#METABOLOMICS WORKBENCH sdasari_20220217_102845 DATATRACK_ID:3097 STUDY_ID:ST002094 ANALYSIS_ID:AN003421 PROJECT_ID:PR001102
VERSION             	1
CREATED_ON             	March 4, 2022, 2:30 pm
#PROJECT
PR:PROJECT_TITLE                 	Commensal intestinal microbiota regulates host luminal proteolytic activity and
PR:PROJECT_TITLE                 	intestinal barrier integrity through β-glucuronidase activity (Part 1)
PR:PROJECT_TYPE                  	MS
PR:PROJECT_SUMMARY               	Proteases constitute the largest enzyme gene family in vertebrates with
PR:PROJECT_SUMMARY               	intracellular and secreted proteases having critical roles in cellular and organ
PR:PROJECT_SUMMARY               	physiology. Intestinal tract contains diverse set of proteases mediating
PR:PROJECT_SUMMARY               	digestion, microbial responses, epithelial and immune signaling. Transit of
PR:PROJECT_SUMMARY               	chyme through the intestinal tract results in significant suppression of
PR:PROJECT_SUMMARY               	proteases. Although endogenous protease inhibitors have been identified, the
PR:PROJECT_SUMMARY               	broader mechanisms underlying protease regulation in the intestinal tract
PR:PROJECT_SUMMARY               	remains unclear. The objective of this study was to determine microbial
PR:PROJECT_SUMMARY               	regulation of proteolytic activity in intestinal tract using phenotype of
PR:PROJECT_SUMMARY               	post-infection irritable bowel syndrome, a condition characterized by high fecal
PR:PROJECT_SUMMARY               	proteolytic activity. Proteases of host pancreatic origin (chymotrypsin like
PR:PROJECT_SUMMARY               	pancreatic elastase 2A, 3B and trypsin 2) drove proteolytic activity. Of the 14
PR:PROJECT_SUMMARY               	differentially abundant taxa, high proteolytic activity state was characterized
PR:PROJECT_SUMMARY               	by complete absence of the commensal Alistipes putredinis. Germ free mice had
PR:PROJECT_SUMMARY               	very high proteolytic activity (10-fold of specific-pathogen free mice) which
PR:PROJECT_SUMMARY               	dropped significantly upon humanization with microbiota from healthy volunteers.
PR:PROJECT_SUMMARY               	In contrast, high proteolytic activity microbiota failed to inhibit it, a defect
PR:PROJECT_SUMMARY               	that corrected with fecal microbiota transplant as well as addition of A.
PR:PROJECT_SUMMARY               	putredinis. These mice also had increased intestinal permeability similar to
PR:PROJECT_SUMMARY               	that seen in patients. Microbiota β-glucuronidases mediate bilirubin
PR:PROJECT_SUMMARY               	deconjugation and unconjugated bilirubin is an inhibitor of serine proteases. We
PR:PROJECT_SUMMARY               	found that high proteolytic activity patients had lower urobilinogen levels, a
PR:PROJECT_SUMMARY               	product of bilirubin deconjugation. Mice colonized with β-glucuronidase
PR:PROJECT_SUMMARY               	overexpressing E. coli demonstrated significant inhibition of proteolytic
PR:PROJECT_SUMMARY               	activity and treatment with β-glucuronidase inhibitors increased it. The
PR:PROJECT_SUMMARY               	findings establish that specific commensal microbiota mediates effective
PR:PROJECT_SUMMARY               	inhibition of host pancreatic proteases and maintains intestinal barrier
PR:PROJECT_SUMMARY               	function through the production of β-glucuronidases. This suggests an important
PR:PROJECT_SUMMARY               	homeostatic role for commensal intestinal microbiota.
PR:INSTITUTE                     	Mayo Clinic
PR:DEPARTMENT                    	Biomedical Statistics and Informatics
PR:LAST_NAME                     	Dasari
PR:FIRST_NAME                    	Surendra
PR:ADDRESS                       	200 First Street SW, Rochester, MN, 55905, USA
PR:EMAIL                         	Dasari.Surendra@mayo.edu
PR:PHONE                         	507-284-0513
#STUDY
ST:STUDY_TITLE                   	Commensal intestinal microbiota regulates host luminal proteolytic activity and
ST:STUDY_TITLE                   	intestinal barrier integrity through β-glucuronidase activity (Part 1)
ST:STUDY_TYPE                    	MS
ST:STUDY_SUMMARY                 	Proteases constitute the largest enzyme gene family in vertebrates with
ST:STUDY_SUMMARY                 	intracellular and secreted proteases having critical roles in cellular and organ
ST:STUDY_SUMMARY                 	physiology. Intestinal tract contains diverse set of proteases mediating
ST:STUDY_SUMMARY                 	digestion, microbial responses, epithelial and immune signaling. Transit of
ST:STUDY_SUMMARY                 	chyme through the intestinal tract results in significant suppression of
ST:STUDY_SUMMARY                 	proteases. Although endogenous protease inhibitors have been identified, the
ST:STUDY_SUMMARY                 	broader mechanisms underlying protease regulation in the intestinal tract
ST:STUDY_SUMMARY                 	remains unclear. The objective of this study was to determine microbial
ST:STUDY_SUMMARY                 	regulation of proteolytic activity in intestinal tract using phenotype of
ST:STUDY_SUMMARY                 	post-infection irritable bowel syndrome, a condition characterized by high fecal
ST:STUDY_SUMMARY                 	proteolytic activity. Proteases of host pancreatic origin (chymotrypsin like
ST:STUDY_SUMMARY                 	pancreatic elastase 2A, 3B and trypsin 2) drove proteolytic activity. Of the 14
ST:STUDY_SUMMARY                 	differentially abundant taxa, high proteolytic activity state was characterized
ST:STUDY_SUMMARY                 	by complete absence of the commensal Alistipes putredinis. Germ free mice had
ST:STUDY_SUMMARY                 	very high proteolytic activity (10-fold of specific-pathogen free mice) which
ST:STUDY_SUMMARY                 	dropped significantly upon humanization with microbiota from healthy volunteers.
ST:STUDY_SUMMARY                 	In contrast, high proteolytic activity microbiota failed to inhibit it, a defect
ST:STUDY_SUMMARY                 	that corrected with fecal microbiota transplant as well as addition of A.
ST:STUDY_SUMMARY                 	putredinis. These mice also had increased intestinal permeability similar to
ST:STUDY_SUMMARY                 	that seen in patients. Microbiota β-glucuronidases mediate bilirubin
ST:STUDY_SUMMARY                 	deconjugation and unconjugated bilirubin is an inhibitor of serine proteases. We
ST:STUDY_SUMMARY                 	found that high proteolytic activity patients had lower urobilinogen levels, a
ST:STUDY_SUMMARY                 	product of bilirubin deconjugation. Mice colonized with β-glucuronidase
ST:STUDY_SUMMARY                 	overexpressing E. coli demonstrated significant inhibition of proteolytic
ST:STUDY_SUMMARY                 	activity and treatment with β-glucuronidase inhibitors increased it. The
ST:STUDY_SUMMARY                 	findings establish that specific commensal microbiota mediates effective
ST:STUDY_SUMMARY                 	inhibition of host pancreatic proteases and maintains intestinal barrier
ST:STUDY_SUMMARY                 	function through the production of β-glucuronidases. This suggests an important
ST:STUDY_SUMMARY                 	homeostatic role for commensal intestinal microbiota.
ST:INSTITUTE                     	Mayo Clinic
ST:DEPARTMENT                    	Biomedical Statistics and Informatics
ST:LAST_NAME                     	Dasari
ST:FIRST_NAME                    	Surendra
ST:ADDRESS                       	200 First Street SW, Rochester, MN, 55905, USA
ST:EMAIL                         	Dasari.Surendra@mayo.edu
ST:PHONE                         	507-284-0513
ST:NUM_GROUPS                    	2
ST:TOTAL_SUBJECTS                	7
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:GENDER                        	Male and female
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	ms5520-3	Group:Case-Low PA PI-IBS	status=case
SUBJECT_SAMPLE_FACTORS           	-	ms5520-4	Group:Case-Low PA PI-IBS	status=case
SUBJECT_SAMPLE_FACTORS           	-	ms5520-5	Group:Case-High PA PI-IBS	status=case
SUBJECT_SAMPLE_FACTORS           	-	ms5520-7	Group:Case-High PA PI-IBS	status=case
SUBJECT_SAMPLE_FACTORS           	-	ms5520-9	Group:Case-High PA PI-IBS	status=case
SUBJECT_SAMPLE_FACTORS           	-	ms5520-11	Group:Case-Low PA PI-IBS	status=case
SUBJECT_SAMPLE_FACTORS           	-	ms5520-13	Group:Case-Low PA PI-IBS	status=case
#COLLECTION
CO:COLLECTION_SUMMARY            	Fecal supernatants (FSNs) were made fresh prior to each experiment. Feces from
CO:COLLECTION_SUMMARY            	patients (0.1g) or mice (1 pellet) was added to 0.8mL of phosphate buffered
CO:COLLECTION_SUMMARY            	saline (PBS) and subsequently homogenized with a pellet pestle for 5-10 seconds
CO:COLLECTION_SUMMARY            	(Sigma-Aldrich, St. Louis, MO, USA). Homogenates were spun twice at 5,000 g for
CO:COLLECTION_SUMMARY            	10 min at 4°C and then added to a 0.22 µm Spin-X tube filter (Corning Life
CO:COLLECTION_SUMMARY            	Sciences, Durham, NC, USA). Samples were filtered at 4°C, 10,000 g for 5 min
CO:COLLECTION_SUMMARY            	and FSN was stored on ice until use.
CO:SAMPLE_TYPE                   	Feces
#TREATMENT
TR:TREATMENT_SUMMARY             	A total of 52 PI-IBS patients defined by Rome III criteria and 38 healthy
TR:TREATMENT_SUMMARY             	volunteers were recruited. Those with a history of abdominal surgery (except
TR:TREATMENT_SUMMARY             	hernia, C-section, hysterectomy, appendectomy or cholecystectomy), inflammatory
TR:TREATMENT_SUMMARY             	bowel disease, microscopic colitis, or celiac disease were excluded.
TR:TREATMENT_SUMMARY             	Additionally, recruited volunteers were not pregnant at the time of the study.
TR:TREATMENT_SUMMARY             	Use of tobacco or alcohol for the duration of the study was prohibited.
TR:TREATMENT_SUMMARY             	Following medications were prohibited 7 days prior to study participation: those
TR:TREATMENT_SUMMARY             	affecting gastrointestinal transit, serotonergic agents, anti-cholinergic
TR:TREATMENT_SUMMARY             	agents, antimuscarinics, narcotics, peppermint oil, antibiotics or new
TR:TREATMENT_SUMMARY             	probiotics. Ingestion of artificial sweeteners such as SplendaTM (sucralose),
TR:TREATMENT_SUMMARY             	Nutrasweet TM (aspartame), lactulose or mannitol was prohibited for 2 days
TR:TREATMENT_SUMMARY             	before the start and during the study. All subjects taking part in the study
TR:TREATMENT_SUMMARY             	were asked to complete the Hospital Anxiety and Depression Scale (HADS) and a
TR:TREATMENT_SUMMARY             	7-day bowel diary. All participants completed the Hospital anxiety and
TR:TREATMENT_SUMMARY             	depression scale (HADS). PI-IBS patients also completed the Symptom Checklist-90
TR:TREATMENT_SUMMARY             	(SCL-90), IBS Symptom severity scale (IBS-SSS), IBS-quality of life (IBS-QoL)
TR:TREATMENT_SUMMARY             	questionnaire as well as the Long Bowel Disease questionnaire (BDQ). Mayo Clinic
TR:TREATMENT_SUMMARY             	Institutional Review Board approved human studies and all participants provided
TR:TREATMENT_SUMMARY             	a written informed consent (IRB protocol: 12-006529; ClinicalTrials.gov
TR:TREATMENT_SUMMARY             	identifier: NCT03266068).
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Fecal samples were deproteinized with six times volume of cold
SP:SAMPLEPREP_SUMMARY            	acetonitrile:methanol (1:1 ratio), kept on ice with intermittent vortexing for
SP:SAMPLEPREP_SUMMARY            	30 minutes at 4C, then centrifuged at 18000xg. 13C6-phenylalanine (3 µl at
SP:SAMPLEPREP_SUMMARY            	250ng/µl) was added as internal standard to each sample prior to
SP:SAMPLEPREP_SUMMARY            	deproteinization. The supernatants were divided into 2 aliquots and dried down
SP:SAMPLEPREP_SUMMARY            	for analysis on a Quadrupole Time-of-Flight Mass Spectrometer (Agilent
SP:SAMPLEPREP_SUMMARY            	Technologies 6550 Q-TOF) coupled with an Ultra High Pressure Liquid
SP:SAMPLEPREP_SUMMARY            	Chromatograph (1290 Infinity UHPLC Agilent Technologies). Profiling data were
SP:SAMPLEPREP_SUMMARY            	acquired under both positive and negative electrospray ionization conditions
SP:SAMPLEPREP_SUMMARY            	over a mass range of 100 - 1200 m/z at a resolution of 10,000-35,000 (separate
SP:SAMPLEPREP_SUMMARY            	runs). Metabolite separation was achieved using two columns of differing
SP:SAMPLEPREP_SUMMARY            	polarity, a hydrophilic interaction column (HILIC, ethylene-bridged hybrid 2.1 x
SP:SAMPLEPREP_SUMMARY            	150 mm, 1.7 mm; Waters) and a reversed-phase C18 column (high-strength silica
SP:SAMPLEPREP_SUMMARY            	2.1 x 150 mm, 1.8 mm; Waters). For each column, the run time is 20 min using a
SP:SAMPLEPREP_SUMMARY            	flow rate of 400 ul/min. A total of four runs per sample will be performed to
SP:SAMPLEPREP_SUMMARY            	give maximum coverage of metabolites. Samples were injected in duplicate or
SP:SAMPLEPREP_SUMMARY            	triplicate, and a quality control sample, made up of a subset of samples from
SP:SAMPLEPREP_SUMMARY            	the study was injected several times during a run. All raw data files obtained
SP:SAMPLEPREP_SUMMARY            	were converted to compound exchange file format using Masshunter DA reprocessor
SP:SAMPLEPREP_SUMMARY            	software (Agilent). Mass Profiler Professional (Agilent) was used for data
SP:SAMPLEPREP_SUMMARY            	alignment and to convert each metabolite feature (m/z x intensity x time) into a
SP:SAMPLEPREP_SUMMARY            	matrix of detected peaks for compound identification.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	HILIC
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Agilent 1290 Infinity
CH:COLUMN_NAME                   	Waters Acquity BEH HILIC (150 x 2.1mm, 1.7um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent 6550 QTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	None
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	raw intensity
MS_METABOLITE_DATA_START
Samples	ms5520-3	ms5520-4	ms5520-5	ms5520-7	ms5520-9	ms5520-11	ms5520-13
Factors	Group:Case-Low PA PI-IBS	Group:Case-Low PA PI-IBS	Group:Case-High PA PI-IBS	Group:Case-High PA PI-IBS	Group:Case-High PA PI-IBS	Group:Case-Low PA PI-IBS	Group:Case-Low PA PI-IBS
(2R)-2-Hydroxy-2-methylbutanenitrile	6330152	153952	1317244	1.43E+07	1437593	101914	2.33E+07
1193.8091@0.998125	85692	136046	169429	75445	73157	84200	114709
11Z-Eicosenal	16071	12696	14236	14165	17227	13764	13196
1209.8038@1.0000937	12663	24482	25228	12478	11510	13062	18068
12-oxo-10Z-octadecenoic acid	57776	191722	242557	516109	68958	58565	73355
13-Docosenamide	18938	21288	22239	19235	20011	21492	20619
13-Docosenamide +1.1372187	117875	179674	531120	443561	352832	203547	163009
17-phenyl trinor Prostaglandin E2 serinol amide	45338	38686	59886	39360	56315	55304	66122
19-methyl-heneicosanoic acid	90373	83468	110427	24683	25637	67300	74194
1-Hexadecylamine	56476	96968	59147	54111	54290	57787	71110
2-(3'-Methylthio)propylmalic acid	19485	42586	35174	141277	196971	38381	51454
2,5-Dichloro-4-oxohex-2-enedioate	448414	454234	447872	478450	474269	475630	464835
2-Amino-2-methyl-1-propanol +5.436218	383297	386835	399751	420186	389124	396337	370033
2E-hexenol	1.04E+07	1.04E+07	1.03E+07	1.06E+07	9741979	1.08E+07	1.09E+07
2'-Hydroxy-2,4',6'-trimethoxychalcone	9885	13384	12074	15908	11126	8855	12881
2-oxo-heneicosanoic acid	17411	14310	16412	15192	15771	13154	17185
2R-aminoheptanoic acid	385368	1890229	236268	44522	77500	53251	26296
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid	80598	97821	102281	108780	79212	85903	154537
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.2441562	65605	66794	123750	24945	240120	107877	1018184
349.3191@1.1501563	40988	35836	41418	170796	66142	60848	40490
3-Acetamidopropanal +6.534374	92444	222393	108744	68882	286589	136630	228121
3-ketosphingosine	29725	32150	28348	25751	28009	24356	29737
3-Methylamino-1,2-propandiol +6.059719	61476	78298	64282	56165	63976	61260	70337
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol +7.599687	3071110	1484546	5310064	262042	748973	966337	378877
4-Methylaminobutyrate	99621	162820	115945	228259	131082	69208	160827
521.5896@3.6069686	81746	77784	93186	84004	78098	81967	80467
89.9692@5.6931877	264874	267510	262208	271405	272794	268774	276538
9,12-dioxo-dodecanoic acid	93766	84208	149568	211744	81772	85042	134030
Acetophenazine	67815	86521	103920	49375	204085	31992	241171
Acetylcholine	1340902	604473	6585780	2.10E+07	4121555	2250191	2.62E+07
allopurinol	505561	1382848	1435730	748777	2005396	1090332	1611464
Ascidiacyclamide	45134	26229	55175	41828	36146	45023	38308
Axisothiocyanate 3	27607	48103	45421	46743	25810	19994	32711
Bis (2-hydroxypropyl) amine	5768873	1.43E+07	5608807	1.18E+07	6424047	2209442	6593902
B-Octylglucoside	36527	37027	34406	33032	48133	34528	46659
C10 H2 N3 O	66680	48359	58849	57912	55832	47361	40286
C12 H2 N2 O12 S2	88374	89784	91746	91203	94041	84957	90185
C12 H26 O3 +1.1431875	74748	98715	70197	67433	82790	87857	78977
C12 H26 O5	245165	247452	276677	284531	232016	163731	272495
C12 H27 N	28868	29918	32376	29581	28284	30272	30702
C13 H25 N O2	62046	83891	129203	136744	194217	123478	80933
C13 H25 N O2 +1.2380625	207899	318827	164096	148798	414946	268092	160205
C13 H25 N O3	41854	54448	92012	86777	107674	85031	55903
C13 H28 S2	36173	69637	77485	65954	28171	20198	54584
C13 H29 N	86087	43081	23858	22878	29355	23141	25425
C14 H2 O8 S2	91101	92376	89887	90203	95682	94086	90782
C14 H30 O3	243438	193668	85536	83944	140407	483378	203633
C16 H26 N4 O	25551	23724	26684	26084	36641	22057	28174
C16 H34 O3	65975	53119	58800	69925	78932	102218	78841
C16 H34 O4	312794	204856	105089	82958	129394	629730	184733
C17 H36 O3	121395	95741	124211	176954	138975	157686	139614
C17 Sphinganine	17748	15370	16940	17273	19287	16185	17027
C18 H37 N O4	321877	1448408	1755309	3973294	453765	373496	562427
C18 N O19 S	53039	57551	61462	60275	62837	12186	54763
C19 H39 Cl N5	65733	58096	57174	91644	74369	55034	58806
C20 H41 N O5	41950	244987	308819	1695164	70483	29230	35459
C21 H43 N8 O7	459347	208629	65821	96179	15983	20151	211804
C23 H41 N	31820	73672	35920	34741	28285	32166	35749
C23 H47 N8 O8	332706	215093	52103	101869	15494	17643	206032
C24 H47 N O	14416	14039	15203	12199	13287	13196	13888
C25 H45 N	20663	43161	18915	19615	17662	22472	21812
C25 H51 N8 O9	231016	180176	44949	106268	14828	16663	168592
C26 H17 Cl N7	29636	25018	23952	108799	137513	25327	36348
C27 H36 N14 O5	1253486	1399723	1532425	1215487	1106097	1253862	1462114
C27 H55 N8 O10	148593	128521	34149	109756	10819	13489	113675
C29 H43 N15 O5	54380	54742	74514	70180	64475	91267	108653
C30 H43 N2 O S	10372	8516	9102	9362	9859	7942	8580
C38 H79 N	726461	722234	753966	752211	717948	640541	699653
C43 H79 N11 O4 S	25351	18994	20234	22276	23306	17939	19416
C44 H32 Cl N2	24229	28401	20462	28079	30014	21731	19549
C47 H28 Cl	48659	56523	48324	160324	203919	48350	65457
C47 H56 N3	25492	38100	12849	13160	27167	13527	19866
C5 H11 N6 O	140354	157450	146478	156599	150115	160093	162659
C56 H36 Cl S	29356	26065	34186	94393	100415	27209	36676
C6 H14 O4	237296	162365	135558	162754	230367	208776	161593
C8 H18 O3	29086	123388	31501	58844	28989	25559	41583
C8 H18 O5	246655	242449	206763	212423	245654	134582	216668
C9 H20 O4	117410	115480	71159	64919	107709	108455	94574
Camptothecin	41939	40706	35056	132494	176527	35933	48435
Cassaidine +1.2145312	37716	10788	15056	12061	39440	26252	78055
cis-Caryophyllene	177487	767009	909724	2034756	262517	221795	325632
DG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	23603	17967	19624	18456	21994	16705	17485
DG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]	618862	491407	569053	559719	558822	474371	495781
DG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	14388	15394	13398	15203	15457	15655	17732
Diisobutyl phthalate	57435	82722	67535	98550	40538	38603	53065
DMPO	154780	203440	179221	266608	242949	278289	294567
Homochelidonine	18911	15958	20698	17025	20816	18155	23077
L-Alanine, N-propyl-	519072	906085	479057	649836	546451	218532	567843
Linoleamide +1.2476562	39371	40289	36902	33242	36530	36425	37738
Methacholine	4406675	3414227	8885955	1.19E+07	4340352	2503431	3928088
MG(0:0/18:0/0:0)	152373	127446	134964	131820	130245	125285	109280
MID42021:(22E)-26,26,26,27,27,27-hexafluoro-25-hydroxy-22,23-didehydrovitamin D3 / (22E)-26,26,26,27 +1.3370001	47840	35809	21914	47865	99223	40743	68851
N1,N4-Diacetylsulfanilamide	12397	10572	16287	13386	13237	11800	16289
n-Butylbenzene	52422	197317	228254	498202	66561	58863	83278
Netilmicin	626480	174400	76952	88292	19585	21491	198781
Pantothenic Acid	468346	125609	270383	224348	166254	183979	394131
PG(12:0/15:0)	11452	13411	22453	11515	9255	15181	14897
PG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	91311	87467	158643	63884	82753	69318	80322
PI(22:0/18:3(9Z,12Z,15Z))	11217	18677	24324	8707	9510	12763	16666
Pirimicarb	135637	75096	42327	71840	49913	40225	58164
Tetradecylamine	89922	101867	84117	69301	61334	62036	72813
Tributyl phosphate	127164	137465	124340	150797	146313	150645	161855
?-Hexalactone	122223	110887	58094	82960	92132	86252	7582
1,4'-Bipiperidine-1'-carboxylic acid	29688	17699	138193	306503	434389	1	444062
1-Hexadecylamine +4.050226	23201	20123	17590	15608	14954	15099	14641
2-(1-Aziridinyl)ethanol	614613	633955	625849	722633	518408	720168	649111
2-Amino-3-methyl-1-butanol	57084	106874	265682	124824	241540	63953	364036
3-Dehydrocarnitine	50846	137534	99899	1	47678	32482	61429
4-Amino-2-methyl-5-phosphomethylpyrimidine	79217	87446	76489	75835	71918	75712	77917
697.2474@1.0147418	18695	30756	23586	36366	20833	18169	18948
Arabinosylhypoxanthine	38967	23664	94859	33898	199868	31668	153181
C12 H24 O S	30431	30589	46672	31319	38208	57436	30404
C12 H26 O3	8229	11336	14496	48131	7069	14687	5895
C20 H41 N O4	14443	50387	62918	153169	32163	20430	39519
C28 H38 O10	19314	13979	18384	11950	14331	13602	15032
C30 H65 N14 O2	5762	13641	13268	21241	8374	11801	10667
C4 N O4 S	164424	169669	162431	167679	166279	174542	176351
C40 H36 Cl N5 O S2	40078	45915	49400	131848	149904	45661	52904
C42 H80 N3 O3 S	7908	6049	7233	6629	6615	5093	5406
Chloromebuform	20322	34899	20448	17869	22316	26976	21485
Conhydrine	384834	361970	357047	408923	382361	178322	352302
cyclohexylammonium	99069	97779	98971	104872	99756	104895	92903
Dihydrojasmonic Acid, Methyl Ester	27710	1	28145	32199	25451	27347	29720
E-64	17888	18829	13679	15015	16008	9324	20354
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate	691185	665320	1425198	779048	896506	818297	958617
l-2-hydroxy-decanoic acid	44372	57820	36049	23738	35372	24619	35439
Linoleamide +1.1988064	22086	22572	17720	20250	22134	17342	13123
Lumula	34480	33632	10114	34083	186424	21413	80583
Lys Glu Gln	6742	6797	6653	7612	6017	7823	8980
MG(16:0/0:0/0:0)[rac]	18751	13405	15632	23276	17618	16963	14416
N-methylundec-10-enamide	82667	108903	35370	50264	57049	74482	62077
Oleamide	40452	40576	30778	23190	41477	29124	1
para-Benzoquinone dioxime	80346	292490	303148	43733	1	430981	217301
Perflubron	65275	66873	67810	72918	74111	67925	69376
PG(12:0/17:0)	96709	1	156510	94645	90055	124102	121690
Poloxalene	21694	23996	13946	18760	19593	11933	19647
Stearamide	27181	26015	27272	23055	26745	29777	27694
Zopiclone	12428	11324	9338	44769	52631	9907	14125
(±)8-gingerol	18161	10768	13226	9970	81280	35297	113246
10-keto stearic acid	1	10283	9726	14110	5162	8458	15138
1-Octadecanamine	16321	16142	13475	13321	13527	14456	11438
3-(6'-Methylthio)hexylmalic acid	45583	95155	188976	53333	110320	1	69239
4'-Hydroxytrimethoprim	57774	60209	24390	1	39716	39237	44355
allopurinol +3.0236669	59466	1	142113	62239	283424	45653	205327
C10 H16 N4 O	22188	21267	32052	23257	15354	1	20987
C15 H24 O6	11385	103158	13970	61804	11466	73930	63078
C17 H29 N O	1	16673	12975	17362	11205	16162	16939
C21 H45 N	19519	21817	27575	22462	22416	25336	23679
L-Alanine, N-propyl- +6.9719	2555235	117217	84874	3327514	177292	25860	5316911
Methyl acetyl ricinoleate	43999	34106	40278	43245	60643	31959	37461
MID42019:26,26,26,27,27,27-hexafluoro-25-hydroxy-23,23,24,24-tetradehydrovitamin D3 / 26,26,26,27,27	10930	7349	10981	1	11035	14275	21653
Phosphodimethylethanolamine	258721	685969	59581	30696	176346	122690	113127
Picolinic acid	305008	564006	557518	843660	1101636	469798	1079660
trans-2-Phenylcyclopropanecarboxylic acid	14584	24415	13493	9016	11247	20050	18930
Xestoaminol C	23722	34937	17013	15669	18942	26739	10515
1107.9247@1.1070689	10444	1	7728	10945	10444	1	6738
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.2442415	9292	7473	13470	1	27133	13776	93891
Apigenin 7-rhamnosyl-(1-6)-(4''-E-p-methoxycinnamoylglucoside)	56358	25721	30490	28308	58628	26732	25125
Benzoylagmatine	23221	23174	11805	1	17076	25492	20924
C11 H21 N O2	27467	30864	16009	1	35904	23180	15444
C13 H20 N4	11817	1	9811	13541	14982	13439	14036
C21 H2 O26 S	54734	54965	55577	56122	55027	46185	54524
C21 N O21 S	52822	55991	1	58144	58497	36998	52587
C22 H23 N14 O9	6047	33518	8979	6069	1	7904	8400
C24 H2 O28 S	50416	46759	50118	54495	51405	23198	48979
C54 H52 Cl N2 O2 S4	16071	1	21500	41126	37247	11837	13907
C59 H42 Cl S2	18880	18568	1	73315	56468	17376	24369
C7 H2 O11 S	54275	56204	47223	54329	54788	57044	52251
CAY10583	9481	6976	9163	1	7740	7840	7972
Celiprolol	15351	14002	1	12307	10340	11088	17903
Deoxymiroestrol	11253	12377	11338	8612	13658	1	9980
DG(20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z)/0:0)[iso2]	185254	142067	1	161348	163619	141557	146164
Glycyl-L-leucine +7.7197585	35436	38118	99871	52627	55400	17007	1
n-Pentadecylamine	20595	15851	10659	9680	9874	6665	8514
RO 40-5966 (Methylmibefradil Metabolite)	12154	13584	11274	1	9100	8029	16107
TG(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z))[iso6]	36384	36885	36127	35731	20816	19119	36112
trans-3-Aminocyclopentane-1-carboxylic acid	180128	4618914	373839	172933	58175	59286	118479
(+)-3-hydroxy pelargonic acid	40408	1	28595	16765	20564	14798	29213
1,2-Dimethoxy-4-[2-(2-propenyloxy)ethenyl]-benzene	125376	55247	111583	10490	120965	162552	87575
11Z-tetradecenoyl-CoA	8289	5976	14479	23077	19491	7603	8267
12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic acid	5541	18121	12919	16218	8921	14222	1
2,3,5-Trimethacarb	804696	824561	813332	825029	870811	803177	742818
3-hydroxy-dodecanedioic acid	1	39686	36360	33373	21031	15128	34972
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol	1424834	115709	44927	36794	425028	135255	14109
5Z,9Z-Tridecadienyl acetate	25209	25271	25352	18058	21221	5802	24727
beta-D-Glucosyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol	13619	13907	14160	1	13971	14075	14826
C13 H14 N2 S	29023	52125	24264	17244	17968	14663	35236
C17 H37 N	1	27900	31242	25106	30216	39702	35866
C18 H38 O4	38733	14305	11239	150566	15483	8698	1
C29 H57 N O6	24039	12185	8626	5534	7789	20097	6915
C29 H59 N8 O11	74242	71202	23620	76830	7599	7548	58421
C31 H36 N15 O4 S3	1	6324	6909	25593	26947	5933	6716
C49 H76 N4 O4	93734	60418	6886	73583	1694901	41317	409921
C58 H34 N4 S	7431	7183	11539	8519	11726	12724	8590
Epothilone C	6536	8093	8763	6135	6197	8576	6695
Immepip	107174	104178	107323	112090	1	1	99718
Istamycin C1	727566	1	60724	74674	20807	22486	154370
N-Hydroxy-L-phenylalanine +7.1315002	9675	54707	15239	1	10706	8282	28649
Piperidine	1	112795	52630	96581	58933	1	56794
(4E,8E,10E-d18:3)sphingosine	64105	66509	66305	54432	72531	55903	72457
1,2-Epoxypropane	33593	36364	28819	29213	1	27216	32144
1109.7804@5.6969256	25286	23753	24283	1	26707	15737	24837
1177.7673@5.6957407	1	19747	21385	20917	19575	9334	20279
1245.7544@5.6949635	1	17905	16707	17744	19544	18730	1
2-Amino-2-methyl-1-propanol	49914	82321	45004	60846	54359	1	52464
5beta-Chola-3,8(14),11-trien-24-oic Acid +1.2441483	8688	6648	8877	1	19146	7218	59068
771.2661@1.0147778	8718	7724	9666	15207	13152	6852	7730
7-Oxoheptanoic acid	68771	56776	33322	71973	35394	11447	294318
Betaine	739486	96976	687984	1391369	365688	1	3477713
C12 H26 O7	193979	48172	31250	61803	36738	1	51851
C13 H27 N8 O3	1	31328	24168	42706	23452	1	51202
C15 H32 O3	7440	8598	6553	6529	6988	11644	1
C19 H42 Cl N6 O2	9309	13480	8604	1	11747	8903	1
C40 H83 N	24108	23765	23710	21980	23321	20317	22542
Cassaidine	11290	12181	17555	16346	20609	19158	9978
Di(2-ethylhexyl) adipate	13409	10668	13138	15253	13647	8878	11493
Ectocarpen	9314	32678	39597	93296	1	1	19266
Hexylamine	25774	31795	23233	20649	1	24266	28379
N-Nitrosodiethylamine	1	1	74136	69544	62172	60455	68584
Octanoic acid, 3-amino-, (1)- +10.194593	41378	37233	39651	38429	44796	19976	1
PG(12:0/19:0)	1	6068	9725	5754	6489	8791	9303
THA +1.335815	27006	21486	8283	22480	200697	17380	72805
Trilauroyl-glycerol	11650	16130	6673	6058	13341	14994	6750
1041.7928@5.690307	29616	29947	1	31956	24899	1	29729
18-hydroxy-9R,10S-epoxy-stearic acid	12352	36301	46082	89927	29971	1	10486
2-oxo-dodecanoic acid	18406	1	1	12513	25991	16287	47388
4E,9Z-Tetradecadienal	33504	95099	108870	199981	1	27524	75427
4-Oxovalproic acid	13520	34854	16788	34296	16280	8322	18469
979.2696@1.0283461	86438	49067	24414	30301	1	42861	52911
all-trans-hexaprenyl diphosphate +4.5815387	498590	243391	24218	81802	1	10646	177744
Anandamide (20:2, n-6) +1.1666154	18656	26209	25802	22663	25223	20682	14235
Betaine +6.535154	961391	254559	1304265	1	291394	789440	1
Bisacodyl diphenol	1	15193	12329	6625	8080	10575	1
C14 H34 N3 S2	1	42974	56234	37381	41432	13275	36540
C29 H2 N2 O29 S2	39506	39484	15534	39975	39426	20938	36794
C33 H34 N8 O3 S3	69443	32505	33492	37561	1	32636	23536
C43 H34 N3 O3 S2	8495	1	1	25912	29036	1	9937
C9 H18 O4	23097	15563	1	1	14681	14847	17435
Capsi-amide	19153	26132	1	1	19720	35461	29157
cis-Zeatin	30911	111804	1	40936	885517	1	116099
decanamide	14695	15689	12870	9236	15297	1	10221
Diethylene glycol	49909	35329	45956	15521	53545	55252	38708
Gabapentin +1.3032693	110797	1	81955	51223	149444	34611	61540
Gly Val Trp	17577	14987	1	1	10670	44513	1
Remikiren +4.86423	445412	215443	24299	92431	1	5413	147542
Spectinomycin adenylate	318725	194206	190692	198482	342730	166543	105417
27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol	1	16404	13590	30333	1	11190	8658
2-Pentacosenoic acid, 2,4-dimethyl-	1	19293	29200	26327	55424	38282	25092
4-Heptyloxyphenol +1.1393203	1	17444	301517	286500	406243	283397	18714
Bifenazate	27896	11864	286637	13162	22967	1	102235
C10 H24 N8 O S	11075	12031	263691	1	8572	14472	29774
C18 H38 O3	8497	10190	5663	16731	1	15296	9980
C26 H58 N23 O2	19300	1	12986	16223	16694	7382	1
C8 H4 O3	35045	58301	39719	54819	25522	27993	40321
C9 H12 N	1	21541	1	13047	18492	10439	14821
Dipropetryn	124774	55362	111443	1	117863	157098	83796
Fluvoxamine	88149	20644	47896	44580	39940	1	920853
Halaminol A	19196	20328	17325	18603	1	19356	22291
Isocarbamid	7251	51240	1	7858	10011	11532	16325
L-Histidinol	1	14685	971964	37069	1	37284	163966
L-prolyl-L-glycine	1	185892	160924	729727	273791	19612	105334
Mesobilirubinogen +5.965881	273530	8959	39540	1	335296	43677	780245
Triphenylphosphine oxide	15895	21791	9878	7626	10083	1	21781
Ursodeoxycholic acid 3-sulfate	11697	10226	7372	1	1	7072	11333
Victorin C	107817	1	42182	58328	89380	47293	1
2,4,6-Trimethylacetophenone imine	33149	1	30964	26223	1	29669	32283
3-Methylamino-1,2-propandiol	1	37480	34396	1	44510	39576	42069
7(Z)-Pentacosene	9845	6140	10200	1	5116	44203	1
Azafenidin	5348	1	1	18463	28061	1	6970
b-D-Glucopyranosiduronic acid, 6-(3-oxobutyl)-2-naphthalenyl	7903	36382	25807	1	1	5838	20081
C11 H28 N4 S	13446	17203	10461	1	1	20588	23743
C25 H31 N	11741	12676	9335	1	13964	10398	13569
C31 H26 N12 S2	1	1	7488	24570	28354	1	8211
C34 H35 Cl2 N14 O S	220610	130582	143424	136606	189702	118975	96894
C48 H56 Cl N O4 S5	76794	46822	26297	1	59177	34857	36069
Dibutyl succinate	10631	10618	12034	12135	1	1	1
Fibrin	41484	1	1	1	48874	47301	110399
Gln Gln Ile	18295	8668	17277	1	19766	28815	13833
Hemigossypol	47725	17125	39604	1	43087	57720	29376
Lauryl hydrogen sulfate	25335	13988	27827	1	34237	49483	35110
N?-Acetyl-L-arginine	19190	1	36862	1	22687	9863	1
Oleoyl Ethyl Amide	15916	9145	13670	1	15565	20669	13433
Piperidine +8.457042	1	666457	397072	89668	80069	48550	133705
Stearidonic Acid methyl ester	9860	1	1	17236	27043	39725	30410
Tromethamine	1	69147	61297	1	1	52336	50906
?-Glutamyl-?-cyanoalanine	1	1	13373	11168	16105	12155	46467
14-Fluoro-11Z-tetradecenyl acetate +1.0993912	24960	36259	26451	1	17714	28658	24609
4-(Trimethylammonio)but-2-enoate	234268	16522	25075	490126	130136	79134	638013
4-Fluoroaniline	50116	23151	50908	1	46696	71657	35951
7-Methylthioheptanaldoxime	1	25152	17494	18696	17489	1	17248
8-methylcaffeine	5858	18889	1	12958	13302	15462	16823
Atorvastatin Metabolite(meta)	9934	7256	1	8241	20850	6794	16279
C16 H31 N O2 S2	17958	15048	1	1	9728	38877	13002
C17 H24 N2 O4 +1.9560437	56913	25055	1	1	24134	12472	149117
C20 H35 N15 O3	9537	6961	1	6702	1	1	9283
C24 H49 N O13 +4.2517824	449741	223444	19367	57261	1	1	183361
C26 H2 N2 O27 S2	47160	45111	45106	46764	47488	1	43174
C27 H53 N O S2	1	10291	14662	27696	1	1	8974
CB-13	6294	7475	21343	5005	1	5212	18694
Dehydroandrosterone	1	1	14233	10921	1	9439	57909
His Pro	26489	1	1	23902	1	24659	30069
Hymenoflorin	12300	9206	26030	15262	18528	7600	19699
Isoguanosine	1	1	21884	8806	50292	1	69674
L-Urobilinogen	12604	1	1	1	336979	231750	72194
Lys Lys Met	25613	33840	20182	61367	1	6775	15533
Mephenesin	13178	12780	23673	23229	1	8394	17872
Obtusilic acid	29535	39494	31427	15057	33584	1	1
Octanoic acid, 3-amino-, (1)-	68133	13718	44564	137288	46510	1	69212
PG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	10321	8359	18039	8593	10505	7724	1
Secnidazole +6.6741304	1	25764	74659	14523	1	24630	21249
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid	12414	1	21056	33076	9198	1	10156
10-Deacetyl-2-debenzoylbaccatin III	16455	1	15801	1	1	11277	1
2-(Octylthio)ethanol	18020	1	37662	39171	53809	37975	1
2-amino-14,16-dimethyloctadecan-3-ol	10817	9919	9752	1	1	7325	9314
5-Hydroxydopamine	1	12828	1	1	1	8692	33868
5-Hydroxyectoine	19234	34789	48539	40931	44101	1	129136
AGC	19571	11468	21437	1	1	24625	18032
C11 H22 N4	49753	33487	1	1	46804	21065	42462
C12 H32 N7 S	15064	1	1	25150	17008	8767	1
C14 H36 N13 O5	17130	22575	18020	48241	1	1	1
C17 H24 N2 O3	1	1	336108	1	12710	19447	1
C22 H52 N26 +4.9335904	17243	25709	26197	28996	27175	20364	22444
C9 H21 N O S	25465	24323	1	1	1	32437	1
CAY10598	29247	31442	16155	51859	1	1	23511
Diallyl Sulfide	36662	18060	38151	1	34962	47847	25072
F4-Neuroprostane (7-series)	48881	55567	20998	68953	1	1	26400
Fluvoxamine +2.091909	40227	19394	59080	66777	33495	1	538690
Gln Lys Ile	1	42885	37771	57284	22913	20637	98734
I-Urobilin +5.992819	249835	1	190975	290057	264825	10766	1962869
Limonene-1,2-epoxide +1.141909	1	41156	54135	83828	20310	1	1
MRE-269 +1.325591	28911	5351	61666	16365	130393	1	117367
N-arachidonoyl alanine	8003	29641	1	42567	1	1	1
N-Nitrosodi-n-butylamine +5.868181	43762	5240942	1085487	192001	438505	1	922184
Palmitic amide	1	18541	18551	30728	22217	32202	18967
Retinoyl CoA	1	1	12030	13281	1	1	5875
Syringolin A	6594	14171	12539	27464	10040	1	1
(+/-)-6-Hydroxy-3-oxo-alpha-ionol	1	1	20829	26208	6296	1	15991
26-Hydroxybrassinolide	43115	7268	1	35615	9057	5016	14899
2-Methylbutyroylcarnitine +1.2622858	1	35309	60813	108352	1	1	38767
2-oxo-docosanoic acid	11609	21792	10031	1	25973	22879	1
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid +1.1826668	1	1	6324	1	1	27977	59655
3-Methylamino-1,2-propandiol +6.5626197	1	43515	35226	45066	36671	26307	46382
4-Heptyloxyphenol	124916	164128	1	1	1	1	164054
Acetylenic acids; 10-Heptadecen-8-ynoic acid, (E)-; Pyrulic acid	6244	10115	10764	12071	7328	1	1
C10 H20 N4 +9.393856	1	1	1	141811	126866	67342	127486
C14 H28 Cl N3	12707	1	28902	34605	6497	1	16194
C17 H31 Cl3 N6 O16 S	1	17635	81187	77259	70036	23006	1
C20 H24 N O3	20121	1	20280	1	15515	40098	7718
C22:2n-9,17	18799	28181	21640	1	35903	1	1
C24 H52 Cl N3 O2	9449	6302	7842	1	7386	1	1
C27 H55 N S2	1	12674	12176	13268	1	7499	7590
C34 H19 Cl N4	151609	12580	1	29213	74624	1	1
Cyclocreatine	52194	132309	1	9805	38164	1	1
dodecanamide	10042	14497	15888	11177	1	14912	10376
L-Alanine, N-propyl- +5.9496665	1	1	30966	1	62680	36634	69072
Mesobilirubinogen +1.4568094	29976	1	104368	23205	1	21347	1845343
MID42251:24,24-difluoro-1?,25-dihydroxy-24a-homovitamin D3 / 24,24-difluoro-1?,25-dihydroxy-24a-homo	15854	15931	16785	34674	1	1	1
Oxandrolone	9112	1	1	1	27615	29860	38323
PE(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	12015	13359	6805	24814	1	1	9958
Powelline	22264	1	140797	11253	17397	1	58634
Spirolucidine	6285	8149	12589	8380	15030	15022	1
Tricaine	1	1	20414	54654	47810	21648	45096
Trolamine	1	33263	31741	30143	1	19342	33715
W123	1	16554	50938	1	1	120824	10482
(S)-Piperidine-2-carboxamide	1	94466	73967	111434	1	50994	80487
1-(3-Aminopropyl)-4-aminobutanal	95655	1	1	219594	1383501	1	1
12-oxo-10Z-octadecenoic acid +1.092	6963	1	1	10017	11224	10358	6530
1449.7152@5.69315	1	8742	9489	9242	9013	1	8840
2,4-Diamino-6-hydroxylaminotoluene	36243	183653	178557	120734	97530	1	629137
2'-Deoxyuridine	15506	23408	38469	1	26012	1	1
537.1402@1.03315	1	1	1	13686	1	8990	1
609.1769@1.0228502	254817	46527	48057	51170	173933	38455	29779
6-nonenal	1	1	1	1	1	18568	15463
6-Oxocineole +1.26005	5355	1	14560	19597	16886	10869	1
7Z-hexadecen-1-ol	10991	15209	1	1	11585	10875	1
8-tridecynoic acid	1	32221	25248	13931	28434	1	1
Arborinine	19849	1	19169	1	61104	1	140721
Boc-Asn	1	204432	1	1	108150	19786	1
C13 H19 N8 O	10658	1	18095	7862	1	1	1
C16 H23 N2	1	61039	31086	39946	75773	35370	35157
C36 H26 Cl N2 O2	40028	43062	38971	147438	190496	37357	55919
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate +1.15105	543984	464074	1	1	1	1	1
Gly Asp Arg	11033	7904	1	1	5276	29198	7045
Lys Phe Gln	28152	1	9076	1	56824	7379	28794
Pargyline	22097	40883	19270	33134	24301	1	27010
PE(18:3(9Z,12Z,15Z)/14:0) +5.02965	1	22103	24946	22764	1	13115	20664
PI(15:0/18:4(6Z,9Z,12Z,15Z))	7679	1	1	5422	42010	1	18240
Piperidine +5.1966996	40007	358443	114454	8497	15100	20816	1
Pyrimidodiazepine	24078	9778	28971	1	1	1	29559
(24S)-1?,24-dihydroxy-22-oxa-20-epivitamin D3 / (24S)-1?,24-dihydroxy-22-oxa-20-epicholecalciferol	14362	16483	14885	1	1	19781	40214
1127.3062@1.0661052	1	1	1	22675	30059	18656	29393
11-Ketoetiocholanolone	13191	1	1	1	1	19950	73307
11-Methyl-9Z,12-tridecadienyl acetate	1	72987	1	119492	1	1	1
15(R)-15-methyl Prostaglandin A2	1	10844	10031	9610	7506	6268	8659
3-hexenedial	1	22428	1	1	1	22394	18653
6,8-Dihydroxypurine	1	32438	1	1	13504	21559	20668
710.0627@2.3228424	17112	108378	1	1	84232	40854	37236
7-nonynoic acid	1	1	1	25305	36627	28421	1
C10 H23 N3 O	10984	1	142431	59618	232680	1	18305
C12 H23 N O2	11041	14783	10229	1	20645	10479	1
C14 H17 N8 O	18202	5280	1	1	14278	14101	34316
C20 H22 Cl2 N9 O16	121085	1	30873	18249	102862	17815	33892
C30 H61 N O16	322535	157965	23188	87990	1	1	95158
C6 H15 Cl N2	26047	36877	25697	97292	27600	1	1
Carnitine	1	1	60176	41273	1	31811	1
Cymather aldehyde methyl ester	1	61714	111633	188125	1	1	1
Dihydroxycarteolol M2 +2.9596314	19258	1	1	1	20296	1	35386
Gabaculine	1	46370	1	1	1	1	29778
Metergoline	145102	68822	24649	84991	1	1	34255
MRE-269	27603	1	35209	1	81241	1	58070
Otonecine	10047	1	15538	8693	10846	1	21842
?-Hexalactone +1.1411667	12280	18263	15243	5219	1	9118	18078
10-Deacetyl-2-debenzoylbaccatin III +1.1528888	1	7199	11668	7094	7477	1	11133
17beta-Hydroxy-7alpha-methylandrost-4-en-3-one	9129	1	26677	18862	1	1	1
2-Hydroxyfelbamate	1	21440	48772	1	29045	1	18193
3-Acetamidopropanal +2.0993886	1	1	77914	110574	378475	1	54819
3-Acetamidopropanal +2.5709996	298304	46465	27911	377419	31413	1	81487
3-Oxo-5beta-chola-7,11-dien-24-oic Acid +1.1821666	6018	1	1	1	1	5710	10612
4-(Trimethylammonio)but-2-enoate +6.6723886	1	17430	1	1	1	1	38444
5-Methoxytryptophan	1	24358	7781	9864	16824	1	14443
710.0625@2.2535	130186	1	1	96215	1	40868	1
7-nonynoic acid +1.3032776	11700	191077	7954	1	16628	1	1
7-Oxoheptanoic acid +6.545166	1	13356	27409	1	36839	1	1
alpha-Methylstyrene	1	27487	40099	32185	1	10454	16608
Betaine +6.2143884	1	1	1	1	51340	26953	61611
C11 H29 N4 O2 S2	1	16128	1	1	16153	9423	1
C21 H37 N	1	1	9590	9131	10660	22075	10054
C25 H47 N11	9538	10458	10586	21602	1	1	1
C31 H46 N O5	30760	6660	1	18013	23218	1	14926
C40 H25 N O2	5646	1	1	1	17790	1	1
C7 H10 N2 O2	31508	139157	361747	1	1	83621	1
C8 H2 Cl2 N S2 +2.3795	1	1	1	7073	1	6720	1
CAY10621 +1.2436666	1	1	1	1	1	1	14598
Cefpodoxime proxetil	1	1	1	8718	15735	1	1
Coniine	1	11561	1	13321	1	10279	13679
Crassin Acetate	137548	66349	14103	45324	1	1	38665
DG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] +1.1077223	1	1	1	40581	44642	48909	45810
Diacetyl	1	1	112663	307125	101623	1	280468
Dinotefuran	1	13006	102622	1	1	36541	19530
Echitovenine	30857	17199	1	1	1	12623	1
Mequitazine +3.5794995	19323	1	15319	7787	32993	1	95502
MG(22:1(13Z)/0:0/0:0)	1	7532	13246	8264	9105	5358	1
Mitragynine	14714	13843	1	1	8528	13260	1
Nicotinate D-ribonucleoside	28001	39700	268085	51566	247868	1	152240
OTK	45298	41303	12480	48504	1	1	33740
Palmitic amide +1.1666669	11396	1	1	8957	1	1	1
PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	96571	45776	8643	44828	1	1	22594
Streptamine 4-phosphate	1	1	1	10124	16616	1	1
Symphytine	161277	84578	20305	79762	1	1	43121
Thromboxanoic acid skeleton	1	14933	15019	75688	1	1	1
trans-2-Phenylcyclopropanecarboxylic acid +1.0668889	1	11565	8919	9709	1	7057	9626
(E)-2-Butenyl-4-methyl-threonine +1.5274118	32311	38937	28317	25740	1	32076	1
1,8-Diazacyclotetradecane-2,9-dione +6.753293	1	1	45356	71121	74157	1	135838
1053.289@1.0432353	40652	1	1	1	1	39616	1
1145.3177@1.0061766	1	1	1	8353	1	1	1
1-Nitro-5,6-dihydroxy-dihydronaphthalene +1.6002351	12199	36638	140273	1	1	31926	1
2-Benzimidazolylguanidine	35665	105812	1	27502	30775	32680	1
2-Hexynoic acid, 6-hydroxy- +7.239529	1	1	1	112859	188330	1	1
3-Hydroxyisovalerylcarnitine	16056	1	6312	1	1	1	18528
4-Vinylcyclohexene	1	1	1	46170	1	1	1
6E-Dodecen-1-ol	1	10826	12304	1	14448	1	12904
6-Imino-5-oxocyclohexa-1,3-dienecarboxylate	1	1	1	1	1	1	6202
9,10-epoxy-13-hydroxy-11-octadecenoic acid +1.2173529	17135	1	5189	1	8648	11142	1
9E,11-Dodecadienal	1	17934	1	28607	48408	1	22825
9Z,12E,15Z-octadecatrienoic acid	8482	1	1	27344	18728	6706	12364
Brosimacutin B	11055	12575	11528	1	10795	12514	11940
C12 H27 N4 O3	1	1	1	1	16429	20147	1
C13 H38 N9 O9	58384	28416	16215	63282	1	1	11839
C18 H32 N2 O3	1	23879	1	5354	11816	1	1
C19 H39 N O4	1	1	10528	23775	1	1	1
C31 H58 N15 O3	1	11781	11960	1	10434	1	11548
C31 H59 N8 O12	188937	97158	1	72283	1	1	49383
C36 H58 N7 O3	1	8670	1	24178	1	7498	1
C38 H56 N11	1	1	13250	15021	1	1	10729
C38 H73 N11	1	10912	1	1	8163	10003	1
D-?-Hydroxyglutaric acid	45543	1	1	1	1	37339	52472
DG(20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z)/0:0)[iso2] +1.1175295	1	1	176547	14334	12605	15017	1
Dihydroxycarteolol M2 +3.5043528	13422	1	1	1	15725	1	19410
L-O-Methylthreonine	35929	34265	38013	42695	1	1	42865
L-Urobilin +1.5038234	49817	1	11273	1	1567350	1	373848
Lys Ser Arg	1	13493	9319	10873	1	5180	1
MG(20:1(11Z)/0:0/0:0)	1	6077	16821	8174	9855	5035	5334
N1,N12-Diacetylspermine	21018	1	22601	316984	230569	1	114892
N2-Acetyl-L-aminoadipate	1	35565	1	141949	1	1	244084
N8-Acetylspermidine +8.93847	72518	92148	1	1	1	40990	1
N-D-Ribosylpurine	1	7641	1	1	6062	1	1
TG(8:0/8:0/8:0)	13136	1	7316	9440	6431	14686	1
?methasone valerate	1	9714	33432	9214	1	1	1
14-Fluoro-11Z-tetradecenyl acetate	9613	1	1	1	11537	17016	1
1517.7036@5.6935625	7101	7248	1	1	1	1	8928
1-Aminocyclohexanecarboxylic acid +4.9695625	1	1	240668	1	559110	47239	68542
2'-Deoxymugineic acid	1	18543	16915	35902	13445	1	1
2-tetracosanamidoethanesulfonic acid	1	6129	5997	6391	6170	1	1
3,6-dioxo-decanoic acid	1	13779	16642	1	1	1	11236
3-Buten-1-amine	24041	24142	88788	334804	97797	1	318442
4-Guanidino-1-butanol	1	1	81328	56480	47521	1	85499
5?-Androstan-3?,17?-Diol	5087	1	1	1	19359	9229	25114
6-methyltetrahydropterin	1	1	24997	1	34576	22655	37872
8-Hydroxyadenine	1	1	1	1	37886	1	23786
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid	145749	13975	1	1	1	1	18709
all-trans-hexaprenyl diphosphate +4.4986877	61621	29627	1	6785	1	1	16491
Axisothiocyanate 3 +1.12825	13001	13824	13808	13217	1	1	17044
C12 H20 O5	1	61270	1	1	1	12719	1
C14 H35 N4 S2	5300	1	7915	5349	9141	1	6507
C15 H34 N3 O3	1	23273	11143	16370	1	1	1
C16 H39 N4 O S2	6983	6574	1	1	9227	1	1
C18 H14 N O3 S2	1	1	1	9375	14865	1	1
C19 H47 N16 O8	510753	169889	10479	77814	1	1	58259
C22 H26 N11 O3 S2	1	1	1	14786	19592	1	1
C27 H47 N8 O	1	9584	11009	36787	1	1	1
C30 H56 N15 O2	1	1	1	1	31637	11763	1
C33 H28 N26 S2	1	1	1	1	16047	1	1
C43 H22 Cl N3 O	1	1	1	8040	16715	1	1
C7 H10	1	1	21613	34984	1	12315	1
Diethylstilbestrol diphosphate	1	1	1	1	6194	1	1
Docosahexaenoyl Serotonin	19190	9219	8149	42884	1	1	6159
ent-Corey PG-Lactone Diol	1	1	7382	1	17964	1	1
I-Urobilin	9089	1	16439	9011	68374	1	105426
L-Dopa	20381	15155	41664	46365	40717	1	41401
Nafoxidine	53079	25910	9830	43411	1	1	1
N-methyl hexanamide	30960	23535	1	1	1	24690	12282
Pro Arg Asn	11363	12999	1	12485	12341	10730	1
Remikiren	25292	12392	1	7107	1	1	10432
Ribonic acid	1	1	1	9923	12796	1	1
Tauroursocholic acid +3.881875	1	121529	11694	22173	1	1	103358
(2R)-2-Hydroxy-2-methylbutanenitrile +1.9082668	1	161083	1	1	1	1	1
1219.3354@1.0075334	1	1	5423	1	1	1	1
2'-Deoxymugineic acid +6.1390667	1	13396	17070	86474	23714	1	1
2-Dimethylamino-5,6-dimethylpyrimidin-4-ol	1	122737	105343	55076	1	1	175459
2-Methylpyridine	1	1	1	1	1	1	16032
3-Deoxyguanosine	1	1	1	1	13992	1	1
3R-hydroxy-tetradecanoic acid	1	11952	1	1	1	1	21402
4-Oxovalproic acid +6.3677998	1	13228	1	1	1	10915	1
6-O-Methylguanine	1	330725	290625	1	264694	1	251102
Atraton	1	1	1	19435	1	8771	11070
B-(4-Fluorobenzoyl)propionic acid +7.5972004	17476	9071	25538	1	1	1	1
Bicalutamide	1	1	1	1	14870	1	1
Bullatacinone	16182	1	1	1	16112	1	12615
C11 H11 N5 O	1	1	1	1	11239	1	1
C17 H24 N2 O4	1	17128	1	1	1	1	1
C20 H39 N4	1	1	65214	1	1	48262	1
C23 H37 N S	1	1	5468	15877	1	1	1
C24 H49 N O13	104894	49184	1	9280	1	1	29797
C29 H57 N O2 S2	1	1	18511	73323	1	1	1
C32 H57 N4 S	1	23001	15117	23015	1	1	1
C36 H56 N4 O3	7025	1	9652	6877	1	1	9160
C6 H16 N3 O3	1	15753	8460	1	1	1	1
C7 H17 N O3	1	1	29218	1	1	1	1
Carmamycin A	9547	1	1	18145	1	1	9557
Cymoxanil	46379	1	34185	1	9929	1	1
Diphenylcarbazide	5448	1	1	1	8310	9119	5802
DMPO +1.6536001	1	30292	22565	1	1	1	1
Heptaminol	111197	1	63448	1	1	1	1
L-Homotyrosine +6.744867	1	154677	1	1	1	10843	1
L-isoleucyl-L-proline +6.6362667	1	1	1	8157	35481	1	14521
Mequitazine	27587	1	24750	10437	41122	1	171668
Militarinone A	1	1	1	7166	1	8940	10785
Muscimol	36133	87960	1	1	1	15382	18404
N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine	32083	14707	10103	50036	1	1	1
N-isovalerylglycine	1	22141	1	20345	1	1	18996
N-oleoyl GABA	1	1	8757	1	10202	8200	1
Ophiopogonin B	32336	33063	11762	46917	1	1	1
Pilosine	1	1	16223	1	66901	1	122435
Piperidione +2.718	1	568740	168572	1	64909	1	16780
PS(O-20:0/0:0)	183329	77993	1	12573	1	1	67244
Rubraflavone C	1	22071	36123	21670	50528	1	17990
Solanidine	1	1	149743	19412	1	1	28770
Tauroursocholic acid +3.9862664	42492	20792	1	6607	1	1	23456
Trichostatin A +1.3358667	21559	1	1	1	56311	1	99864
Val Lys	70967	23993	141104	97491	456071	1	1
(2R)-2-Hydroxy-2-methylbutanenitrile +1.5564287	26164	36786	1	1	1	1	1
(5-Phenyl-1,2,4-triazol-3-yl)urea	1	1	1	1	25847	1	28295
1381.7291@5.6907144	10932	12248	1	1	1	11347	1
2-[3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol	9473	1	25118	1	32961	1	34484
2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone	1	8210	7896	1	1	1	7675
2-hydroxy-4- (methylthio) butyric acid	1	1	1	1	10592	1	20774
2-oxo-docosanoic acid +3.9759285	9840	1	7969	1	1	1	7796
3Alpha,7Alpha,12Alpha-trihydroxy-27-nor-5Beta-cholestan-24-one	1	1	1	1	28692	1	13259
3-Butylidene-7-hydroxyphthalide	7821	13201	1	13620	1	6193	8677
3-Hydroxy-1-indanone	12382	14446	1	1	1	1	13668
4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone	1	22731	27253	1	1	9824	1
557.4641@1.0901428	1	10785	10457	16553	1	1	1
592.1499@1.0271429	1	1	1	1	5263	1	1
5-Amino-1-ribofuranosylimidazole-4-carboxyamide	1	16879	13073	64206	86357	1	1
Anandamide (20:2, n-6)	16765	14311	18193	1	1	1	1
Brosimacutin B +1.0826429	1	1	1	14176	1	1	1
C13 H28 O3 S2	17447	1	15817	19155	1	1	19575
C13 H31 N4 S2	6742	1	1	1	1	7349	1
C15 H27 N O6	27792	1	45557	1	32997	1	1
C17 H40 N4 O9	1	20827	1	53090	1	1	1
C21 H39 N2 O	1	55237	1	1	64114	1	38316
C23 H54 N26 O	6819	5978	9153	6736	8557	1	7382
C27 H53 N8 O10	122870	212497	14072	1	1	1	1
C28 H53 N S2	1	1	1	1	9191	1	1
C30 H63 N4 S2	14437	6778	1	1	1	9981	1
C33 H26 N2 S4	1	1	1	1	5101	1	1
C35 H38 N22 O4 S3	1	1	5450	13380	1	1	1
C5 H3 N S	1	1	1	89030	168680	1	1
C6 H14 O3	1	38926	1	25764	11717	1	1
C9 H18 N2 O	1	1	886959	1144988	2003263	1	804845
DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	1	12070	1	1	1	1	11216
dihydro-?-ergocryptine	7449	1	1	1	1	1	6512
Gymnemic acid I	43568	21164	1	27708	1	1	7572
Homatropine	54637	1	25752	13015	105140	1	1
Leupeptin	1	1	1	1	1	1	1
L-Urobilin	1	1	15674	1	1	77984	339790
L-Urobilin +5.948929	1	25072	1	1	1	67982	1
MCI-186	1	36238	1	1	10919	1	7236
N(alpha)-gamma-L-Glutamylhistamine	1	7778	20732	6689	14696	1	1
N-Carboxyethyl-?-aminobutyric acid	1	1	39066	14099	45600	12852	1
N-pentadecanoyl-L-Homoserine lactone	8066	11463	11850	1	1	10129	1
PA(17:0/22:0)	35606	40509	47333	1	1	1	1
p-Phenetidine	1	118889	1	47595	16732	1	1
Pseudopelletierine	1	47298	45538	42642	35736	41977	49864
Ritanserin	1	1	1	1	1	1	1
Solanine	18311	7425	1	14041	1	1	1
Tetranor-PGF1alpha	84379	1	1	1	1	29759	1
(1S)-1-hydroxy-23,24-didehydro-25,26,27-trinorcalciol	1	1	1	1	26461	1	1
1128.3076@1.0673078	26002	32984	18439	1	1	1	1
283.324@3.6852307	1	8438	1	11333	8094	8885	13685
2-Methylbutyroylcarnitine	1	1	1	8812	5382	1	1
2-Pyridyl hydroxymethane sulfonic acid	1	1	1	1	40240	1	20670
3?,12?-Dihydroxy-5?-cholan-24-oic Acid	1	1	1	1	11445	1	9341
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +1.4879231	1	1	1	1	15883	11271	50992
4-Amino-2-nitrotoluene	1	24384	1	1	45820	25274	90028
4-Oxovalproic acid +7.7280765	1	1	1	13917	22572	1	26772
7alpha-Hydroxytestololactone	1	1	1	9331	14564	1	24149
7-Methylxanthine +3.3950768	1	24620	20304	1	15415	1	25177
8-Hydroxyguanosine	1	1	1	1	1	1	1
9S,10S,11R-trihydroxy-12Z-octadecenoic acid	97617	1	1	1	16624	8084	1
9-tridecynoic acid	13035	1	1	1	18988	1	1
Acexamic Acid	1	1	1	25906	1	1	11924
Adenine	1	1	32768	66204	95278	1	38553
aminocaproic acid	1	1	1	1	64932	1	71880
C10 H20 N4	137806	1	133306	1	1	59111	1
C13 H30 N5 O	1	15968	1	1	15464	14493	1
C16 H23 N2 O3	1	1	1	1	1	1	16408
C17 H35 N O3	1	5227	5980	1	1	7135	41757
C17 H38 N20 O2	1	9004	1	12956	1	1	10633
C18 H38 O5	59239	37749	1	1	15538	7668	8470
C19 H25 N2 S	15242	1	1	1	1	8098	1
C19 H41 N	7249	1	1	8760	1	1	6736
C22 H44 N3 O4	1	5352	1	1	1	1	1
C23 H52 N4 O12	1	8050	7801	10025	1	1	1
C24 H2 N O23	1	81387	1	83790	1	1	28189
C39 H77 N4 O4 S	1	1	5297	14184	1	1	1
C9 H20 N2 O	1	18574	26575	1	1	1	34047
cis-Zeatin +1.5618463	1	1	1	5992	27872	36558	21900
Dihydroxycarteolol M2 +2.7813077	1	1	1	1	1	7989	5735
Di-n-propylphthalate +8.018231	1	1	1	1	1	1	1
GlcCer(d18:2/20:0)	1	1	8832	10751	15898	8508	1
I-Urobilin +1.4405385	5394	1	23787	1	157629	1	147654
L-Alanine	34496	1	1	79601	42527	1	48343
m-Aminophenol	1	47188	1	1	1	1	1
Mequitazine +3.7178462	6008	1	14208	8520	11423	1	57433
Mescaline	18426	1	1	1	35874	1	58035
MID42021:(22E)-26,26,26,27,27,27-hexafluoro-25-hydroxy-22,23-didehydrovitamin D3 / (22E)-26,26,26,27	5809	1	1	1	16454	1	1
MID42313:1?,25-dihydroxy-24a,24b-dihomo-22-oxavitamin D3 / 1?,25-dihydroxy-24a,24b-dihomo-22-oxachol	1	8536	1	1	1	1	1
N-(Carboxymethyl)-D-alanine	1	101546	1	1	1	1	83688
N-Acetylimidazole	1	1	131426	1	1	1	76859
THTC	1	1	1	1	28233	1	1
Trichostatin A	11250	1	1	1	30042	1	20856
Trimethylaminoacetone	26062	36390	1	30878	1	1	17164
11-lauroleic acid	1	15280	1	1	1	1	1
1201.3254@1.1040834	16405	1	13244	12833	1	8958	13834
1293.3529@1.01225	1	1	1	1	1	1	1
2'-Deoxyuridine +7.0474167	1	1	47237	1	20699	1	1
420.7537@5.5705833	52717	1	1	33020	1	1	1
485.4074@1.09175	1	9598	1	1	1	1	5018
494.2579@1.1080002	1	1	6266	1	1	1	1
612.1576@1.0251667	44177	7652	1	11261	1	1	1
9,10-epoxy-13-hydroxy-11-octadecenoic acid	1	1	1	1	6584	8739	1
939.8119@5.691583	12612	1	1	1	11911	1	1
aminocaproic acid +6.4613338	1	17261	1	1	1	15465	1
Anthranilic acid +6.9264164	1	1	42838	25170	15878	99828	105848
C12 H25 N5 S	1	1	7319	1	10366	1	7049
C15 H29 N O2	1	1	1	1	23690	11921	1
C17 H13 N2	19780	1	1	8111	1	1	17444
C17 H22 N O2	9596	1	1	1	1	20264	1
C17 H43 N16 O7	1	82034	1	24435	1	1	69672
C21 H2 N2 O21 S	71641	1	1	17084	1	1	31772
C22 H4 N3 O24	44673	1	1	97003	1	1	55881
C22 H47 N O12	120215	46327	1	1	1	1	46729
C26 H55 N O14	173109	70573	6884	30058	1	1	1
C26 H6 N O24	137228	21568	1	1	1	1	46870
C27 H39 N3 O2 S3	1	1	1	1	9649	1	9717
C28 H52 N15 O	12367	1	13595	1	1	1	9726
C3 H2 Cl2 N4 O S2	1	1	1	1	1	10319	1
C32 H40 N5 O	1	1	1	1	6354	1	13311
C32 H67 N O17	148643	44134	21788	77080	1	1	40763
C36 H23 Cl N O2	1	1	1	1	1	1	1
C46 H88 Cl N3 O3	1	1	8023	1	14336	1	7571
C48 H78 O7	1	1	1	1	46188	1	11367
C53 H26 N10 O2	36551	1	12981	1	35170	14093	1
Chaksine	8825	1	1	7699	1	1	11106
Diphenylcarbazide +1.5233334	1	28494	1	1	1	8791	1
Glycyl-L-leucine	7346	1	7483	1	13709	1	14667
Isodomoic acid A	23867	1	12646	6537	25985	1	72792
Leupeptin +1.2569166	9937	1	1	5350	6040	1	1
L-prolyl-L-proline	1	17290	1	1	13734	1	1
Lys Arg Ile	14705	1	1	1	16984	1	1
Lys Phe Gln +1.32425	1	1	6285	1	39122	1	17320
Magnoshinin	1	1	301875	279917	292080	202248	327687
MG(18:1(9Z)/0:0/0:0)	1	1	1	1	1	8866	8380
N-stearoyl tyrosine	1	20723	1	1	1	1	8073
para-Benzoquinone dioxime +6.0573335	9871	1	1	1	13658	1	1
PI(12:0/12:0)	227479	1	29411	40439	1	1	1
PI(15:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1	1	1	1	21737	1	5382
PI(22:1(11Z)/0:0) +7.175916	385694	166843	1	1	1	1	77492
p-Lactophenetide +6.45775	1	1	1	1	1	1	1
Propoxur	1	1	1	1	1	1	1
Purpureacin-1	11015	10855	1	1	1	1	1
Retronecine	1	1	252772	44854	48521	1	24433
Sethoxydim	24564	1	1	9875	1	1	10726
tachysterol3	14655	1	8378	1	8608	1	1
Tauroursocholic acid	1	61184	1	1	1	1	38870
THA	54613	1	1	58188	1	1	73611
TyrMe-Nap-OH	1	1	1	1	1	1	9140
ZK118182 isopropyl ester	1	1	1	8752	10994	7546	1
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +1.838182	1	1	1	1	295727	1	29907
(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol	1	17374	6189	1	1	1	1
(R)-Flurbiprofen	14163	1	10167	1	9792	1	1
?-PHENYL-gamma-Aminobutyric Acid +6.8130007	1	1	1	1	1	1	1
10-(beta-Dimethylaminopropionyl)phenothiazine	1	20714	16834	1	1	1	1
15-Oxo-5?-cholan-24-oic Acid +1.336	1	1	1	1	12271	1	5768
1-Aminocyclohexanecarboxylic acid	49451	1	30312	1	1	1	1
1-Naphthylamine	14533	1	1	84988	58652	1	1
24-hydroxy-10Z-tetracosenoic acid	1	8670	5784	1	1	1	1
35-aminobacteriohopane-32,33,34-triol	6283	5830	5686	1	1	1	1
3-Acetamidopropanal	1	1	1	1	1	48805	1
3-Isopropylcatechol	1	1	21789	1	1	1	1
5(6)-EpETrE-EA	1	8536	7873	1	1	1	1
5beta-Chola-3,8(14),11-trien-24-oic Acid	22994	1	1	1	1	1	10801
605.864@6.7756367	1	1	1	15626	1	1	41646
8-Hydroxyadenine +3.9255457	1	1	1	1	1	1	14441
9-undecynoic acid	8145	12438	1	1	1	1	1
all-trans-hexaprenyl diphosphate	25461	1	1	1	1	1	14403
A-Norpregn-3(5)-ene-2,20-dione	23558	1	17092	1	1	1	1
C10 H22 O5	1	5978	1	7959	1	1	1
C13 H23 N O2	1	45149	1	1	45636	1	1
C15 H6 N5 O16	81957	28456	1	1	1	1	1
C16 H39 N11 O7	1	1	1	47050	1	1	1
C19 H2 N O22 S	119938	95370	1	1	1	1	118418
C19 H39 N8	1	1	5542	5233	6835	1	1
C23 H29 N19 O8 S2	1	1	1	1	1	1	1
C26 H55 N O14 +6.865364	553926	199322	1	57228	1	1	1
C27 H47 N8 O3	1	1	1	1	1	1	1
C28 H51 Cl N2 O4 S	10172	1	1	1	33651	1	6320
C29 H23 N O S2	1	1	1	6558	9009	1	1
C31 H59 N O9	1	22581	1	5226	1	1	1
C38 H77 N O S2	6146	9461	1	1	5264	6599	1
C45 H51 N26 O	1	5621	8421	5234	1	5614	5972
C6 H7 N O5 S	1	1	1	1	12015	1	19141
CAY10621	1	1	1	12299	12820	1	1
Debromoaplysiatoxin	1	1	1	1	36543	1	18990
DMPO +6.4671817	1	1	37987	918588	472713	1	1981192
Ethyl 3-(N-butylacetamido)propionate	1	1	8317	8269	1	1	1
Evadol	17333	1	1	29139	29970	1	1
Gentamicin C1a +3.549727	40429	25253	1	1	1	1	1
Gliquidone +1.8444546	1	1	1	1	33540	1	11023
L-Adrenaline	1	1	1	1	25548	1	80800
Leu Ala	1	1	9017	1	1	11266	10802
L-Prolinamide	1	1	1	1	1	1	1
Lys Lys Lys	6668	1	1	1	1	1	1
Mequitazine +3.0796363	7614	1	14644	11751	1	1	88354
Multifidol	1	1	6132	1	1	6255	6897
O-butanoyl-carnitine	1	1	1	1	13154	1	1
PE(9:0/9:0)[U]	84663	25841	1	1	1	1	38330
Perindoprilat lactam A	1	1	1	1	1	1	1
Phenyl glucuronide	1	5788	1	1	11277	1	12620
PI(22:1(11Z)/0:0)	103889	1	1	1	1	1	48062
PS(19:0/0:0)	1	68959	1	9546	1	1	60801
Trichostatin A +6.2479997	15283	1	10531	1	1	1	30312
Tyr Thr Lys	65633	42859	1	1	1	1	35328
(-)-Kanshone A	1	1	1	1	1	1	1
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid	1	1	1	1	11583	1	38129
1000.2793@1.0093	1	1	1	9415	1	1	1
1056.2844@1.0370001	21905	1	1	1	17647	1	1
1074.2981@1.0069001	1	1	1	1	1	1	1
11(R)-HETE	6508	1	1	1	1	1	1
123.0173@7.2527	1	1	1	46670	1	1	1
17-Epiestriol +6.6743994	1	1	1	1	1	1	1
1-Phenylbiguanide	1	1	1	1	117110	105992	1
2,3-dinor Thromboxane B1	7998	1	1	1	1	23453	1
2-Dimethylamino-5,6-dimethylpyrimidin-4-ol +7.501401	16151	33002	10206	1	1	1	1
2R-aminoheptanoic acid +6.4694	1	116799	408033	1	123633	1	1
3alpha,7alpha,12alpha-trihydroxy-27a,27b-dihomo-5beta-cholestane-26,27b-dioic acid	9606	1	1	28632	1	1	1
3-Buten-1-amine +5.4347005	32780	1	24647	1	1	1	1
3-hydroxy-dodecanedioic acid +1.1628001	1	1	1	1	13170	18901	1
3-Hydroxyisovalerylcarnitine +1.3431001	1	13871	1	8224	8392	8723	1
3-Methylorsellinic Acid	1	1	1	1	8934	1	1
4-(Trimethylammonio)but-2-enoate +6.1977997	1	1	1	1	1	1	1
423.3561@1.2616999	1	9325	1	1	1	1	1
487.351@1.2615999	1	1	1	6389	1	1	1
4-Aminomethylindole	1	1	1	1	1	1	1
4-Dimethylamino-L-phenylalanine	1	1	197183	56392	1	1	1
4-Hydroxy-2-quinolone +1.6017001	1	8932	20694	1	9784	1	1
4-Hydroxylevamisole Glucuronide	1	1	5338	1	1	6128	1
4-PIOL	1	1	1	1	24021	1	40195
561.8378@6.5539002	1	1	1	1	1	1	37553
7-Tridecenoic acid; C13:1n-6	7942	1	1	7035	10300	1	1
8-Azaspiro[4.5]decane-8-butanoic acid, 7,9-dioxo(buspirone metabolite)	1	1	1	1	1	1	1
Ala Asn Asn	1	1	7857	1	1	1	9120
Allopumiliotoxin 267A	1	11678	1	1	1	8949	7033
alpha,4,2'-Trihydroxy-4-O-geranyldihydrochalcone	1	1	1	9312	1	1	12372
Ammodendrine +7.22	13440	1	67982	1	1	1	15010
b-D-Glucopyranosiduronic acid, 6-(3-oxobutyl)-2-naphthalenyl +1.6074	1	10783	1	1	1	1	11091
Benzyloxyphenylisoserine Methylester	1	1	21531	1	1	1	1
C10 H21 N O4	1	6763	10096	1	1	1	1
C11 H19 N5 O3	1	11324	8467	1	9671	1	1
C16 H22 N2 O4 +3.5173001	8627	1	10281	1	1	1	23209
C17 H31 N5	1	1	1	1	6405	1	11869
C17 H43 N16 O7 +6.7519007	582971	147030	1	37040	1	1	1
C19 H41 N6 O8	11845	1	1	1	16149	1	1
C21 H2 N2 O21 S +7.0801	290535	1	1	1	1	1	58997
C21 H51 N21 O4 S	83986	1	1	44020	1	1	1
C22 H11 N10 O2	1	1	1	1	1	1	1
C22 H43 N4 O	1	1	1	1	1	5605	8382
C24 H41 N8 O	6469	24257	1	1	5348	1	1
C25 H49 Cl N O5	12327	1	1	14250	1	1	1
C25 H52 O S2	1	1	1	10641	1	6752	10549
C27 H53 N8 O10 +7.0788994	518934	1	18708	1	1	1	1
C32 H24 N9 O S2	1	1	1	1	1	1	1
C32 H44 N4 O4 +4.4172	15054	1	1	1	1	1	1
C33 H50 N27 O3	7404	1	1	7338	1	1	1
C36 H57 N29 O	7844	1	1	8060	1	1	1
C6 H12 O3 S	1	1	1	1	1	14384	1
C8 H16 O2 S	1	1	6620	1	1	1	1
DIBOA	1	39631	1	1	1	1	5995
Dihydroxycarteolol M2 +3.3627002	1	1	1	1	1	1	1
Dihydroxycarteolol M2 +6.4651003	1	1	1	1	1	1	1
Dihydroxymelphalan	1	1	1	1	1	1	1
Dimethylaminoethyl reserpilinate +1.4954	1	1	1	1	104934	7762	50386
Ethambutol aldehyde	1	174362	69513	1	37639	1	1
Gabapentin	34289	35569	1	1	1	1	1
Gliquidone +1.6873001	1	1	1	1	19273	1	53532
Hexanoylglycine	1	1	13337	1	1	1	1
Hypericin	1	1	1	1	6721	1	1
Isobutyrylglycine	1	28970	40161	1	1	1	31285
Isonicotineamide	166437	19092	1	1	63376	19562	1
Istamycin AO	62808	29836	1	1	1	1	17198
Juvabione +6.4171996	1	1	1	1	1	1	1
L-4-Hydroxy-3-methoxy-a-methylphenylalanine +6.613	1	16991	1	1	1	1	1
L-isoleucyl-L-proline +8.3212	1	1	1	22349	2430471	1	1
Lyngbyatoxin	14615	1	1	1	1	1	1
Lys Thr Tyr	21046	14790	1	1	1	1	14444
Melibiose	1	1	1	15822	1	1	11460
Methyldopexamine sulfate +1.4518001	1	1	11551	1	75936	1	105037
MG(0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	1	1	1	1	1	5246	11008
N(alpha)-Benzyloxycarbonyl-L-leucine	1	1	1	1	1	1	1
N-decanoyl-L-Homoserine lactone	1	13429	1	1	11694	1	1
N-palmitoyl tyrosine	1	1	1	23783	1	1	1
Pederin	11207	1	1	1	1	1	1
Phencyclidine	1	1	15855	18545	1	1	1
Piperidione +1.1708	39712	30700	1	17099	37711	13503	1
p-Lactophenetide	1	1	1	1	12946	1	1
p-Lactophenetide +6.3553	1	16773	1	1	1	1	1
Pro Ser Gly	1	1	1	1	1	1	1
Promecarb	1	1	1	1	1	21646	1
S-2-Octenoyl CoA	29525	1	11611	1	26075	12878	17778
Trimethylolpropane triacrylate	12857	10363	14942	5913	1	1	5653
Tyr Leu	1	1	1	1	1	1	1
Val Asp Gly	1	1	1	1	1	1	1
Val Tyr His	1	1	14889	1	24790	1	24329
Volicitin	1	5528	1	5344	1	1	1
VPGPR Enterostatin	56430	1	1	1	1	1	29498
W123 +1.3951	1	1	1	1	1	40195	1
(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid	6054	1	1	7503	1	15059	1
(3-Phenylpropionyl)glycine methyl ester	1	1	1	1	1	9007	1
(S)-ATPA	1	33081	1	1	1	1	1
?-PHENYL-gamma-Aminobutyric Acid +1.4653333	1	1	159579	1	13838	1	19465
1,1,2-Triphenylpropane	1	1	1	1	15213	1	12738
1054.2894@1.0408889	1	34698	22947	27821	1	1	30388
17beta-Hydroxy-7alpha-methylandrost-4-en-3-one +1.1287777	9589	1	7382	1	1	1	1
2,4,7-tridecatrienal	1	1	1	1	9529	7611	1
2,5-Xylidine	1	1	1	1	1	1	1
241.2594@6.428889	16849	1	14016	1	11752	1	1
2-Amino-2-methyl-1-propanol +1.5301111	17662	22943	1	32490	1	1	21830
2-Ethyl-2-methyl-3-hydroxysuccinimide	1	1	36679	1	11485	1	15095
2H-Indol-2-one, 1,3-dihydro-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-	1	1	1	1	1	1	1
2-methyl-hexanoic acid	1	10970	18804	1	1	1	1
3?,12?-Dihydroxy-7-oxo-5?-cholestan-26-oic acid	1	1	1	1	8333	1	1
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid	1	1	1	1	28294	1	9177
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid	1	1	1	33129	1	1	29967
3-Buten-1-amine +6.5351114	26360	1	36745	1	1	1	1
3-Hydroxyanthranilic acid	1	20740	1	1	1	1	1
3-Methylbutanamine	40296	1	1	1	1	64758	29862
3-oxo-nonanoic acid	1	1	1	1	1	1	1
4,7-dioxo-octanoic acid	63921	1	1	1	52996	1	1
444.7431@5.702555	14214	1	1	1	1	1	1
4-Heptyloxyphenol +1.2421111	1	1	1	1	1	1	1
4-Nitrotoluene	27876	1	1	1	1	1	1
4-Vinylcyclohexene +1.3033333	1	17077	1	1	1	1	1
526.6541@7.678556	1	1	1	104426	1	1	1
539.8248@6.458778	1	31605	1	1	1	1	25831
570.6803@7.960111	1	1	13705	61297	1	1	1
5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoic acid +7.284889	1	1	30800	59087	1	1	1
7-Methylxanthine	1	29152	1	1	25578	1	1
8,11,14-Nonadecatriynoic acid	1	1	1	1	21332	1	33324
9R,10S,18-trihydroxy-stearic acid	29043	1	1	1	1	7639	1
all-trans-Dehydroretinal	1	1	1	1	11117	1	7316
Anhalonidine +4.718778	9541	79927	1	44787	10406	1	1
Aprobarbital	1	8333	1	1	1	1	1
Arene oxide	1	1	19497	27838	1	1	1
Arg Asp Lys	1	1	1	1	1	1	8551
Artoindonesianin B	1	1	1	1	58686	1	10257
Avermectin A1a monosaccharide +7.571001	68336	9845	1	17138	1	1	14491
Azoprocarbazine	1	1	11249	7629	1	1	1
C10 H10 N6	1	1	1	13652	1	1	16515
C10 H22 N2 O	1	42806	31890	1	1	1	1
C11 H12 N4 O	1	1	1	1	1	1	1
C11 H25 N3 O	1	1	75340	1	31442	1	1
C13 H16	1	1	14931	12766	19768	10482	1
C16 H34 O9	666057	1	1	1	1	1	1
C16 H6 N O14 S	39026	1	1	1	1	1	1
C17 H37 N +4.119111	1	1	1	1	10755	1	8141
C20 H41 N8 O2	6158	1	1	1	1	1	1
C20 H42 O5	10989	58446	1	1	1	1	1
C23 H21 N20 O5 S	1	1	1	1	1	1	1
C25 H27 N10 O	5084	1	1	1	9069	1	9191
C26 H39 N5 O2 S4	1	1	1	1	1	1	1
C27 H37 N16 O2 S4	1	1	1	1	1	1	1
C27 H43 N22 O	14927	6735	1	1	1	1	5123
C28 H24 N26 O5 S	1	1	1	1	1	1	1
C33 H54 N10 O2	1	5460	9514	6477	1	8154	1
C35 H60 N19	1	1	12023	11489	11863	5978	1
C40 H38 N5 O2	1	1	7512	1	1	1	7603
C42 H87 N4 S2	1	9447	1	1	1	1	1
C43 H54	1	1	7653	1	1	1	1
C48 H80 O10	1	1	1	1	1	1	93245
C8 H18 N2 O2	1	17528	1	1	17974	1	1
C8 H2 Cl2 N S2	1	1	1	13136	1	1	1
C9 H22 N8 O2 S	1	1	1	1	1	1	17480
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol	43875	1	14924	1	1	1	1
Coniine +9.128111	1	27840	1	1	76099	1	1
Corrinoid	1	1	1	8993	1	1	1
DG(22:0/14:0/0:0)	6414	6081	5855	1	1	1	1
Emtricitabine	1	1	1	1	1	1	16474
GDP-D-glycero-alpha-D-manno-heptose	1	1	1	1	1	1	1
Indicumenone +1.2546666	1	7884	1	10898	1	1	1
L-4-Hydroxy-3-methoxy-a-methylphenylalanine	1	5520	1	1	1	1	1
Lanceotoxin A	1	1	1	1	13283	1	99177
Lentiginosine +1.603111	1	1	1	1	1	1	1
Leu Ala +6.465889	1	1	32514	1	23179	1	1
lithocholic acid sulfate	49771	1	1	1	1	1	1
Lys Gly	1	1	1	1	1	1	1
MID42020:26,26,26,27,27,27-hexafluoro-1?,25-dihydroxy-23,23,24,24-tetradehydrovitamin D3 / 26,26,26, +1.4843333	1	1	1	1	15545	1	12182
Musk ambrette	1	1	1	1	1	1	1
Mycobactin S	1	5218	1	14148	1	1	1
Mycosporine	1	1	1	9754	1	1	49860
Narcissidine	1	10466	1	1	1	7608	1
Neosakuranin	1	5376	1	1	1	5284	1
N-methylundec-10-enamide +1.1404444	1	1	29001	1	1	30095	1
N-stearoyl tyrosine +4.9166665	1	12760	1	1	1	1	1
ortho-Aminoazotoluene	1	15084	10356	1	1	1	1
PE(18:3(9Z,12Z,15Z)/14:0)	24077	1	1	1	1	1	1
Pikromycin	1	1	1	1	1	1	1
Pirbuterol	1	1	1	77784	1	1	62431
Pro Ser Gly +6.4748883	1	1	1	1	1	1	1
Procaterol	1	1	1	1	7849	1	14064
PS(P-16:0/17:2(9Z,12Z))	1	1	1	1	1	1	1
Sophoranone	1	1	1	1	6249	1	1
Styrene	1	1	1	118066	33080	1	1
Tenovin-6	119993	66357	1	1	1	1	49344
Tricaine +6.3742223	1	1	1	1	1	1	1
Ursodeoxycholic acid 3-sulfate +1.1235557	21755	1	1	1	14944	1	1
Val Leu	1	1	1	1	1	1	1
Val Lys +9.32589	16028	1	1	24010	1	1	1
(+)-3-hydroxy pelargonic acid +4.8395	1	1	1	1	1	1	1
(+)-trans-allethrin	1	1	1	1	1	1	1
(2R)-2-Hydroxy-2-methylbutanenitrile +6.33775	1	1	38316	1	29146	1	1
(2S,5S)-trans-Carboxymethylproline	1	15421	1	1	1	1	1
(E)-2-Butenyl-4-methyl-threonine	1	1	1	1	15203	1	1
(S)-Piperazine-2-carboxylic acid	1	1	1	1	43600	1	1
1,2-O-Diacetylzephyranthine +6.27975	1	1	1	1	1	1	1
10,12-Tetradecadiene-4,6-diynoic acid, (E,E)-	1	1	1	1	13016	1	9618
1057.263@1.0095	1	1	1	1	1	1	1
1130.3062@1.052	1	1	1	9144	1	6830	1
12-HETE-GABA	13777	11669	18525	1	1	1	1
12S-acetoxy-punaglandin 5	1	1	1	9241	1	1	1
1367.375@1.0212499	1	1	1	1	1	1	1
1-Methylhypoxanthine	1	1	1	8752	15594	1	15894
2,3,5-Trimethacarb +6.6637497	1	1	1	1	1	1	1
2?,3?-Dihydroxy-6-oxo-5?-chol-7-en-24-oic Acid	1	1	1	1	1	1	1
24-hydroxy-10Z-tetracosenoic acid +4.199875	5696	1	1	1	7126	1	1
27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol +2.394625	1	1	1	6070	13886	1	1
2E,4E,8Z,10E-dodecatetraenoic acid	1	1	22144	39708	1	1	1
2H-Indol-2-one, 1,3-dihydro-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]- +6.9265003	1	1	1	1	1	1	1
2-Hydroxypyridine	1	1	1	1	1	1	1
3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol	1	1	1	1	9992	1	1
3,4,5-Trimethoxybenzoic acid	1	1	1	1	1	1	1
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.6846249	1	1	1	1	1	1	16990
398.7411@5.4255	61068	28243	1	27764	1	1	1
437.7749@6.08725	1	1	1	1	1	1	1
473.3689@1.14675	1	5716	1	15119	1	1	1
4-Dimethylamino-L-phenylalanine +6.6573753	1	1	1	1	1	1	1
4-Dimethylamino-L-phenylalanine +7.8358746	1	1	1	1	1	1	1
4-keto palmitic acid	1	1	1	9617	1	1	1
525.8273@6.54525	1	1	1	1	1	1	1
5beta-Chola-3,8(14),11-trien-24-oic Acid +1.688125	1	1	1	1	1	1	16878
5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoic acid	1	1	1	1	121743	1	1
6-Oxocineole	1	1	1	10404	1	23290	1
708.0652@2.284	1	1	1	1	1	1	41956
740.1875@1.0185001	1	1	1	1	1	1	1
8Z-heptadecenoic acid	1	9562	1	1	1	1	1
9-OxoOTrE	1	1	1	1	15824	1	16434
Acebutolol	1	1	1	1	1	1	1
Amino acid(Arg-)	1	1	1	1	106210	1	40366
Anopterine	1	1	6406	1	1	1	1
Argininic acid	1	1	44443	1	1	30617	62283
Atorvastatin	1	1	1	1	1	1	9973
Bestatin +6.386	1	1	1	1	1	1	1
Butopyronoxyl +1.6455001	1	29589	1	1	1	1	1
C10 H12 N7 O	1	1	1	1	1	11011	1
C11 H18	1	1	1	16434	1	1	1
C11 H26 N3 O2	1	1	1	1	5578	1	1
C13 H27 N3 O2	1	1	31444	1	18369	1	1
C14 H25 N3 O3	1	9718	1	1	1	11949	1
C15 H41 N8 O S	1	12114	1	1	1	6725	1
C17 H29 N5 O	1	1	1	15313	1	1	1
C17 H31 Cl3 N6 O16 S +2.326625	1	1	1	1	1	72010	1
C19 H35 N15 O	1	1	1	1	1	1	7783
C19 H47 N16 O8 +6.882125	153842	77474	1	36069	1	1	1
C23 H12 N4 O24 S	32991	1	1	56517	1	1	1
C23 H2 N O17 S2	1	1	1	1	1	1	1
C23 H53 N4 O13	1	1	1	1	1	1	1
C24 H45 N O	1	1	1	1	1	1	1
C24 H8 N3 O25	75191	27305	1	1	1	1	1
C26 H53 N8 O10	1	1	1	1	1	1	1
C28 H49 Cl N5 O	1	1	1	1	1	1	1
C28 H57 N8 O11	1	1	1	1	1	1	1
C29 H57 N8 O11	312741	1	1	1	1	1	1
C3 H2 Cl2 N4 O S2 +2.378	1	1	1	5023	1	5621	1
C30 H46 N4 O7	1	1	1	1	1	1	13627
C30 H61 N8 O12	1	1	1	1	1	1	1
C30 H63 N O16	1	43008	37085	1	8174	1	1
C32 H44 N4 O4	1	1	1	1	1	1	1
C37 H41 N3 O2	14012	8409	1	1	1	1	7517
C44 H41 N17 O3 S4	1	1	1	1	12730	1	1
C48 H32 N20 O2 S2	1	1	1	1	1	1	1
C48 H78 O9	1	1	1	1	1	1	10677
C52 H38 Cl N3 O4	1	1	1	1	1	1	1
C9 H14	1	1	1	14921	11731	1	1
C9 H20 N2 O +5.5988746	1	257829	168835	1	1	1	94047
Carboxyspermidine	1	1	1	16465	1	1	25106
Chivosazole A	1	1	1	1	1	1	9449
Choline sulfate	1	1	1	67393	39292	1	1
Denticulaflavonol	1	1	5092	1	1	1	1
Deoxycytidine	1	1	1	1	1	1	1
Dihydrozeatin	1	15949	1	1	1	1	12351
Dimebolin	1	1	1	1	1	1	1
Enigmol	1	11617	1	1	9597	1	1
Fagomine +6.5762496	28865	1	1	671282	1	1	808951
Gentamicin C1a +3.491875	1	47783	1	1	1	1	1
Gly Phe	1	1	1	1	1	1	1
Gly Pro Ala	1	1	1	1	1	1	1
Hexanoylglycine +6.257875	1	1	1	1	1	1	1
Isouron	36647	1	134146	30769	1	1	122656
Kukoamine D	1	1	1	1	1	1	1
Leu Ala +7.3465	1	1	1	23843	1	1	48713
Limonene-1,2-epoxide	1	1	1	1	1	20226	34238
L-isoleucyl-L-proline	1	1	1	1	27582	1	10959
Lithocholate 3-O-glucuronide	1	1	1	1	1	1	1
Mesobilirubinogen +1.4195	1	1	23043	1	1	7640	1
Metabutethamine +6.25125	1	1	1	1	1	1	1
Metalaxyl +6.623	1	1	1	1	1	1	1
Methsuximide	1	1	1	1	1	1	1
Muscimol +5.958375	1	1	1	1	1	1	1
N-Hydroxy-L-phenylalanine +3.506	1	1	1	1	16153	1	16977
N-Methylanthranilic Acid	1	1	1	1	1	1	1
N-stearoyl proline	1	1	9993	1	1	1	1
para-Cresidine	1	1	1	1	1	1	1
Picolinic acid +6.5986247	1	1	58094	1	53111	1	39372
Piperidione	37052	1	1	30229	1	1	1
PS(O-20:0/0:0) +6.6311255	461535	1	1	26424	1	1	1
Pyroquilon	1	1	1	1	1	1	1
Quinagolide	5839	1	1	1	15030	1	1
Soraphen O	1	1	1	1	8708	8866	1
Taurine	1	1	1	23411	149824	1	1
THTC +3.40475	1	1	1	1	1	1	11333
Tricaine +7.961625	1	1	1	1	1	1	1
Tropine	1	8748	1	1	1	1	1
Tyr Leu +6.7387505	1	1	1	1	1	1	1
Tyr Leu +7.7433753	1	26139	17352	1	1	1	1
Undecylprodigiosin	1	1	1	1	1	1	1
(-)-Hygroline	1	1	25622	1	1	1	38752
(2-Naphthyl)methanol +1.33	1	21365	1	1	1	1	1
1,2-O-Diacetylzephyranthine	1	1	1	1	1	1	1
1007.8002@5.694572	10877	1	1	1	9540	1	1
1075.7867@5.6952853	1	1	1	1	1	9081	1
10-dodecynoic acid	1	1	1	1	1	1	1
1129.2916@1.0228571	1	1	1	1	1	1	1
1143.7743@5.6945715	1	8530	1	1	8684	8505	1
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +1.1934286	8344	1	1	1	1	1	1
12S-hydroxy-16-heptadecynoic acid	1	1	1	6607	1	1	1
13,14-epoxy Fluprostenol Isopropyl Ester	1	7028	1	1	1	1	1
17-Epiestriol	1	1	1	1	1	1	1
195.1473@1.7088572	1	1	1	1	1	8013	1
1a,1b-dihomo-PGE1	1	1	1	1	1	1	1
1a,1b-dihomo-PGE1 +1.1812857	1	1	1	1	1	1	1
2,6-Diamino-4-nitrotoluene	1	1	88139	1	1	1	1
208.1728@1.1417143	1	1	1	1	52080	26882	1
2-Amino-5-oxohexanoate +6.7047143	1	1	1	1	1	7322	1
2E,4E,8Z,10E-dodecatetraenoic acid +1.2168571	1	1	1	20010	1	1	1
2-methylbutanal oxime +5.7497144	1	1	1	1	1	1	1
2-Pyridylethanol +5.4207144	1	1	1	1	1	1	1
2-Pyridylethanol +5.8159995	1	1	1	1	1	1	1
3-(N-Nitrosomethylamino)propionitrile	1	1	60839	1	227132	1	5037809
3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate	1	1	1	1	1	1	1
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +1.3784286	1	1	1	1	1	1	1
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid	1	1	1	1	11179	1	1
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.8387144	1	1	1	1	33861	1	1
304.1131@1.5714285	7393	1	1	1	1	8879	1
3-Amino-?-pinene	1	14067	1	1	12046	1	1
3-Hydroxybiphenyl +4.5870004	1	1	1	1	1	1	1
428.7594@6.0831428	1	1	1	1	1	1	1
464.7799@5.8475714	24640	1	1	27425	1	1	1
4-Guanidino-1-butanol +6.732857	1	1	1	138548	28197	1	293193
5?-Cyprinolsulfate	1	1	1	1	1	1	1
583.8508@6.6655707	92005	38084	1	1	1	1	36214
5-Azacytidine	1	1	1	1	1	1	1
655.219@1.0305713	1	1	1	1	1	1	1
7-Sulfocholic acid	6855	1	1	5913	1	1	1
8-Hydroxy-7-methylguanine	1	36156	1	1	34493	1	1
8-Hydroxyapigenin 8-(6''-E-p-coumaroylglucoside)	1	1	1	1	1	1	1
8-Isoquinoline methanamine	1	1	1	1	1	1	1
8-methylcaffeine +6.0638576	1	1	1	1	1	1	1
981.2629@1.0152857	1	1	1	1	1	1	1
Ala Pro	1	26921	1	1	1	1	1
Anthranilic acid	1	1	1	25709	1	1	1
Arbutin	1	5803	1	1	1	1	1
Bellendine	1	1	1	1	1	1	1
Bestatin +6.438714	1	1	1	1	1	1	1
Butopyronoxyl	1	1	1	1	1	1	1
C11 H13 N O5	1	51473	1	1	1	1	1
C11 H13 O2 S2	1	1	1	1	1	1	6739
C11 H20 N2 O4	1	1	1	124470	320043	1	1
C11 H22 N2 O2 +2.026	1	15714	17773	1	10193	1	1
C15 H23 N O6	1	1	1	1	1	14612	1
C15 H27 N O2	1	1	28422	1	36037	11286	1
C15 H33 N6 O6	1	1	1	1	1	1	1
C16 H14 N O21	23702	1	7199	1	1	1	1
C16 H18 N9	1	1	1	1	1	1	16848
C17 H18 N6	5335	1	5672	1	1	1	12729
C17 H22 N O	1	1	1	1	1	1	1
C17 H43 N7 O3	1	20553	1	1	14434	1	1
C18 H29 N O2	1	1	1	1	6312	1	1
C19 H41 N8 S2	1	1	1	1	1	1	10239
C20 H42 O4	1	17481	1	11039	1	1	1
C21 H39 N15 O2	1	1	1	1	1	1	8375
C21 H41 N5	1	1	1	1	6969	1	1
C22 H45 N8 O3	1	8093	1	1	1	1	1
C23 H42 Cl N2	1	1	1	1	1	1	6902
C23 H43 N8	1	1	1	1	1	9226	1
C23 H47 N8 O2	1	28401	1	1	1	1	1
C24 H35	1	1	13488	1	1	1	12735
C24 H47 N O +1.1307143	1	1	8924	1	5998	1	1
C25 H45 N12	1	5537	1	1	1	1	1
C25 H51 N8 O3	1	18822	1	1	1	1	1
C26 H2 N2 O27 S2 +5.7047143	1	1	1	1	1	29992	1
C30 H59 N S2	1	1	5879	1	1	1	1
C35 H52 N S2	6974	1	1	1	1	1	1
C35 O25 S	14127	13082	1	1	1	9315	12792
C40 H33 N15 O S3	1	1	1	1	1	1	15167
C41 H63 N5	1	1	1	6004	1	1	1
C41 H77 N11 O	1	11613	1	1	5358	1	1
C47 H72 N7 O3	1	1	1	1	5194	1	5339
C48 H20 Cl N7 O	1	1	1	1	5450	1	1
C5 H6 O	71186	1	1	124851	1	1	304875
C6 H10	1	1	13488	1	1	1	5704
C8 H2 N O6 S	1	28016	1	1	1	1	1
C9 H18 N2	17894	14550	1	1	16389	1	20786
Clofibrate	1	7366	1	1	1	1	5579
Coprine	1	9183	1	1	1	1	1
Cytosine	1	1	1	1	1	1	1
Desmethyl fluvoxamine	1	1	1	1	1	1	1
Dimethylaminoethyl reserpilinate	1	1	1	1	1	6846	1
Dioxacarb +1.3212858	1	1	1	1	1	90989	1
Erythroxanthin	1	1	6705	1	1	1	1
Ethyl isobutyl ketone	1	1	1	1	1	1	1
Evasterioside C	1	1	1	14637	11899	1	101543
Grayanotoxin I	14679	1	1	1	1	1	1
Harzianopyridone	1	1	1	1	1	1	1
Hecogenin Acetate	1	1	1	1	1	10622	1
hexadeca-7,11-dien-1-ol	11545	1	1	1	1	1	1
Hydroxyphenoxyethylaminohydroxypropanol	1	1	1	1	1	1	1
Iprovalicarb	1	1	1	1	1	1	1
Isopropenylacetic acid +1.1948572	6420	8005	1	1	1	1	1
L-Adrenaline +3.0802858	1	1	1	1	10158	1	7108
L-Alanine +6.6338573	1	1	28878	1	1	1	1
Lentiginosine	1	1	1	1	1	1	1
Lentiginosine +1.7634287	1	1	1	1	1	1	1
lithocholic acid sulfate +6.186286	36108	1	1	1	1	1	27775
L-Lysine	1	1	1	1	68711	1	1
methyl 10,12,13,15-bisepidioxy-16-hydroperoxy-8E-octadecenoate	1	5489	1	1	1	1	1
Methyldopate +7.0251427	1	1	1	1	1	1	1
Methyldopexamine sulfate	1	1	1	1	1	1	1
Mexacarbate	1	1	1	1	1	1	1
N(6)-Methyllysine	1	115576	1	1	1	25042	1
N2-(D-1-Carboxyethyl)-L-lysine	1	1	7877	1	16633	1	1
N-Cyclohexylformamide	1	1	1	953501	1	1	1400545
N-Cyclohexylformamide +6.3184285	1	1.51E+07	1923832	1	1	1	1755754
N-methyl-Gabapentin	1	5544	1	1	1	1	1
N-oleoyl phenylalanine	1	12215	1	1	1	1	1
Noruron	1	1	44733	1	9318	1	1
O-propanoyl-carnitine	1	1	1	1	1	1	1
Otonecine +2.363857	1	1	1	1	1	1	1
Palmitoyl dopamine	1	1	1	1	1	1	1
PE(16:1(9Z)/0:0)	21420	1	1	1	1	1	1
PE(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) +7.655143	31686	1	1	31524	1	1	1
PE(20:5(5Z,8Z,11Z,14Z,17Z)/17:2(9Z,12Z))	1	1	1	1	1	1	1
PE(9:0/9:0)[U] +6.2961426	1	25270	1	1	1	1	25632
Pentacarboxyl porphyrinogen III	1	1	8546	1	10746	1	1
p-Hydroxynorpseudoephedrine +3.0525715	1	1	1	1	1	10036	27638
PS(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) +5.932143	1	1	1	1	1	1	1
Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside]	1	8584	1	1	1	5745	1
Ricinine	1	17798	26499	45559	1	1	1
Scopolamine N-oxide +2.4082859	1	1	1	1	21063	1	30660
Secnidazole +6.133714	1	1	38454	1	1	6579	1
Supinidine	1	1	1	1	1	15572	1
TG(18:1(9Z)/18:1(9Z)/18:3(9Z,12Z,15Z))[iso3]	7350	1	7459	6323	1	1	1
Thr Leu	1	1	10914	1	16047	1	1
Trolamine +6.057	1	1	14123	1	13459	1	1
Trp Ile	1	1	11067	1	1	1	35028
Val Gly Ile	1	1	11946	1	9233	1	1
Val Val	1	1	1	1	20229	1	12242
Vitamin E succinate(tocopherol succinate)	1	1	1	1	1	7142	1
V-PYRRO/NO	1	1	24210	1	1	1	1
Xanthosine	1	5696	1	1	1	1	1
(-)-Pellotine	1	1	1	1	1	1	1
(+)-7beta-Hydroxy-15-beyeren-19-oic acid	5520	1	1	1	1	1	1
(E)-2-Butenyl-4-methyl-threonine +6.1094995	1	1	1	1	1	1	1
(E)-2-Butenyl-4-methyl-threonine +6.633	1	1	1	1	1	1	1
(S)-b-amino-isobutyric acid	32298	1	1	1	1	1	1
?-PHENYL-gamma-Aminobutyric Acid	1	1	1	1	1	1	1
1,2-Didecanoyl-sn-glycerol	1	1	1	1	1	1	1
1,5-Naphthalenediamine	1	1	1	1	1	1	1
1057.2736@1.0325	1	7374	5516	5329	1	1	1
109.0012@7.2990003	1	1	1	1	1	1	1
10-nitro,9Z,12Z-octadecadienoic acid	1	1	1	1	1	1	12686
11?-Prostaglandin F1?	1	1	1	12438	1	1	1
12,13-DiHOME	1	1	1	1	1	1	17252
17beta-Methylestra-1,3,5(10)-trien-3-ol	1	1	1	1	1	1	5768
1-Methylhypoxanthine +3.0830002	1	13271	1	1	1	16368	1
1-Pyrroline	1	12612	1	1	11901	1	1
2,4-Diamino-6,7-dimethoxyquinazoline +2.3823335	1	1	41447	1	25886	1	1
24,24-difluoro-25-hydroxyvitamin D3 / 24,24-difluoro-25-hydroxycholecalciferol	1	1	1	1	1	1	1
24,24-difluoro-25-hydroxyvitamin D3 / 24,24-difluoro-25-hydroxycholecalciferol +1.8376665	1	1	1	1	10195	1	1
26-Hydroxybrassinolide +1.3845	1	8224	1	1	1	1	1
27-Norcholestanehexol	9581	1	1	1	1	1	1
2-amino-8-oxo-9,10-epoxy-decanoic acid	1	1	1	1	1	1	1
2-Methylindoline	1	1	1	1	1	1	1
2-oxo-tetradecanoic acid	12383	1	1	1	8278	1	1
3-Dehydrocarnitine +6.185	1	1	11177	1	1	1	1
3'-dihydroxyflurbiprofen	1	1	24294	1	17307	1	1
4,8 dimethylnonanoyl carnitine	5393	1	1	1	1	1	1
415.7616@5.9366665	1	1	1	1	1	1	1
459.7881@6.200833	1	1	1	1	1	1	1
481.8011@6.315333	1	1	1	1	1	1	1
4-Dimethylamino-L-phenylalanine +4.039667	1	1	1	1	1	1	1
4-hydroxy-3,5-bis(1-methylethyl)phenyl glucuronide	1	1	1	1	13201	1	1
503.8142@6.4303336	1	1	1	1	1	1	1
517.8115@6.4086666	116378	1	1	1	1	1	1
517.8116@6.3291664	58708	16107	1	1	1	1	24481
530.8195@6.3286667	5012	1	1	14826	1	1	1
535.1578@1.0271666	1	1	11506	1	77785	1	21842
547.8405@6.6576667	1	1	1	1	1	1	1
5beta-Chola-3,8(14),11-trien-24-oic Acid +1.8381667	1	1	1	1	34256	1	1
5-Hydroxy-3,4-dihydrocarbostyryl +3.5035	1	1	1	1	1	1	10089
605.8639@6.8696666	1	112863	1	1	1	1	1
666.1688@1.02	1	1	1	1	1	1	1
710.0619@2.2053335	13917	1	1	1	1	1	1
791.6634@1.0201666	1	1	1	1	1	1	1
7-Oxoheptanoic acid +7.3506665	1	38677	1	1	1	1	25526
871.825@5.6954994	1	1	1	1	1	1	1
8-Epiiridotrial glucoside	1	1	1	1	1	1	1
8-Hydroxyadenine +2.9486666	1	1	1	1	11868	1	1
8-methylcaffeine +1.7191664	1	1	22030	1	1	1	1
9,13-dihydroxy-12-ethoxy-10-octadecenoic acid	1	1	1	16461	1	1	1
9Z-Heptadecenal	1	1	25555	27151	1	1	1
aminocaproic acid +1.2785	1	1	1	1	1	1	1
AminoDHQ	1	1	1	1	1	1	1
Anthopleurine	1	1	1	1	30392	1	1
Benzo[a]pyrene-trans-11,12-dihydrodiol	1	14986	1	1	1	1	1
Biotripyrrin-b	11445	1	1	6373	1	1	10875
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe	1	1	1	1	14198	1	13913
C10 H14 O5	1	1	14609	1	1	1	1
C10 H21 Cl N2 O	1	1	1	1	1	8552	1
C10 H4 Cl N3 O S4	1	1	1	1	1	1	13010
C11 H15 N3 O3	1	1	22804	14369	1	1	11947
C11 H19 N5 O2 +6.490333	1	1	7830	1	16852	1	1
C11 H23 N O4	1	1	1	1	1	1	1
C12 H19 N3 O3	12727	1	45808	12485	1	1	1
C15 N O17 S3	116143	1	1	1	1	1	1
C16 H33 N8 O4	1	1	1	1	1	1	1
C17 H47 N14 O9	1	1	1	1	1	1	1
C18 H Cl2 N O3 S2	1	1	10154	1	1	1	1
C18 O19 S2	293682	92334	1	1	1	1	1
C19 H28 N4 O10 S	1	1	1	1	1	1	32384
C22 H28 N S5	1	1	1	1	1	1	1
C22 H37 N15 O3	9985	6062	1	1	1	1	1
C22 H40 N11	1	1	1	1	1	6835	7972
C22 H52 N26	1	1	1	1	1	1	1
C23 H3 O4	1	1	15364	1	1	1	1
C23 H32	1	1	1	1	1	1	1
C23 H37 N22	5840	1	1	1	1	1	1
C25 H16 N11 O14	30083	1	1	1	1	1	1
C25 H40 N7 O2	19973	1	1	1	1	1	1
C25 H53 N11 O3	1	14099	1	1	1	1	1
C28 H51 Cl N5 O2	1	1	1	1	1	1	1
C28 H52 N13 O10	1	1	1	1	1	1	1
C29 H42 N O3	1	1	1	1	1	1	1
C29 H49 N21 O2	25225	1	1	1	1	1	1
C30 H12 N3 O21 S	1	1	1	1	1	1	1
C30 H50 N2 S	1	1	1	1	8526	1	1
C31 H32 N13 O3	1	1	1	1	1	1	56477
C32 H42 N11 O2	1	1	1	1	1	1	1
C32 H44 N4 O4 +1.4916667	8003	1	1	1	1	1	1
C34 H25 N8	1	1	1	1	1	1	1
C41 H29 N22 O S2	1	1	1	1	1	1	1
C42 H41 N9 O	1	25498	1	1	1	1	1
C45 H26 N20 O2 S	1	1	1	1	1	1	1
C48 H80 O10 +1.8385	1	1	1	1	56302	1	1
C5 H2 N2 O4 S	49716	67207	1	1	1	1	1
C5 H7 N O	1	1	1	47551	1	1	104160
C51 H36 N17 O2 S2	1	1	11701	12797	1	1	1
C55 H61 N9 O2	1	1	1	1	5581	1	1
C57 H67 N O10	1	190537	1	1	1	1	24790
C6 H16 N O4	1	159838	21237	1	1	1	24580
C9 H16 N2 O2	1	1	1	1	1	1	1
C9 H21 N O7	1	1	71424	1	56954	1	1
Capryloylglycine	1	7797	1	1	1	1	1
Cassaidine +1.4556667	10478	1	1	13500	1	1	1
cholest-5,24-dien-3beta-ol 3-O-beta-D-glucopyranoside +2.3913333	1	1	1	6338	1	1	1
Cimicifugoside	12553	1	1	1	1	1	1
cis-Zeatin +5.3156667	1	1	1	1	34700	1	1
Cyclopropanecarboxylate	1	1	1	82646	73199	1	1
Cys Lys Asn	1	1	1	1	1	1	32741
d-Dethiobiotin +6.8815002	1	1	1	1	1	1	1
d-Dethiobiotin +7.7555003	1	1	1	1	76280	11427	1
Dihydroxycarteolol M2	1	1	1	1	1	1	7739
Dinoflagellate luciferin	1	1	1	1	10173	1	17821
Erybraedin E	1	1	1	1	1	1	1
Fenuron +4.7846665	1	117985	20796	1	1	1	23640
Feruloylagmatine	1	1	1	1	7250	1	1
Furanodienone	1	1	1	1	1	1	1
Gabaculine +6.205666	1	1	1	1	1	1	1
Gentamicin C1a	1	1	1	1	1	1	1
Gln Ile Glu	1	1	1	1	1	1	1
Halaminol A +3.7841666	1	1	1	11373	1	1	1
Harzianopyridone +7.529	1	1	1	1	1	1	1
Hippurin-1	6658	1	1	1	1	1	7075
His Lys Met	1	1	1	1	1	1	1
His Pro +6.0646667	1	14547	11962	1	1	1	1
Homaline	67788	1	1	1	1	1	1
Isoquinoline N-oxide	1	1	1	1	1	1	1
I-Urobilin +2.2350001	8351	1	1	1	1	1	1
Kanakugiol	7999	1	1	12212	1	1	12781
Kurilensoside G	1	1	1	9242	1	1	1
L-4-Hydroxy-3-methoxy-a-methylphenylalanine +6.785834	1	1	1	1	1	1	1
L-Adrenaline +1.8383332	1	15669	1	1	1	1	1
Lanceotoxin B	1	1	1	1	1	1	48152
L-Homotyrosine +6.0679994	1	1	1	1	1	1	1
L-prolyl-L-glycine +5.375	1	1	1	1	1	1	1
Lupanyl Acid	1	9624	1	7069	1	1	1
MEGA	9012	1	1	1	1	6558	1
Met Ala	1	1	1	1	1	1	7615
Metalaxyl +6.3266664	1	1	1	1	1	1	1
Metamitron	1	1	23512	1	19815	1	1
Methylenediurea	1	22978	1	1	1	1	5950
MID42017:26,26,26,27,27,27-hexafluoro-25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / 26,26,26,	1	1	1	1	1	1	1
N-Acetyl-DL-methionine	1	10386	1	1	1	1	1
N-isovalerylglycine +6.6409993	1	29030	38528	1	1	1	1
N-Nitrosodi-n-butylamine	1	1	51014	16270	1	1	73406
Nordihydrocodeine	1	5955	1	1	1	1	1
Otonecine +2.2245	1	1	1	1	1	1	1
Perindoprilat lactam A +1.43	1	1	1	1	1	1	1
PG(O-20:0/20:5(5Z,8Z,11Z,14Z,17Z))	1	1	1	1	9263	1	1
Phenyl glucuronide +1.3334999	1	1	1	1	10368	1	10875
PI(22:2(13Z,16Z)/0:0)	1	1	1	1	1	1	11320
Piperidione +2.4236667	1	1	50626	12270	28522	1	12750
Polidocanol	1	8783	1	1	1	1	1
Polygonolide +1.7611666	1	1	1	1	1	1	1
Powelline +6.5831666	1	1	1	1	1	1	1
Procaterol +1.2671667	1	1	5181	1	7944	1	6824
Prohydrojasmon +1.1158333	1	7209	1	14439	1	1	1
Prohydrojasmon +1.1356667	1	1	1	1	12072	1	1
Propionyl-L-carnitine	1	1	1	22510	1	1	1
PS(19:0/0:0) +6.5103335	201906	1	1	1	1	1	1
Secnidazole	1	1	18337	1	1	1	1
Sphingofungin E	7018	1	1	1	5189	1	1
TG(16:1(9Z)/18:0/18:1(9Z))[iso6]	22674	17259	1	1	1	1	1
Thalsimine	1	1	1	1	26463	1	1
Trichostatin A +1.4079999	1	1	1	1	34703	1	1
Trichostatin A +1.7003335	1	1	1	1	10974	1	14921
Trinexapac-ethyl	1	1	1	1	1	1	1
Tyr Leu +6.9038334	1	1	1	1	1	1	1
Val Asp Gly +6.9065	1	1	1	1	1	1	1
Val Tyr +6.113333	1	10135	1	1	1	15970	1
Val Val +7.144833	1	1	1	8448	6640	1	1
V-PYRRO/NO +6.7351665	9479	1	1	12018	1	1	1
(-)-Asbestinine 2	12166	1	1	1	1	1	1
(+)-3,7(11)-Acoradiene	1	1	1	1	1	8234	1
(2-Naphthyl)methanol	1	1	1	1	1	1	1
(S)-ATPA +7.7368	1	1	1	1	1	1	1
(S)-Piperidine-2-carboxamide +9.182401	1	1	28485	1	1	24956	1
1,2-Propanediol, 3-[[2-(2-methoxyphenoxy)ethyl]amino]	1	1	1	1	1	1	1
1,5-Naphthalenediamine +1.5698	16999	1	1	1	9187	1	1
10-Hydroxymorroniside	1	1	1	1	18079	1	1
10-oxo-nonadecanoic acid	1	1	1	1	1	1	1
11(S)-HEPE	1	1	1	1	1	1	1
1131.3047@1.0552	1	7661	1	1	1	1	6433
1148.316@1.0064	1	1	1	1	1	1	1
11-lauroleic acid +1.2702	1	16030	1	1	1	1	1
1202.326@1.1001999	1	23396	1	1	1	1	1
13,14-dihydro-15-keto Prostaglandin J2	1	29748	1	1	1	1	1
1381.7285@5.7016	1	1	1	10603	1	1	1
13Z-octadecenoic acid	1	5642	1	1	1	1	7529
14E-Octadecenal	1	1	1	1	1	1	1
15(R)-17-phenyl trinor PGF2? isopropyl ester	1	1	1	1	1	1	1
173.1413@5.8785996	1	1	1	1	1	1	7511
2,3,5-Trimethacarb +5.9592	1	1	1	1	1	1	1
2,3-dinor, 6-keto-PGF1?	1	1	1	1	5906	5995	1
2,4,6,8,10-dodecapentaenal	1	1	1	1	1	1	1
2,4-Diamino-6,7-dimethoxyquinazoline	1	1	1	1	1	1	1
2,5-Dichloro-4-oxohex-2-enedioate +5.9761996	1	1	1	1	1	1	1
2,5-undecadienal +7.4126	1	1	1	1	1	1	15648
24S-methylcholest-22E-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25,28-nonol	1	1	1	1	5171	1	1
276.9668@2.7870002	1	1	1	1	10262	1	10174
2-Amino-4-oxo-6-(erythro-1,2,3-trihydroxyprolyl)-7,8-dihydroxypteridine triphosphate	1	1	1	1	1	1	1
2-Amino-5-oxohexanoate	1	1	1	295823	1	1	1
2-amino-8-oxo-9,10-epoxy-decanoic acid +2.8276	1	1	1	1	1	1	1
2-oxo-docosanoic acid +1.0406001	1	1	1	1	1	1	1
2-oxo-docosanoic acid +4.238	1	1	1	1	1	1	1
2-Phenylbutyramide	1	1	1	1	1	1	1
2R-aminoheptanoic acid +6.2402	1	39722	1	1	1	1	1
2-tridecene-4,7-diynal	1	1	1	1	10117	1	10400
3-(6'-Methylthio)hexylmalic acid +2.389	1	1	17907	1	12042	1	1
336.2449@1.2414	1	1	1	1	1	1	10818
3-Aminobenzamide	1	1	18527	1	1	1	35760
3-Dehydrocarnitine +6.4708	1	1	1	1	1	1	1
3-methoxy Prostaglandin F1?	1	1	1	8382	1	1	1
3-Methoxyestra-1,3,5(10),16-tetraene	1	1	1	1	10431	1	16299
3-O-Methylrimiterol +7.7005997	1	8898	7360	1	1	1	1
3-oxo-nonanoic acid +4.9768	1	1	1	1	1	1	1
3S-hydroxy-dodecanoic acid	1	24607	1	1	1	1	1
415.3584@1.0352	5955	1	8632	1	1	1	8197
450.7729@6.198	1	1	1	1	1	1	1
486.7929@6.0576	1	1	1	21147	1	1	1
495.7987@6.2128	1	18186	1	1	1	1	1
4-Hydroxy-2-quinolone	1	1	1	1	31432	1	1
4-Methylaminobutyrate +6.4024	1	1	1	1	1	99987	1
4-octenal	1	1	1	1	1	1	1
4-oxo capric acid	1	1	1	1	1	1	1
4Z-tetradecenoic acid	1	1	1	8551	1	1	1
508.8061@6.1822004	10916	1	1	1	1	1	1
526.6542@7.5973997	1	1	1	1	1	1	1
659.5332@1.024	8546	1	1	1	6565	1	1
6E-nonenoic acid	1	1	1	1	1	1	1
708.7627@8.960199	25308	1	1	1	1	1	1
7-Methylxanthine +2.0888	1	11105	1	8716	1	1	1
8-(5-hexyl-furan-2-yl)-octanoic acid	19127	1	1	1	1	1	1
8?-Hydroxycarapin, 3,8-Hemiacetal	1	1	1	1	1	1	1
845.2832@1.0168	5332	1	1	1	1	1	1
906.2523@1.0225999	1	1	1	26596	1	1	1
AG-99	1	1	1	1	1	1	25516
Ala Pro +7.4105997	1	1	1	1	19027	1	1
Ammodendrine	1	1	1	1	8912	1	1
Anhalonidine	1	1	1	1	1	1	1
A-Norpregn-3(5)-ene-2,20-dione +1.341	1	1	1	1	1	1	1
benzylazanium +5.4168005	1	1	1	1	1	1	1
Bestatin	1	1	1	1	1	1	12288
Bestatin +3.1152	1	1	1	1	1	1	1
Butopyronoxyl +1.1004	1	1	1	11417	19686	1	1
C10 H16 N4 O +1.6906	6827	1	1	1	29096	1	1
C13 H11 N5	1	1	1	1	1	1	1
C13 H13 N O3	1	22943	1	1	1	1	1
C13 H14 N9 O	1	1	1	1	1	1	1
C14 H15 N5 O2	1	1	1	1	1	1	1
C14 H18 N3 O	1	1	1	1	1	1	1
C15 H21 N2	1	8838	1	1	1	1	1
C15 H25 N2 O	1	1	1	1	1	1	1
C15 H29 N8	1	1	1	1	1	1	5989
C16 H42 N15 O7	1	1	1	19378	1	1	1
C17 H22 N O2 +1.2806002	1	1	1	1	1	1	1
C17 H28 N15	8312	1	1	1	1	1	1
C17 H31 N8	1	1	1	1	1	1	10919
C17 H42 Cl2 N9	1	1	6221	1	1	1	1
C18 H38 O10	16430	101345	1	1	1	1	1
C18 H40 S2	1	21634	1	1	1	1	1
C18 H43 N7 S2	1	8876	1	1	1	1	1
C19 H20 N O2	1	1	1	7000	1	1	1
C19 H30 N	1	1	1	1	1	1	1
C21 H15 N9 O6	1	1	1	1	1	1	19221
C22 H4 N3 O24 +7.2907996	176817	1	1	1	1	1	1
C23 H41 N +3.8279998	1	27493	1	1	1	1	1
C23 H47 N8 O	1	16009	1	1	1	1	1
C23 H49 N S2	1	1	1	23324	1	1	1
C24 H44 N15 O4	1	1	1	1	1	1	1
C24 H45 N15 O3 +4.1292	1	1	1	1	1	1	7647
C24 H8 N3 O25 +7.4602	12510	1	1	1	1	1	1
C25 H15 Cl N11 O	1	1	1	1	7378	1	1
C25 H45 N6	1	1	1	5426	1	7168	6791
C25 H5 N2 O4	1	1	1	1	1	1	1
C25 H50 Cl N6	1	1	1	7628	1	1	1
C25 H53 N11 O8	1	1	1	1	1	1	1
C27 H36 N4 O3	9764	1	1	1	1	1	1
C29 H49 N22 O2	1	1	1	40636	1	1	1
C30 H58 Cl N3 O2	10802	1	1	1	1	1	1
C31 H54 O7 S3	1	1	1	1	6442	1	1
C32 H36 N11 O2	1	1	1	1	1	1	27435
C33 H46 N4 O7	1	1	1	1	1	1	1
C33 H67 N4 O5	1	5437	1	1	1	1	1
C34 H73 Cl2 N7 O2	1	8679	1	1	1	1	1
C39 H45 N4 S5	1	1	1	1	1	1	1
C40 H79 N O4	1	1	1	1	1	1	1
C40 H83 N +3.6531997	1	1	1	1	1	1	1
C40 H83 N11 O4 S	7282	10542	1	1	1	1	1
C47 H62 O2	1	1	1	1	1	1	1
C57 H105 N5 S2	23075	16919	1	1	1	1	1
C57 H67 N S2	1	1	1	1	1	1	1
C7 H12	1	1	1	1	1	1	1
C9 H14 N6 O6	1	1	1	1	21420	1	1
C9 H17 N3 O	1	1	44963	1	1	1	14600
Cinobufotalin	1	1	1	1	1	7931	1
Cymather aldehyde methyl ester +1.1653999	1	1	1	1	1	1	1
dexpanthenol	9882	7809	1	1	1	1	1
Diaziquone	1	1	1	1	1	1	12062
Dihydroxymelphalan +2.9492	1	1	1	1	1	1	1
Diminazene	1	1	1	1	1	1	1
Estradiol Cypionate	1	1	1	8352	1	1	1
Fortimicin AP	1	1	1	1	1	1	1
Glu Ala Ala	1	1	1	1	1	1	1
Gossypetin 8-glucuronide	1	1	1	1	1	1	14259
Granisetron metabolite 3	1	1	1	5111	1	1	1
Heptabarbital	1	1	1	1	1	1	1
Heptanoic acid	1	1	1	1	1	5742	1
Hydroxyphenoxyethylaminohydroxypropanol +2.6581998	1	8776	1	1	1	1	1
Indicumenone	1	1	1	1	1	1	1
Irinotecan	1	1	1	1	1	1	24347
Isodomoic acid A +1.5122	1	1	13938	8497	1	1	1
Isonicotineamide +1.7034	1	1	40166	1	1	1	57778
I-Urobilin +1.4086	1	1	1	1	1	1	52903
L-4-Hydroxy-3-methoxy-a-methylphenylalanine +6.6811996	1	1	1	1	1	1	1
L-Dopa +6.4378	1	15041	1	1	1	1	1
Leu Asp	1	1	1	1	1	1	1
Leupeptin +1.3506	15951	1	1	8089	1	1	1
L-Glutamic acid dibutyl ester	1	1	1	1	1	1	1
Linoleoyl Ethanolamide	1	1	1	16686	1	1	10878
L-isoleucyl-L-proline +8.121401	1	1	1	1	2044889	1	1
Lithocholic acid glycine conjugate	1	1	1	1	1	1	1
L-O-Methylthreonine +7.0216	1	1	1	1	1	12955	32758
L-prolyl-L-proline +2.6462	1	1	1	1	1	1	1
Lys Lys Lys +1.227	1	1	1	19961	1	1	1
Mandelonitrile	1	1	1	1	1	1	1
Methenamine	1	1	1	1	1	1	1
Methoxyhydroxymethylhydrocinnamic acid	7884	1	1	1	1	1	1
Methyl o-methoxyhippuric acid	1	1	1	1	1	1	1
Mexacarbate +6.3808002	1	1	1	1	1	1	1
MID42011:1?-hydroxy-24-(dimethylphosphoryl)-25,26,27-trinorvitamin D3 / 1?-hydroxy-24-(dimethylphosp	1	1	1	6957	1	1	1
MID42020:26,26,26,27,27,27-hexafluoro-1?,25-dihydroxy-23,23,24,24-tetradehydrovitamin D3 / 26,26,26,	1	1	1	1	8627	1	1
Midodrine	1	1	1	1	1	1	13710
N-(Acetyloxy)benzenamine	1	1	25817	1	1	1	1413454
N-alpha-Acetyl-L-2,4-diaminobutyrate	1	1	26338	1	1	1	20476
N-Hydroxy-L-phenylalanine +1.4333999	1	1	1	1	1	1	33891
N-Hydroxy-L-phenylalanine +6.0332	1	1	1	16775	1	1	1
Nordihydrocodeine +2.0882	1	1	1	1	1	1	1
N-palmitoyl glycine	1	1	1	1	1	1	1
N-palmitoyl proline	1	1	10739	1	1	1	1
n-Pentadecylamine +4.1962	1	1	1	1	1	1	1
Orthoform	1	1	28169	1	1	1	1
Pandamine	1	1	1	16856	1	1	1
PE(16:1(9Z)/0:0) +6.1692	19217	1	1	1	1	1	1
PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) +5.4258	10455	1	1	1	1	1	1
Phenmedipham	1	1	17387	1	1	1	38075
PI(12:0/12:0) +7.3607993	1	1	1	1	1	1	1
Piperidine +5.9224	1	30558	1	1	1	1	1
Plastoquinone-1	1	18716	1	1	1	1	1
Prilocaine	1	1	1	1	1	1	1
Promacyl	1	1	1	1	1	1	13439
Prosopinine	1	20279	1	1	1	1	14764
PS(19:0/18:4(6Z,9Z,12Z,15Z))	1	1	1	1	1	1	7735
Remikiren +5.3978	12564	1	1	1	1	1	1
Rubraflavone C +9.3562	1	1	1	1	1	1	1
Secbumeton	1	1	1	1	1	1	1
Sucralose	1	7248	1	1	1	1	1
Tauroursocholic acid +3.101	19024	1	1	1	1	1	1
TG(18:0/14:0/16:1(9Z))[iso6]	11800	5688	1	1	1	1	1
TG(18:0/14:0/18:1(9Z))[iso6]	11172	6498	1	1	1	1	1
Thalsimine +1.4256	1	1	1	1	1	1	8433
Toluene	1	1	1	1	1	1	1
Trichostatin A +2.4312	1	1	1	8082	1	1	24475
Trp Trp Lys	1	1	1	1	1	1	1
Tyr Thr Ala	1	1	1	1	1	1	1
Val Ile	1	1	1	16169	1	1	31694
(10S)-Juvenile hormone III diol	10522	1	1	1	1	1	1
(4OH,8Z,t18:1) sphingosine	1	6179	1	1	6163	1	1
(E)-2-Butenyl-4-methyl-threonine +6.1850004	1	1	1	1	1	1	1
?-Hexalactone +1.1795	1	9434	1	1	1	1	1
?-PHENYL-gamma-Aminobutyric Acid +5.30375	1	1	7441	1	1	1	1
1-(5-Hydroxy-2-pyrimidinyl)piperazine	32201	8600	1	1	1	1	1
1,1-Diphenyl-2-(4-methoxyphenyl)propene	1	39205	1	1	1	1	1
1',2'-Dihydrochlorobactene	1	1	1	1	1	1	1
1,3-Butadiene	1	1	1	11519	1	1	15943
1,4-Dioxane	12625	1	1	1	1	1	1
1055.2809@1.0444999	1	1	1	1	1	1	1
1082.7946@5.6969995	1	1	1	1	1	1	1
10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid	1	1	1	1	1	1	1
10-nitro-9E-octadecenoic acid +1.10425	1	1	1	1	9420	1	1
1108.5476@1.04275	1	1	1	1	1	1	5186
1109.7795@5.6805	1	1	1	1	1	1	1
1131.2806@1.01925	1	1	1	1	1	1	1
1218.7678@5.6942496	1	1	1	1	1	1	1
1222.3347@1.00775	1	1	1	1	1	1	1
1296.352@1.01225	1	1	1	1	1	1	1
12-amino-octadecanoic acid	1	8644	1	1	14120	1	1
12-oxo-10Z-octadecenoic acid +1.3195	1	1	1	1	1	1	1
13-ethyl-16,17-dihydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one	1	1	1	1	1	1	1
13-hydroxy-docosanoic acid	1	1	1	1	1	1	1
15(S)-HETE-biotin	1	1	1	1	1	1	1
15(S)-HETE-biotin +4.476	1	1	1	1	1	1	1
1585.6914@5.6945004	1	1	1	6155	1	1	1
191.1163@6.673	1	1	1	1	1	1	1
1-Aminocyclohexanecarboxylic acid +1.9605	1	1	1	1	1	1	1
1-Aminocyclohexanecarboxylic acid +5.94425	1	45917	1	1	1	1	1
2 -(Butylamido)-4-hydroxybutanoic acid	1	1	1	1	1	1	15512
2-(N-morpholino)ethanesulfonic acid	1	20770	1	1	1	1	6449
2,4-Diamino-6,7-dimethoxyquinazoline +2.2867498	1	1	1	1	1	1	1
296.1727@6.52725	1	1	1	1	1	1	1
2-Benzimidazolylguanidine +6.064	1	1	1	1	1	1	1
2-demethylmenaquinone-8	1	1	1	1	1	6062	1
2E,4E,8E,10E-Dodecatetraenedioic acid	1	1	1	1	1	1	1
2-Hexynoic acid, 6-hydroxy- +7.24475	1	1	1	1	1	1	1
2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone +2.384	1	1	7087	1	1	1	1
2-methyl-tridecanedioic acid	1	1	1	1	1	1	31283
2R-hydroperoxy-9Z,12Z,15Z-octadecatrienoic acid	1	1	1	1	1	1	16703
3,3'-Dimethoxybenzidine	1	1	1	1	1	1	1
3,3-Dimethyl-butanoic acid	1	1	1	1	16125	1	1
3,6-dioxo-decanoic acid +6.77	1	1	1	1	1	1	1
3?,6?,7?,12?-Tetrahydroxy-5?-cholan-24-oic Acid	1	1	1	1	1	1	5419
3?,7?,12?-Trihydroxy-5?-cholan-24-oic Acid	1	1	1	1	1	1	1
3-Acetamidopropanal +6.6522503	1	1	1	1	1	1	1
3alpha,7alpha,12alpha-Trihydroxy-5beta-23E-cholestan-26-oic acid	1	1	1	1	1	1	1
3-Dehydrocarnitine +6.7865	61984	1	1	1	1	1	1
3-Deoxy-3-azido-25-hydroxyvitamin D3	1	1	1	15330	1	1	1
3-Geranyl-4,2',4',6'-tetrahydroxy-5-prenyldihydrochalcone	1	1	1	1	5694	1	1
3-O-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid	1	1	1	1	1	1	1
3-Oxo-5beta-chola-7,11-dien-24-oic Acid +1.47975	1	1	1	1	1	1	1
400.7564@5.658	1	1	1	1	1	1	1
415.1913@1.2162501	1	1	13345	1	1	1	1
4-Amino-2-nitrotoluene +2.29125	1	1	1	91875	47836	1	1
4-Dimethylamino-L-phenylalanine +6.7560005	1	1	1	1	1	1	1
4-Isopropylbenzoic acid	1	1	1	1	1	1	1
4-Oxo-1-(3-pyridyl)-1-butanone	1	1	1	1	15863	1	42568
4-PIOL +7.76625	41612	1	1	1	1	1	1
4-tert-Octylphenol	1	1	1	1	1	1	40007
4Z-tetradecenoic acid +1.25875	6657	1	1	1	1	1	1
4Z-tetradecenoic acid +1.3352499	1	1	1	1	1	1	8373
5-(3,4-Dihydroxyphenyl)-5-phenylhydantoin	1	1	1	1	1	1	1
561.8378@6.676	1	1	1	1	1	1	1
5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclopentyl]-6-heptenoic acid	1	1	1	1	1	1	1
5-Hydroxydopamine +6.5967503	1	1	1	1	1	1	1
5Z,9Z-Tridecadienyl acetate +1.1930001	1	1	1	1	1	9050	1
6-(alpha-D-Glucosaminyl)-1D-myo-inositol	6896	1	1	20697	1	1	1
671.5474@1.0775	1	1	1	1	1	1	1
6-Hydroxyindolelactate +1.861	1	1	1	1	1	1	1
6-Sialyl-N-acetyllactosamine	1	1	1	1	7977	1	7903
7,8-Diaminononanoate	1	1	1	61120	1	1	243600
737.617@1.01775	23822	6437	1	1	1	1	1
7-Oxoheptanoic acid +6.91475	1	1	1	1	1	1	1
7-Tridecenoic acid; C13:1n-6 +1.0925	1	1	1	10231	1	1	1
839.6485@1.00825	1	8794	1	1	1	1	1
8Z-undecenoic acid	1	1	1	1	1	1	40364
9,10-epoxy-13-oxo-11-octadecenoic acid	35851	6536	1	1	1	1	1
9,10-epoxy-13-oxo-11-octadecenoic acid +1.129	1	1	1	1	1	1	13877
998.2808@1.00875	1	1	1	1	1	1	1
9-Chloro-11beta,17beta-dihydroxy-17-methylandrost-4-en-3-one	1	1	1	1	1	1	1
9-hydroxy-16-oxo-hexadecanoic acid	10632	1	1	1	1	1	1
9Z,12E,15Z-octadecatrienoic acid +1.33575	8836	1	1	1	1	1	1
Acetone cyanohydrin	1	1	19785	1	1	1	16627
Acetylagmatine	1	1	1	1	1	1	24922
Acetyleugenol	1	1	1	1	1	1	1
Aknadicine	1	1	1	1	1	1	1
Albomaculine	1	1	1	1	1	1	1
allopurinol +3.156	1	1	1	1	17470	1	1
all-trans-hexaprenyl diphosphate +5.21775	10243	1	1	1	1	1	1
alpha-[3-(Nitrosoamino)propyl]-3-pyridinemethanol	1	1	1	1	1	1	1
alpha-Amylcinnamaldehyde	1	14601	1	1	1	1	1
Anastrozole	1	1	1	1	1	1	1
Anthranilic acid +5.6640005	1	1	1	31530	1	1	1
Arecoline	1	1	1	1	1	1	1
Asn Arg His	1	1	1	1	1	1	1
Atorvastatin +1.8387501	1	1	1	1	5868	1	1
Bestatin +3.3625	1	1	1	1	1	1	1
Bis (2-hydroxypropyl) amine +5.68275	1	1	108293	1	1	1	133621
Brucine	1	1	1	1	1	1	1
butalbital	1	1	1	1	1	7560	1
butalbital +2.6065	1	1	1	1	1	1	1
C10 H17 N5 O3 +2.91275	1	1	1	1	23568	1	1
C10 H20 N4 +9.467751	1	1	1	1	1	1	1
C11 H18 O4	1	1	1	1	1	1	1
C11 H19 N O2	1	1	1	1	10083	1	1
C11 H19 N5 O2	1	1	1	1	31749	1	8102
C11 H20 N7 O3	1	1	1	1	17913	1	1
C11 H23 N8	1	1	1	1	1	1	1
C11 H23 N8 O2	1	1	1	1	1	1	1
C12 H14 N4	1	1	5676	1	1	1	1
C13 H16 Cl3 N6 O S2	1	1	1	1	1	1	1
C13 H16 N7 O	1	11795	6926	1	14634	1	1
C13 H19 N O5	1	1	1	1	1	1	1
C13 H22 N4	1	1	5109	6249	1	7678	1
C14 H24 N4 O4	1	1	14049	1	1	1	1
C14 H41 N11 S	1	21764	1	1	1	1	1
C15 H19 N14 O6	1	1	1	1	1	1	10721
C16 H18 N9 +2.53575	1	1	1	1	1	1	17852
C16 H31 N5 O2	1	1	1	1	1	1	1
C16 H39 N4 O2	1	1	5981	1	8755	1	1
C17 H18 N6 +3.61975	1	1	6625	1	1	1	12095
C17 H24 N2 O3 +6.2105002	1	1	1	1	1	1	1
C17 H36 N9 O	1	1	1	1	1	1	1
C17 H37 N +4.341	1	1	12688	9117	1	1	29304
C17 H44 N16 O7	1	1	1	1	1	1	1
C18 H21 N5 O2	1	1	1	1	1	1	1
C20 H37 N15 O	1	1	1	1	1	1	1
C22 H22 N3 O24	1	1	1	1	1	1	1
C22 H41 O4	1	1	7203	1	1	1	1
C22 H45 N8 O2	1	15544	1	1	1	1	1
C22 H47 N O12 +6.46375	1	38159	1	1	1	1	1
C22:5n-3,7,10,14,18	1	1	1	1	1	1	1
C23 H12 N11 O13	12902	1	1	1	1	1	1
C24 H2 N O23 +7.0942497	1	1	1	1	1	1	1
C24 H2 O28 S +5.6775	1	1	1	1	1	27822	1
C24 H44 O18	1	1	1	1	1	1	1
C24 H45 N15 O3	1	1	1	1	1	1	1
C24 H51 N O13	1	1	12166	1	1	1	1
C25 H53 N6 O11	1	1	1	1	1	1	1
C26 H23 N13 O2 S2	1	1	1	1	1	7958	6046
C26 H6 N O24 +7.312	1	1	1	1	1	1	1
C27 H51 N O S	1	12708	1	1	1	1	1
C27 H57 N11 O2	1	5967	1	1	1	5539	1
C28 H2 N4 O26 S3	1	1	1	1	1	1	1
C28 H24 Cl N8	1	1	1	1	1	1	1
C28 H34 N O6 S4	1	1	1	1	1	1	11944
C28 H48 N6 O21	1	1	1	1	1	1	1
C29 H51 N8 O4	1	1	1	1	1	1	1
C29 H57 N7 O11	1	1	1	1	1	1	14289
C32 H40 N11 O2	1	1	1	1	16365	1	1
C33 H29 N11 O2 S3	1	1	1	1	1	1	1
C35 H22 N13 O2 S	1	1	1	1	14897	1	1
C35 H39	1	1	1	1	1	1	1
C36 H50 N8 O3	1	1	1	1	1	1	1
C36 H71 N O6 S2	6586	19422	1	1	1	1	1
C38 H60 N4 O4	1	1	1	1	1	10490	1
C39 H50 N9 O3	1	1	1	1	1	1	18534
C39 H52 N27	1	1	1	1	1	1	1
C40 H16 Cl N10	1	1	1	1	1	1	1
C40 H38 N5 O3	1	1	1	1	1	1	1
C40 H51 N3 O3	1	1	1	1	1	1	1
C41 H38 N5 S	1	1	1	1	1	1	1
C41 H85 O22 S	1	1	1	1	1	1	1
C42 H54 N3	1	1	7776	7575	1	1	1
C44 H32 Cl N19 O	1	1	1	1	1	1	1
C48 H76 O10	1	1	1	1	5431	1	1
C48 H91 Cl2 N3	12687	7851	1	1	1	1	1
C5 H8	1	1	1	19304	1	1	1
C55 H57 N8 O2	1	1	1	1	1	1	1
C6 H3 N O3	1	1	1	1	1	1	1
C9 H15 N3 O3	1	1	1	1	1	1	1
Canthiumine	1	1	1	1	1	1	1
Cavinine	1	1	1	1	1	1	1
CAY10492 +6.5930004	1	1	1	1	1	1	1
CCT018159	1	1	1	1	1	1	1
Cefoselis	1	1	1	1	1	1	1
Cer(d18:0/h17:0)	1	1	5702	1	1	1	1
Chivosazole A +1.8365	1	1	1	1	1	1	1
Cimetidine	1	41656	1	1	1	1	1
Cimetidine sulfoxide	1	9211	1	1	1	1	1
Delcorine	1	1	1	1	1	1	1
Demethylcitalopram	1	1	53433	43518	1	1	1
Deoxycholic acid 3-glucuronide	1	1	1	60004	1	1	1
Desacetylvinblastine	1	1	1	1	1	1	1
desethyletomidate	1	1	21720	1	1	1	1
Desmethylnizatidine	1	1	23807	1	1	1	1
Desmethylpirenzepine	1	1	1	1	1	1	25762
Didesmethylpheniramine	1	1	10548	9032	1	1	1
Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate	1	1	1	1	1	1	1
Dihydroxycarteolol M2 +6.5735	1	1	1	1	1	1	1
Dimethachlor	1	71745	1	1	1	1	1
Dinoflagellate luciferin +2.2424998	1	1	1	1	37076	1	1
Dioscorine	14874	1	1	1	1	18989	1
Docosahexaenoyl Serotonin +1.1835	1	1	1	1	1	1	1
D-Ribose 1-diphosphate	1	1	1	1	1	1	1
Echitovenine +1.4015001	1	1	1	1	1	1	1
Eicosapentaenoic Acid ethyl ester	1	1	1	1	1	1	1
Elaeokanine C	1	14170	1	1	1	1	1
Erythrohydrobupropion +4.105	1	381085	1	1	1	1	1
Escitalopram	1	1	29910	22597	1	1	1
Ethyldimethylaminopropyl Carbodiimide	1	1	17660	1	1	1	1
Fampridine +7.45975	1	1348927	1	1	1	1	260382
Fenhexamid	1	1	1	1	1	1	11611
Flutolanil	1	1	1	1	1	1	19323
Furfural	1	1	1	1	1	1	1
Gliquidone	1	1	1	1	1	1	1
Glu Gln +7.7097497	1	1	9820	1	1	1	1
Glu Gln +7.8304996	1	1	1	1	1	1	1
Gly Thr Lys	1	1	1	1	1	1	1
Glycyl-L-leucine +6.57725	1	1	1	13947	1	1	19689
Glycyl-L-leucine +6.7	1	1	26745	1	1	1	1
Gramine +5.8650002	1	43382	1	1	1	1	15349
Graphinone +5.40575	1	1	1	1	16405	1	1
Hematoporphyrin	7428	1	1	1	1	1	10278
Histamine	1	1	85770	1	1	1	1
Homatropine +1.3785001	1	1	1	1	5743	1	1
Hydroxyphenoxyethylaminohydroxypropanol +7.7405	1	1	1	71943	132590	1	1
Hydroxythiopental	1	36410	1	1	1	1	1
Hydroxythiopental +4.89075	1	553610	1	1	1	1	1
Indicumenone +1.57525	1	31911	1	1	1	1	1
Isobutylmethylxanthine +1.3425	27129	1	1	14862	1	1	1
Isobutyrylglycine +6.278	1	1	1	1	1	1	86714
Isradipine Metabolite (2,1,3-Benzoxadiazole, 3,5-pyridinedicarboxylic acid deriv.)	1	1	1	1	1	1	13528
I-Urobilin +2.145	1	1	1	1	1	1	1
JWH 018 N-(5-hydroxypentyl) metabolite	1	11617	1	1	1	1	1
KDNalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)	1	1	1	1	1	1	6434
L-Adrenaline +6.1095	1	1	1	1	1	1	1
L-beta-aspartyl-L-alanine	1	30294	1	1	1	1	16569
Lentiginosine +6.9515	1	1	1	1	1	1	35374
Letrozole	1	1	1	1	1	1	1
Leu Ala +3.6157498	1	1	1	1	1	1	1
Leukotriene F4	1	66609	1	1	1	1	8144
L-Histidinal	1	1	25384	1	1	1	28208
Lucanthone	1	1	1	1	12833	1	1
Lys Met Lys	1	1	1	1	1	1	1
Lys Trp Ile	1	6350	1	1	1	1	1
Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside	1	1	1	1	1	1	1
Methyldopate	1	1	1	1	1	1	1
MID42471:1?,25-dihydroxy-25,25-diphenyl-26,27-dinorvitamin D3 / 1?,25-dihydroxy-25,25-diphenyl-26,27	1	1	1	1	1	1	1
Monalide	1	16125	1	1	1	1	1
N(alpha)-gamma-L-Glutamylhistamine +3.4955	1	1	1	1	1	1	1
N,N-Diethylphenylacetamide	1	1	1	1	1	1	1
N2-Acetyl-L-ornithine	1	29086	1	1	1	1	1
Neurodazine	1	1	1	1	1	1	7417
N-Hydroxy-L-phenylalanine +3.36275	1	1	1	1	1	1	1
N-Hydroxy-L-phenylalanine +7.05725	1	1	1	1	1	1	1
N-Hydroxypentobarbital +6.8005	1	1	7657	1	1	1	1
Nicotinamide riboside +1.7692499	1	1	1	1	1	1	1
N-Nitroso-N-methylurethane	1	1	1	35003	1	1	1
Nonoxynol-9	1	17621	1	1	1	6486	1
Octylamine +4.388	1	1	1	1	1	1	1
Orthoform +6.8174996	1	1	1	1	1	1	1
PE(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	7752	1	1	20047	1	1	1
PE(O-18:0/0:0)	1	1	1	1	1	1	8513
Penicilloate	1	1	1	1	1	1	1
PE-NMe(O-14:0/O-14:0)	1	6076	1	1	1	1	1
Phenylephrine 3-O-sulfate	1	1	1	1	1	1	1
Phosphoenol-4-deoxy-3-tetrulosonate	1	1	1	1	1	1	1
P-Hydroxydesmethylgliquidone	1	1	1	1	1	1	1
p-Hydroxynorpseudoephedrine	1	1	1	1	1	1	1
p-Hydroxynorpseudoephedrine +1.95375	1	1	1	1	1	1	1
PI(O-16:0/16:0)	1	1	1	1	1	1	1
Pinacidil-N-Oxide	1	1	1	1	1	1	1
Piperidine +6.3184996	1	105233	1	1	1	1	12872
Piperyline	9432	1	1	1	13860	1	1
Pro Lys Gln	17334	1	1	8787	1	1	1
Pro Pro Lys	1	1	1	1	1	1	1
PS(19:0/0:0) +6.55025	1	1	1	1	1	1	1
PS(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1	1	1	7113	1	1	1
Riboflavin (Vitamin B2)	1	1	1	1	1	1	1
Rishitin +1.6135	1	17222	1	1	1	1	1
Ser Asp Met	1	1	1	1	1	1	1
Sericetin Diacetate	1	1	1	1	1	1	1
Sobetirome	1	1	1	1	1	1	19664
Stovaine	1	1	8786	1	1	1	1
Stovaine +4.0792503	1	17227	1	1	1	1	1
Tenovin-6 +3.4905	90762	1	1	1	1	1	1
Teprenone	1	1	1	1	1	1	1
tetradeca-13-en-2,4-diyn-1-ol	1	1	8188	1	1	1	6936
Tetranor-PGF1alpha +1.21375	1	1	1	1	1	1	1
TG(16:1(9Z)/17:0/17:1(9Z))[iso6]	13363	6276	1	1	1	1	1
THA +1.05075	1	1	1	1	1	1	1
Thr Ala Thr +6.4452496	1	1	1	12799	1	1	1
Thymine	1	1	1	1	1	1	1
Totarol-19-Carboxylic Acid	1	1	1	1	8662	1	1
Traumatic Acid	1	1	1	1	1	1	1
Trichostatin A +2.29025	1	1	1	1	1	1	19927
Trichostatin A +6.292	1	1	1	1	1	1	21780
Tris(butoxyethyl)phosphate	13337	1	1	1	1	1	1
Troglitazone sulfate	1	1	1	1	16939	1	5104
Tropacocaine	1	1	1	1	1	1	1
Tropinone	1	1	1	1	1	1	1
Val Tyr	1	1	1	1	1	1	1
Valerianine	1	1	1	1	1	1	1
Villinol	1	1	1	1	1	1	1
VPGPR Enterostatin +7.7265	1	1	1	1	1	1	1
V-PYRRO/NO +4.3929996	1	1	46778	1	1	1	1
(11Z)-8,18-propano-retinal	1	1	1	1	1	1	1
(2R)-2-Hydroxy-2-methylbutanenitrile +1.6293334	1	1	1	1	1	1	1
(2R)-2-Hydroxy-2-methylbutanenitrile +6.4586663	1	1	1	1	1	1	1
(2R,4S)-2,4-Diaminopentanoate	1	58143	1	1	1	1	1
(9R,13R)-1a,1b-dihomo-jasmonic acid	1	1	1	1	1	1	1
(R*,S*)-4-[1-Ethyl-2-(4-fluorophenyl)butyl]phenol	1	18568	1	1	1	1	1
(S)-2-Ethyl-3-hydroxypropionic acid	1	1	1	1	1	1	1
(S)-3'-Hydroxycoclaurine	1	1	5059	1	7583	1	1
(S)-Piperazine-2-carboxamide	1	1	1	1	1	1	23580
?-Glutamyl-?-aminopropiononitrile	1	1	1	1	1	1	5892
?-PHENYL-gamma-Aminobutyric Acid +6.8700004	1	1	1	1	1	1	1
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide	1	7821	1	1	1	1	1
1,1-Diphenyl-2-(4-methoxyphenyl)propene +6.3176665	1	1	1	1	1	1	1
1,8-Diazacyclotetradecane-2,9-dione	1	1	1	1	1	1	18166
1,9-Dimethyluric acid	1	1	1	1	1	1	1
11,12-dihydroxy stearic acid	1	5192	1	1	1	1	1
11?-(chloromethyl)-1?,25-dihydroxyvitamin D3 / 11?-(chloromethyl)-1?,25-dihydroxycholecalciferol	5419	1	1	1	1	1	1
1123.7948@5.702	1	1	1	1	1	1	1
11-Methyl-9Z,12-tridecadienyl acetate +1.175	1	1	1	1	1	1	1
1205.3063@1.0093333	1	1	1	1	1	1	1
121.917@5.7693334	1	1	1	1	1	1	69417
1211.7618@5.6943336	1	1	6319	1	1	1	1
1220.3351@1.0076667	1	1	1	1	1	1	1
123.017@7.208	1	1	1	1	1	1	1
1294.356@1.011	1	1	1	1	1	1	1
13,14-dihydro-15-keto Prostaglandin J2 +1.1516666	1	9376	1	1	1	1	1
15-HETE-GABA	1	1	1	1	1	1	1
15-Oxo-5?-cholan-24-oic Acid	57675	1	1	1	1	1	1
15-Oxo-5?-cholan-24-oic Acid +1.256	1	1	1	1	6265	1	1
181.1309@1.4446665	1	1	1	1	1	1	1
18-hydroxy-9R,10S-epoxy-stearic acid +1.2876667	1	1	1	1	1	1	1
1-Aminocyclohexanecarboxylic acid +5.130333	1	1	44040	1	1	1	1
1beta,3beta,5alpha,6beta-tetrahydroxyandrostan-17-one	1	1	1	1	1	1	21275
1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol	1	1	1	1	1	1	1
1-Methylhypoxanthine +2.371	1	1	1	1	1	1	1
2-(N-morpholino)ethanesulfonic acid +6.4026666	1	1	1	15128	1	1	23179
2,3,5-Trimethacarb +6.6106663	1	1	1	1	1	1	1
2,3-Dinor-11b-PGF2?	27619	1	1	1	1	1	1
2,4-Diaminoanisole	1	1	15717	1	1	1	1
2,4-Diaminoanisole +3.5993335	1	1	32010	1	1	1	8497
24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol	1	24093	1	1	1	1	5408
2-amino-8-oxo-9,10-epoxy-decanoic acid +1.9973334	1	1	1	1	1	1	1
2'-Deoxymugineic acid +6.6060004	1	1	1	1	1	1	1
2E-hexenol +1.193	1	13320	1	1	1	1	1
2-Ethyltoluene	1	1	1	113856	1	1	1
2-Hexynoic acid, 6-hydroxy-	1	1	1	1	1	1	1
2-Hexynoic acid, 6-hydroxy- +7.3039994	1	1	1	1	1	1	1
2-Hydroxyethinylestradiol	1	1	28373	1	1	1	9724
2-Hydroxyfelbamate +6.2269998	1	1	17214	1	37250	1	1
2-Hydroxypyridine +4.9263334	1	1	1	1	1	1	1
2-Imino-4-methylpiperidine	1	1	1	1	1	1	40366
3,4,5-Trimethoxytoluene	1	1	1	1	9851	1	22794
3,6-dioxo-decanoic acid +6.36	1	1	1	1	1	1	1
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.6843333	1	1	1	1	1	1	1
3?,5?-Tetrahydronorethindrone glucuronide	1	1	1	1	1	1	1
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +1.4499999	1	1	1	1	1	1	1
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.5216666	1	1	1	1	1	1	1
321.2877@1.165	1	1	1	1	1	13379	1
384.7337@5.8093333	1	1	1	1	1	1	1
3-Dehydrocarnitine +6.873667	1	1	1	32605	1	1	1
3-Guanidinopropanoate +6.677	1	1	1	1	1	1	1
3-hexenal	1	1	1	1	1	1	1
3-hexenedial +2.3813334	1	1	16489	1	1	1	1
3-Hydroxybiphenyl	1	1	1	1	1	1	1
3-Methylorsellinic Acid +2.2306666	1	1	1	1	1	1	1
3-Phenylpropionaldoxim	1	1	1	1	1	1	1
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol	1	1	1	1	1	1	1
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol +1.8389999	1	1	1	1	1	1	1
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol +6.738333	1	1	1	1	1	1	1
422.7693@5.8033333	1	1	1	23608	1	1	1
426.2589@1.6586666	1	1	1	1	1	1	1
466.7957@6.133	1	1	1	1	1	1	1
4-Methoxytyramine +6.6496663	1	1	1	1	1	1	1
4-Methylaminobutyrate +1.7296667	1	1	1	20320	1	1	1
4-Nitrotoluene +6.6433334	154675	1	10266	1	1	1	1
4-Oxovalproic acid +6.5709996	1	1	1	1	1	1	1
5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone	1	1	1	1	1	1	1
502.1015@1.0300001	1	1	1	1	1	1	1
526.6538@7.921	1	1	1	1	1	1	1
578.4189@4.457667	1	1	1	1	1	1	1
595.1318@1.0263333	1	1	1	1	52566	1	1
596.1202@1.045	1	1	1	1	1	1	1
597.1772@1.0363333	1	1	1	1	1	1	1
5-Hydroxy-3,4-dihydrocarbostyryl	1	1	1	1	1	1	1
5-Hydroxydopamine +6.352667	1	1	1	1	1	1	1
5-Hydroxyindol-2-carboxylic acid	1	1	1	1	1	1	1
5-methyl-octadecanoic acid	1	1	1	1	1	1	1
5-Phenyl-1,3-oxazinane-2,4-dione	1	1	1	1	1	15580	1
6,7-Dichloro-3-Hydroxy-2-Quinoxalinecarboxylic Acid	1	1	1	1	1	1	1
6'?-Hydroxylovastatin	10909	1	1	1	1	1	1
664.7369@8.762	25585	1	1	1	1	1	1
669.5359@1.1403333	1	1	1	7682	1	1	1
683.5369@1.0243334	1	11717	1	1	1	1	1
6-hydroxy caproic acid	1	1	1	1	1	1	1
6-Hydroxyindolelactate	1	1	1	1	1	1	1
6-nonenal +1.1750001	1	1	1	1	9634	1	1
6Z-hexadecenoic acid	1	1	1	1	1	1	1
7,8-Dihydro-14-hydroxynormorphine	1	1	1	1	1	1	1
763.6327@1.0156666	28193	6779	1	1	1	1	1
766.6517@1.0203333	1	25718	1	1	1	1	1
7-octenoic acid	1	1	1	1	1	5229	1
832.2333@1.0193334	1	35021	1	1	1	1	37991
850.245@1.0153333	1	1	20876	1	1	1	1
893.2532@1.0136667	1	1	1	1	1	1	1
8-tridecynoic acid +6.5343337	1	1	1	1	1	1	1
9,11alpha-epoxy-6alpha-acetoxy-cholest-7-en-3beta,5alpha,19-triol	1	1	1	1	5806	1	1
912.8264@5.688	1	1	1	1	1	1	1
921.7644@1.051	1	6314	1	1	1	1	1
9-O-Demethyl-2alpha-hydroxyhomolycorine	1	1	1	1	1	1	1
9Z,12E,15Z-octadecatrienoic acid +1.1836667	1	1	1	7510	1	1	1
a-[1-(diethylamino)ethyl]-p-hydroxy-Benzyl alcohol	1	1	1	1	1	1	1
Ac-Tyr-OEt	1	1	1	1	1	1	1
Ac-Tyr-OEt +6.5769997	1	1	1	1	1	1	1
Ac-Tyr-OEt +6.7226663	139100	1	1	1	1	1	1
Aeroplysinin 1	1	5807	1	1	1	1	1
Agecorynin D	1	1	1	1	1	1	24139
Amino acid(Arg-) +8.681333	1	1	1	1	1	1	1
aminohippuric acid	1	1	1	1	1	1	1
Ammodendrine +6.370333	1	1	1	1	1	1	1
Anapheline	1	1	1	1	1	11699	1
Arborinine +1.8623333	1	1	1	1	1	1	12147
Atropaldehyde	1	1	1	1	1	1	1
Avermectin A1a monosaccharide	1	1	1	1	1	1	1
Avermectin A1a monosaccharide +7.483	1	1	1	1	1	1	1
Azafenidin +1.0753332	1	1	1	1	1	1	1
B-(4-Fluorobenzoyl)propionic acid	9513	1	1	1	1	1	1
bacteriohopane-32,33, 34-triol-35-carbamate	1	5210	1	1	1	1	1
BAY-60-7550 +1.4426666	1	1	1	1	1	1	1
b-D-Galactopyranose	1	1	1	1	1	1	1
Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide	1	7210	1	1	1	1	1
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate	1	17954	1	1	1	1	1
Benzyloxyphenylisoserine Methylester +1.3226666	1	1	1	1	17951	1	6050
Berbamunine	1	1	1	1	1	1	1
Bestatin +2.7370002	1	1	1	1	1	1	1
Bethanechol	1	65751	1	1	1	1	1
Bisacodyl diphenol +1.2273333	1	1	1	1	1	1	1
Butralin	1	1	1	1	1	1	15933
C10 H13 N8	1	1	1	1	1	1	1
C10 H23 Cl N O4	1	1	1	1	1	1	1
C10 H23 Cl N2	1	1	1	1	1	1	1
C11 H2 Cl3 N4 O2 S5	8455	1	1	1	1	1	1
C11 H22 N2 O2	1	30064	1	1	1	1	1
C11 H22 N4 +9.146667	1	1	1	1	1	1	1
C11 H22 O S	1	1	1	1	1	1	1
C12 H16 N6	1	15678	1	1	1	1	1
C12 H23 N O S	1	1	1	1	41642	1	1
C12 H27 N3 O	1	1	1	1	1	1	1
C13 H30 N3 O3	1	13563	1	1	1	6861	1
C14 H28 Cl N3 +1.1156666	1	1	1	1	1	1	1
C14 H30 O S2	1	1	1	1	1	1	1
C15 H33 N18 O2	1	1	1	1	1	1	1
C15 H37 N4 O2	1	1	1	1	1	1	1
C15 H6 N5 O16 +7.550667	1	1	1	1	1	1	1
C16 H39 N11 O7 +7.501333	1	1	1	1	1	1	1
C16:4n-4,8,10,14	1	1	1	1	1	1	1
C17 H21 Cl N4	1	1	1	1	1	1	1
C17 H21 Cl N4 +1.4906667	1	1	1	1	32255	1	1
C17 H31 N15	1	1	1	1	1	1	1
C17 Sphinganine +4.14	1	1	1	1	1	1	1
C18 H22 N7	1	1	1	1	1	1	1
C18 H26 N	1	8262	1	1	1	1	1
C18 H39 N11	1	1	1	1	1	1	1
C18 H41 Cl N3 O2 S	1	1	1	1	1	1	1
C18 H49 N11 O9 S	1	1	1	1	1	29751	1
C18 N O19 S +5.705667	1	1	1	1	1	44831	1
C19 H22 N S	1	1	1	1	1	1	1
C19 H33 N5	1	1	1	1	1	1	1
C19 H37 N5 O	1	1	1	1	1	1	1
C19 H48 N16 O8 +7.1653333	1	1	1	1	1	1	1
C20 H35 N19 O6	1	1	1	1	1	1	1
C20 H39 N18 O	1	1	1	1	1	1	1
C20 H41 N8 O	1	19194	1	1	1	1	1
C20 H42 N13 O S	11817	1	1	1	1	1	1
C20 H48 N9 S4	6227	1	1	1	1	1	1
C21 H43 N8 O2	1	16384	1	1	1	1	1
C21 N O21 S +5.6713333	1	1	1	1	1	1	1
C22 H25 Cl N4 O19 S	1	1	1	1	1	26443	1
C22 H37 N7 O	1	1	1	1	5834	1	1
C22 H42 O12	131579	1	1	1	1	1	1
C22 H42 O12 +3.8806667	257930	1	1	1	1	1	1
C24 H49 N8 O3	1	8315	1	1	1	1	1
C25 H47 N O4	1	1	1	1	7373	1	1
C25 H48 Cl2 O3	1	1	1	1	1	1	5894
C27 H42 N10 O	1	1	1	1	1	1	1
C27 H44 N10 O2	1	1	1	1	1	1	1
C28 H36 N27 O7	1	1	1	1	1	1	1
C29 H51 N5 O2	1	10974	1	1	1	1	1
C29 H6 N5 O21	1	1	1	1	1	1	1
C29 H8 N6 O10	1	1	1	51794	1	1	1
C30 H59 N O3 S2	1	27084	1	1	1	1	1
C31 H36 N14 O2	1	1	1	1	1	1	1
C32 H16 N11 O8	1	1	1	1	1	1	1
C32 H65 N24 O2	1	1	1	1	1	1	1
C32 H67 N O17 +7.7606664	31131	1	1	1	1	1	1
C33 H17 N11 O3	1	1	1	1	1	1	1
C33 N2 O29 S	1	9061	1	1	1	1	10343
C34 H42 N11 O3	1	1	1	1	1	1	1
C34 H57 N2 O3	1	1	1	5534	1	1	1
C35 H29 N24 O9	1	1	1	1	1	1	1
C36 H18 N3 O3	1	1	1	1	1	1	1
C36 H27 S2	1	1	1	1	1	1	1
C37 H31 N15 S3	1	1	1	1	1	1	1
C37 H33 N7 S3	1	1	1	1	1	1	1
C37 H41 N3 O2 +5.011	5948	1	1	1	1	1	1
C38 H45 O2	1	1	1	1	1	1	1
C38 H75 N O4	1	1	1	1	1	1	1
C38 H75 N4 O3	1	1	1	1	1	1	1
C39 H14 N3 O28	1	1	1	1	1	1	1
C39 H47 N O7	1	28536	1	1	1	1	1
C39 H63 Cl S4	1	1	1	1	1	1	1
C40 H54 N O3 S	1	1	1	1	1	1	1
C40 H55	1	1	1	1	1	1	6098
C43 H80 N9	1	1	1	1	1	1	1
C43 H83 N2 O4 S	1	1	1	1	1	1	1
C45 H38 N2 O2	1	1	1	1	1	1	1
C45 H57 O6	1	1	1	1	1	1	1
C53 H113 N4 O3 S3	6164	1	1	1	1	1	1
C6 H11 N	1	1	1	1	20895	1	1
C7 H5 O S2	1	1	1	1	1	1	1
C8 H20 N11	1	1	1	1	1	1	1
C9 H14 N4 O2	6537	1	1	1	1	1	1
C9 H21 N	1	1	1	1	1	1	9776
C9 H21 N O7 +2.2936668	1	1	32796	1	1	1	1
Carboxynorspermidine	1	1	1	1	1	1	1
Cardiogenol C +1.1026667	1	1	1	1	1	10807	1
Cer(t18:0/16:0)	1	1	1	1	1	1	1
cholest-5,24-dien-3beta-ol 3-O-beta-D-glucopyranoside	1	7165	1	1	1	1	1
cholesteryl beta-D-glucoside	1	1	1	1	1	1	1
ciclopirox +6.3636665	1	1	1	1	1	1	1
cis-1,2-Diphenylcyclobutane	1	1	1	9833	1	1	1
cis-5-Tetradecenoylcarnitine	1	1	1	1	1	1	1
cis-Zeatin +2.6260002	1	1	1	1	1	1	1
Confertifolin	1	27109	1	1	1	1	1
Conhydrine +9.161666	1	1	1	1	1	180050	1
Cordycepin	1	1	1	1	1	1	1
Crinasiadine	1	8515	7994	1	1	1	1
Cys Asn Arg	1	1	1	1	39542	1	1
Dehydrojuvabione +1.2893333	18183	1	1	1	1	1	1
Desmethyldihydrocapsaicin	1	1	1	1	1	1	1
Desoxypeganine	1	1	1	1	1	1	1
DG(14:0/24:1(15Z)/0:0)	1	1	1	1	1	1	1
DG(17:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]	1	5374	11447	1	1	1	1
DG(17:1(9Z)/19:0/0:0)[iso2]	1	1	1	1	1	1	1
DG(18:4(6Z,9Z,12Z,15Z)/15:0/0:0)	1	1	1	13203	1	1	1
Dicyclohexylamine	1	1	1	1	1	1	1
Di-demethylcitalopram	1	1	7763	7831	1	1	1
Diethylene glycol +1.1946666	1	15656	1	1	1	1	1
Difenoxuron	1	1	1	1	1	1	9030
Dihydroxycarteolol M2 +6.346333	1	1	1	1	1	1	1
Diisopropyl sulfate	1	1	1	1	1	1	1
Dimethylaminoethyl reserpilinate +6.198667	1	1	1	1	1	1	1
Dinocton 6	1	1	1	1	1	1	13993
Di-n-propylphthalate	1	1	1	1	1	1	1
Dioxacarb	1	6844	1	1	1	1	1
dodecanamide +3.885	1	1	1	1	1	1	1
Dolichotheline	1	86033	1	1	1	1	1
E-64c	1	1	1	1	1	1	1
Elastin +6.5476665	1	1	1	10849	1	1	1
Enalaprilat	1	1	1	1	1	1	1
Enicoflavine	1	13674	1	1	1	1	1
ent-PGD2	1	1	1	1	1	1	1
epothilone D	1	1	1	1	1	1	1
Erythrohydrobupropion	1	79041	1	1	1	1	1
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate +1.1263334	1	1	1	1	1	36434	1
Ethambutol	1	1	1	1	1	1	1
Ethosuximide	1	1	14165	1	1	1	1
Ethyl 3-(N-butylacetamido)propionate +1.1513333	1	1	1	1	1	1	1
Formyldienolone	1	1	1	1	1	1	8064
Funtumine	1	1	1	1	1	1	5446
Furathiocarb	1	1	1	1	1	1	8041
Gabaculine +6.105	1	1	1	1	1	1	1
Gabaculine +6.4	1	1	1	1	1	1	19466
Gemfibrozil, metabolite II	1	1	1	1	1	1	1
Gentamicin C1a +2.6593335	9440	6613	1	1	1	1	1
Gly Leu Leu	1	5903	1	1	1	1	1
Glycyl-L-leucine +7.643	1	1	1	1	1	1	1
Gossypetin 8-glucuronide +2.8433332	1	1	1	1	1	1	1
Gramine	1	1	1	1	1	1	14489
HC Blue No.1	1	1	1	1	1	1	1
His Lys	1	11423	1	1	1	1	1
His Lys +2.39	1	1	6316	1	1	1	1
Hodgkinsine	1	1	1	1	1	1	1
Homoanserine	9599	1	1	1	1	1	1
Hydroxyphenoxyethylaminohydroxypropanol +7.949333	1	1	1	119503	1	1	1
Hygromycin B	1	1	1	1	1	1	1
Ile Phe	1	1	1	1	1	1	1
Ile Val Asp	1	1	1	1	1	1	1
iso-Debromo-laurinterol	1	1	1	1	1	1	1
Isofebrifugine	1	1	1	1	62007	1	22806
Isorhamnetin 3-glucosyl-(1-6)-galactoside-7-glucoside	1	1	1	1	1	1	1
L-4-Hydroxy-3-methoxy-a-methylphenylalanine +6.270333	1	1	1	1	1	1	1
Lanceotoxin A +1.8446666	1	1	1	1	7526	1	1
Laudanosine	1	17262	1	1	1	1	1
Leu Ala +7.388334	1	1	28345	1	1	1	1
Levobunolol	1	1	1	1	1	1	1
L-Homotyrosine	1	1	1	1	1	1	27593
L-Homotyrosine +6.7163334	1	1	1	1	1	1	1
lithocholic acid sulfate +6.2339997	1	1	1	1	1	1	1
Lophophorine	1	1	1	1	1	1	1
Lycorine	1	1	1	1	1	1	1
Madecassic Acid	1	1	1	1	1	1	1
Makisterone A	20828	1	1	1	9121	1	1
m-Aminophenol +4.968	1	1	10905	1	1	1	1
MeIQx	1	1	1	1	1	1	26770
Mesobilirubinogen +1.4266667	1	1	1	1	29329	1	1
Metalaxyl	1	1	1	1	1	1	1
Metanephrine	1	1	1	1	1	1	13404
Methicillin	1	1	1	1	1	1	1
Methylone	1	1	1	1	1	28355	1
Muscimol +3.425	1	1	1	17027	1	1	1
Myristic Acid Alkyne	1	1	1	1	13890	1	1
N-(3S-hydroxydecanoyl)-L-serine +9.627333	1	1	1	1	1	1	1
N(alpha)-gamma-L-Glutamylhistamine +3.2143333	1	1	1	1	1	1	1
N-Acetyl-D-phenylalanine	1	1	1	1	1	1	1
N-Acetyl-D-quinovosamine	1	20001	1	5513	1	1	1
N-Acetyl-L-glutamic acid	1	1	1	1	1	1	1
N-alpha-Acetyl-L-2,4-diaminobutyrate +2.5866666	1	1	1	1	1	1	1
N-Hydroxy-1-aminonaphthalene	1	1	1	1	30880	1	1
N-Hydroxy-L-phenylalanine +6.2246666	1	1	1	1	1	1	1
N-Hydroxynorcocaine	1	1	1	1	1	1	14951
N-oleoyl ethanolamine	1	1	1	1	1	1	1
N-tridecanoyl-L-Homserine lactone	1	1	1	1	1	1	1
Octanoic acid, 3-amino-, (1)- +10.230333	1	1	1	1	1	16717	1
O-hexanoyl-R-carnitine	1	1	1	1	1	1	1
O-hexanoyl-R-carnitine +1.1413333	1	1	1	1	1	1	1
oleanolic acid 3-O-beta-D-glucosiduronic acid	1	1	1	1	1	1	1
Oleoyl Ethyl Amide +1.1503334	1	7422	1	1	1	1	1
Olprinone	1	1	1	1	1	1	1
Orsellinic acid	1	1	1	1	1	1	1
PA(13:0/18:3(6Z,9Z,12Z)) +7.2623334	1	1	1	1	1	1	1
PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	1	1	1	5205	1	1	1
Palmitic amide +3.7223332	1	1	1	1	1	1	1
Palmitoyl N-Isopropylamide	1	1	1	6754	1	1	1
PE(18:4(6Z,9Z,12Z,15Z)/19:1(9Z))	1	6482	6244	1	1	1	1
PE(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	1	1	1	1	1	1	1
PE(9:0/9:0)[U] +6.3563333	1	1	1	1	1	1	28609
Phenylbutyrylglutamine +5.4903336	1	1	1	1	30835	1	1
Philanthotoxin	1	1	1	1	1	1	1
Phosphohydroxypyruvic acid	1	1	1	1	1	32365	1
Pirbuterol +8.443	1	1	1	1	1	1	1
p-Lactophenetide +6.542	1	1	1	1	1	1	1
Pro Ala Gln	1	1	1	1	1	1	1
Pro Glu	1	1	1	1	1	1	1
Propranolol glucuronide	1	1	1	1	1	1	1
Pyrimidodiazepine +3.382	1	1	1	1	1	1	1
Remikiren +4.8683333	5950	1	1	1	1	1	1
Rosaniline +1.3466667	1	1	1	1	1	1	1
S-Allyl-L-cysteine	1	1	1	16659	1	1	1
Secnidazole +6.5833335	1	1	42373	1	1	1	1
Sericetin Diacetate +1.185	1	1	1	1	1	1	1
Tacrolimus +7.75	1	1	1	1	1	1	1
Talatizamine	1	1	1	1	1	1	1
Tegaserod	1	1	1	1	1	1	1
TG(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z))[iso6] +5.7100005	1	1	1	1	1	17303	1
THTA	1	1	1	1	1	1	1
Trandolapril lactam (RU 46178)	1	1	1	1	1	1	1
Triamcinolone hexacetonide	1	19051	1	1	1	1	1
Tris(2-methyl-1-aziridinyl)phosphine oxide +1.585	1	1	1	12616	5184	1	1
Tropine +5.867334	1	80550	23274	1	1	1	1
Tropinone +1.403	1	1	1	1	1	18629	1
Trp Lys Arg	1	1	1	1	1	1	1
Tubulosine	1	1	1	1	1	1	1
Tumonoic Acid H	1	1	1	1	1	1	1
Tyr Leu +6.7903333	1	1	1	1	1	1	1
Val Leu +6.9236665	1	1	10318	1	1	1	1
Val Lys +9.469001	1	1	1	1	1	1	1
Val Val +3.1266668	1	1	1	1	1	1	1
Veatchine	1	1	1	1	1	1	6596
Victorin C +1.0163333	1	1	1	1	1	1	1
Y-27632	1	1	1	1	1	1	1
YM-53601	1	1	9339	1	5173	1	1
Z-Arg-Arg-NHMec +3.6420002	19126	1	1	1	1	1	6134
(-)-AS 115	11239	1	1	1	1	1	1
(-)-Kanshone A +1.2325	1	1	1	1	1	1	1
(-)-Spruceanol	1	1	1	1	1	1	1
(+)-Tephropurpurin	1	1	1	1	1	1	1
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol	8551	1	1	1	1	1	1
(±)15-HEDE	1	1	1	1	1	1	1
(±)-Ibuprofen	1	1	1	1	1	1	1
(10S)-Juvenile hormone III acid diol	1	1	1	1	1	1	1
(11Z)-8,18-methano-retinal	1	1	1	1	1	1	1
(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester +3.01	1	1	1	1	1	1	1
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid +1.1285	1	1	1	1	1	1	1
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +1.99	1	1	1	1	1	1	1
(23S,25R)-23,25,26-trihydroxyvitamin D3 / (23S,25R)-23,25,26-trihydroxycholecalciferol	1	7276	1	1	1	1	1
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-27-oyl taurine +3.6455	1	1	1	1	1	1	1
(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol +1.3365	1	9110	1	1	1	1	1
(3Z)-Phytochromobilin	1	1	1	1	1	1	10871
(4E,8E,10E-d18:3)sphingosine +5.1455	1	1	1	1	1	1	1
(4E,8E,9Me-d19:2)sphingosine	1	1	1	1	1	1	1
(E)-2-Butenyl-4-methyl-threonine +6.328	1	1	1	1	1	1	1
(S)-ATPA +7.0475	1	1	1	1	1	1	1
(S)-b-amino-isobutyric acid +1.871	1	1	168989	1	1	1	1
(S)-beta-Methylindolepyruvate	1	1	1	1	1	1	1
?-Alanyl-L-arginine +7.9485	1	1	1	11025	1	1	1
?-Hexalactone +1.392	1	1	1	1	1	1	1
?-Mangostin	1	1	1	1	1	1	1
1(3)-glyceryl-PGH2	1	1	1	1	1	1	1
1-(3-Aminopropyl)-4-aminobutanal +6.0804996	1	1	1	1	129348	1	1
1,2-Epoxypropane +1.1515	1	1	1	1	1	1	1
10,11-Dihydro-10,11-dihydroxyprotriptyline	1	15457	1	1	1	1	1
1026.5558@1.0764999	1	6290	1	1	1	1	1
1035.5602@1.166	1	7609	1	1	1	1	1
1041.7926@5.7085	1	1	1	1	1	1	1
1048.8019@5.6940002	1	1	1	1	1	1	1
1058.2583@1.01	1	1	1	1	1	1	1
1063.0277@13.421	1	1	1	1	1	1	6766
1076.2946@1.0074999	1	1	1	1	1	1	1
109.0011@7.402	1	1	1	1	1	1	1
10-Carboxy-13-deoxycarminomycin	1	1	1	1	1	1	1
10-Desacetyltaxuyunnanin C	1	1	1	1	1	1	1
10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid +1.286	15058	1	1	1	1	1	1
10-Hydroxymorroniside +6.0585003	1	1	1	1	1	1	1
1116.7866@5.689	1	1	1	1	1	1	1
1153.5898@1.024	1	16934	1	1	1	1	1
1191.7826@5.69	1	1	1	1	1	1	1
11-beta-hydroxyandrosterone-3-glucuronide	1	1	1	1	11896	1	1
11H-Benz[bc]aceanthrylene	1	1	1	1	1	1	1
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +1.3325	14008	1	1	1	1	1	1
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +1.3794999	18786	1	1	1	1	1	1
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +1.6285	8776	1	1	1	1	1	1
11-Methyl-9Z,12-tridecadienyl acetate +1.222	1	1	1	1	1	1	1
11Z-Eicosenal +6.7185	1	1	1	1	1	1	1
12,15-epoxy-13,14-dimethyleicosa-12,14-dienoic acid	1	1	1	11534	1	1	1
1203.3054@1.063	1	1	1	1	1	1	1
1209.6162@1.021	1	6944	1	1	1	1	1
1221.8387@0.999	1	1	1	1	1	1	1
1275.3438@1.225	1	1	1	1	1	1	1
1279.7466@5.6975	1	1	6416	1	1	1	5775
1286.755@5.696	1	1	1	1	1	1	1
1289.622@1.0355	1	1	1	1	1	10618	1
12-Hydroxybenzo[a]pyrene	1	1	1	1	1	1	17392
12-Methoxy-4,4-Bisnor-5?-8,11,13-Podocarpatrien-3-Ol	1	1	1	1	1	13410	1
12R-acetoxy-7Z-punaglandin 3	1	1	1	1	1	1	1
13,17-octadecadiynoic acid	7652	1	1	1	1	1	1
1323.6729@0.97749996	1	10877	1	1	1	1	1
1324.176@0.97650003	1	8623	1	1	1	1	1
134.1607@5.672	1	1	1	1	1	1	1
1350.3625@1.3305	1	1	1	1	1	1	1
1354.7443@5.69	1	1	1	1	1	1	1
1368.3729@1.0209999	1	1	1	1	1	1	1
13-Deoxytedanolide	1	1	1	1	1	1	1
13H-Dibenzo[a,g]fluorene	1	1	1	1	1	1	116164
13-tetradecen-2,4-diyn-1-ol	1	1	1	1	1	1	1
141.9311@7.8710003	1	1	1	5404	1	1	1
142.1105@5.0985003	1	1	1	1	1	33998	1
1441.3909@1.0374999	1	1	1	1	1	1	1
1493.7573@1.01	1	26429	1	1	1	1	1
15(S)-Latanoprost	1	1	1	1	1	1	1
15-octadecene-9,11,13-triynoic acid	1	1	1	1	1	1	13096
15-octadecene-9,11,13-triynoic acid +1.3425	1	1	1	1	14778	1	1
1653.6783@5.6965	1	1	1	1	1	1	1
16-Feruloyloxypalmitate	1	1	1	1	1	1	1
16-Feruloyloxypalmitate +1.3405	1	1	1	1	1	1	1
16-fluoro-hexadecanoic acid	1	1	1	1	1	1	1
17beta-Hydroxy-2-oxa-5alpha-androstan-3-one	21499	1	1	1	1	1	1
17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate	1	34617	1	1	1	1	1
17beta-Methylestra-1,3,5(10)-trien-3-ol +4.5179996	1	1	8279	1	1	1	1
17-hydroxyandrostane-3-glucuronide +2.4515	1	1	1	1	21937	1	1
17-phenyl trinor PGF2? cyclohexyl amide	1	1	1	1	1	1	1
189.1354@4.7945004	1	1	1	1	1	1	1
199.989@6.9495	1	1	1	1	1	1	1
19-Oxo-9-cis-retinoic acid	1	7131	1	1	1	1	1
1a,1b-dihomo-PGE1 +1.338	1	1	1	1	1	1	1
1-amino-3,3-diethoxypropane	1	1	1	1	1	1	1
1-Aminocyclohexanecarboxylic acid +8.2985	1	1	1	20690	1	1	1
1-Fluorocyclohexadiene-cis,cis-1,2-diol	1	1	1	1	1	8008	1
1-Hexadecylamine +3.8715	1	1	1	1	1	1	1
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide	1	1	1	1	1	1	1
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide +4.196	1	1	1	1	1	1	1
1-NBD-decanoyl-2-decanoyl-sn-Glycerol	1	1	1	1	1	1	1
1-NBD-decanoyl-2-decanoyl-sn-Glycerol +3.251	1	1	1	1	1	1	1
1-Nitro-5,6-dihydroxy-dihydronaphthalene +1.8775	1	1	1	1	1	1	1
1-Octadecanamine +3.8815	1	1	1	1	1	1	1
2-(5'-Methylthio)pentylmalic acid	1	1	1	1	1	1	6475
2-(beta-D-Glucosyl)-sn-glycerol	1	1	1	1	1	1	1
2-(N-morpholino)ethanesulfonic acid +2.368	1	1	1	1	1	1	1
2,3,3-Triphenylacrylonitrile	1	1	1	1	1	1	1.23E+07
2,3,3-Triphenylacrylonitrile +8.0605	1	1	1	1	1	1	1122065
2,3-Dihydroxynaphthalene	1	1	1	1	1	1	1
2,3-dinor Thromboxane B1 +1.2349999	18034	1	1	1	1	1	1
2,3-dinor Thromboxane B1 +1.2355	1	1	1	1	1	1	1
2,3-dinor Thromboxane B1 +1.391	213597	1	1	1	1	1	1
2,3-Dinor-6-keto-prostaglandin F1 a	10702	1	1	1	1	1	1
2,3-Diphenyl-1-indanone	1	1	1	1	1	1	108289
2,4-Dichlorophenoxybutyric Acid, Methyl Ester	1	1	1	1	1	1	1
213.1232@6.6795	1	1	1	1	1	1	1
234.1844@8.5475	1	1	1	1	1	1	1
26-Hydroxybrassinolide +1.479	1	1	1	1	1	1	1
2-amino-14,16-dimethyloctadecan-3-ol +1.1455	1	1	1	1	1	1	1
2-Amino-2-methyl-1-propanol +5.7185	1	1	1	1	1	1	1
2-Amino-3-methyl-9H-pyrido[2,3-b]indole	1	1	1	1	1	1	1
2-amino-4'-hydroxy-Propiophenone +2.058	1	1	1	1	1	1	25260
2-glyceryl-PGF2?	10615	1	1	1	1	1	1
2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-methoxy-	1	44991	1	1	1	1	1
2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-methoxy- +6.837	1	1	1	1	1	1	1
2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-methoxy- +7.1365004	1	1	1	1	1	1	1
2-Hexylglycerol	1	48007	1	1	1	1	1
2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone +1.5135	1	1	1	1	1	1	1
2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone +2.1165	1	8365	1	1	1	1	1
2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone +2.598	1	1	9634	1	1	1	1
2-hydroxy-heptadecanoic acid	1	1	1	1	1	1	1
2-Methoxyestradiol-17? 3-sulfate	1	1	1	1	1	1	1
2-methylbutanal oxime +8.576	1	1	1	1	1	1	1
2-Naphthylalanine	1	1	1	1	1	1	1
2-O-Acetylpseudolycorine	1	1	1	1	1	1	1
2-oxo-dodecanoic acid +1.188	1	1	9251	1	1	1	1
2-oxo-tetradecanoic acid +1.1325	1	1	1	1	1	1	10954
2-Piperidinecarboxamide, N-(3-hydroxy-2,6-dimethylphenyl)-, (S)-	1	1	1	1	1	1	1
2-propyl-tridecanoic acid	1	1	1	1	1	1	1
2-Pyridyl hydroxymethane sulfonic acid +1.5120001	1	1	1	1	1	1	8491
2-Pyridylethanol	1	1	1	1	1	1	21533
2R-aminoheptanoic acid +1.8225	1	24097	1	1	1	1	1
2R-hydroxy-pentadecanoic acid	1	5363	1	1	1	1	1
2-undecenal	1	1	1	1	1	1	1
3-(1-Carboxyvinyloxy)anthranilate	1	6821	1	1	1	1	1
3-(1-Carboxyvinyloxy)anthranilate +2.365	1	1	1	1	1	1	1
3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol +1.0705	1	1	1	1	1	1	1
3,5,7,2',4',5'-Hexamethoxyflavone	1	7886	1	1	1	1	1
3,5-dichlorosalicylic acid +7.2250004	1	1	1	1	17543	1	1
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.231	1	1	1	1	1	1	1
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.8395	1	1	1	1	1	1	1
3?,7?,12?-Trihydroxy-6-oxo-5?-cholan-24-oic Acid	1	1	1	1	1	1	1
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.467	1	1	1	1	1	1	1
303.205@1.2355	1	1	1	1	1	1	1
303.2925@4.143	1	1	1	1	1	1	1
305.2841@3.8495	1	1	1	5207	1	1	1
353.22@1.1129999	1	1	1	1	1	1	7471
374.756@7.618	1	1	1	1	1	1	1
378.7435@5.5284996	1	1	1	1	1	1	1
393.749@5.815	1	1	1	1	1	1	1
3-alpha,20-alpha-dihydroxy-5-beta-pregnane 3-glucuronide	1	1	1	1	8019	1	1
3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-cholan-24-oic Acid	1	1	1	1	1	1	1
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide	1	1	1	1	78886	1	1
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide +2.054	1	1	1	1	14321	1	1
3-Amino-L-Tyrosine	1	1	1	23981	1	1	1
3-Aza-A-homocholest-4a-en-4-one	1	1	1	1	7623	1	1
3-Deoxyestradiol	1	1	15662	1	1	1	1
3-Deoxyvitamin D3	1	1	1	1	1	1	1
3-Guanidinopropanoate	1	1	1	1	1	1	40219
3-heptenal	1	1	1	1	1	1	1
3-hexenedial +2.2870002	1	1	1	1	1	1	1
3-Hydroxy-5-methylhex-4-enoyl-CoA	1	1	1	1	1	1	1
3-hydroxy-tetradecanedioic acid	1	1	1	1	1	1	1
3-hydroxy-tridecanoic acid	1	1	1	1	1	1	1
3-Indoleacetic Acid	1	1	1	1	1	1	1
3-Indolebutyric acid	1	1	1	1	1	1	1
3-Methylorsellinic Acid +4.6575	1	1	1	1	1	1	1
3-O-Methylrimiterol	1	1	7595	1	1	1	1
3-Oxo-5beta-chola-7,11-dien-24-oic Acid	1	1	1	1	1	1	1
3-oxo-nonanoic acid +6.1675	1	1	1	1	1	1	1
3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime	1	1	1	1	1	1	1
3-oxo-tridecanoic acid	1	1	1	1	25025	1	1
3-tert-Butyl-5-methylcatechol	1	1	1	1	1	1	1
3-Vinylbacteriochlorophyllide d	1	1	1	1	1	1	1
4-(1-Ethyl-2-phenylbutyl)phenol	1	1	15121	1	1	1	1
4-(2-hydroxy-3-isopropyl-aminopropyl)benzoic scid	1	1	1	1	1	1	1
4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone +7.8585	1	13084	1	1	1	1	1
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol +7.8310003	1	1	12071	1	1	1	1
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol +8.451	1	1	24657	1	1	1	1
4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone	1	1	13101	1	1	1	1
4,4'-Diaminostilbene	1	1	20421	1	1	1	1
4,4'-Diaminostilbene +6.469	1	1	19330	1	1	1	1
417.7382@5.935	1	1	1	1	1	1	1
421.3041@1.658	1	7610	1	1	1	1	1
439.3617@1.0705	1	1	1	8250	1	1	1
443.3639@1.097	1	1	1	7585	1	1	1
444.7825@5.965	1	1	1	23151	1	1	1
451.5111@3.556	1	1	1	1	1	1	1
453.3244@1.3334999	1	1	1	1	1	1	1
467.3727@1.4300001	1	1	1	1	1	1	1
480.3224@1.334	1	1	1	1	1	1	1
494.7992@6.432	1	1	1	1	1	1	1
495.7985@6.289	1	1	1	1	1	1	1
4-Amino-1-piperidinecarboxylic acid	1	1	34473	1	1	1	1
4-Aminobenzenesulfonate	1	1	1	1	1	1	1
4-Cumylphenol	1	1	1	1	1	1	15034
4-Dimethylamino-L-phenylalanine +6.7469997	1	1	1	1	1	1	1
4-Hydroxy-2-quinolone +1.213	1	1	1	1	1	1	1
4'-Hydroxyminoxidil	1	1	1	1	9812	1	1
4-keto palmitic acid +1.1575	1	1	1	1	1	1	1
4-keto pentadecanoic acid	1	1	1	1	1	1	1
4-Methoxytyramine	1	1	1	1	1	1	117639
4-Methyl-5-thiazoleethanol	1	1	1	1	1	57641	1
4-Methylaminobutyrate +6.781	1	1	1	1	1	1	1
4-Methylhistamine	1	1	1	1	1	1	1
4-tert-Octylphenol +5.1075	1	1	1	1	1	1	1
5,7,3',4',5'-Pentahydroxyflavanone	1	1	1	1	1	1	1
5,7,3'-Trihydroxy-4',5'-dimethoxy-6,8-di-C-methylflavanone	1	1	1	1	1	1	1
526.6542@7.67	1	1	1	1	1	1	1
530.8102@6.4744997	7273	1	1	1	1	1	1
539.8249@6.5290003	1	1	1	1	1	1	1
541.6642@7.784	34901	1	1	1	1	1	1
552.8325@6.428	1	1	1	8037	1	1	1
570.6805@7.906	1	1	1	39619	1	1	1
575.4893@1.0825	1	1	1	23618	1	1	1
583.2558@1.0825	1	1	1	13803	1	1	1
5-Acetamidovalerate	1	1	1	1	1	1	31816
5beta-Chola-3,8(14),11-trien-24-oic Acid +1.005	1	1	1	1	1	1	1
5beta-Chola-3,8(14),11-trien-24-oic Acid +1.5235	1	1	1	1	1	1	1
5-Hydroxydopamine +2.883	1	1	1	1	1	1	1
5-Hydroxyectoine +7.6464996	1	1	1	1	1	1	1
5-Hydroxymethylcimetidine	1	1	1	1	1	1	1
5-Methylthiopentanaldoxime	1	1	1	1	1	1	139056
5-Nitro-2-Phenylpropylaminobenzoic Acid [Nppb]	1	1	1	1	1	1	1
5-trans U-44069	1	1	1	1	1	1	8201
6-(1,2,3,4-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone	1	1	1	1	1	1	1
6?-Hydroxy-castasterone	1	1	1	8010	1	1	1
614.7067@8.252	1	1	1	1	1	1	1
628.3781@6.9515	1	1	1	1	1	1	1
661.5998@3.6525002	1	1	1	1	1	1	1
693.9164@7.502	1	1	1	1	1	1	1
6-Benzylaminopurine	1	1	1	1	1	1	1
6-bromo-5,9-hexacosadienoic acid	1	1	11332	1	1	1	1
6-bromo-5,9-hexacosadienoic acid +4.4300003	1	1	19257	1	1	1	1
6-Dimethylaminopurine +6.2795	1	1	1	1	1	1	1
6E-Dodecen-1-ol +4.278	1	1	1	1	1	1	1
6-nonenal +5.1619997	1	1	1	1	1	1	1
6-piperazin-1-yl-Isoquinoline	1	1	1	1	1	1	1
7(Z)-Tricosene	1	1	1	1	1	7562	1
7,12-Dimethylbenz[a]anthracene	1	1	1	1	1	1	7494
7?-Hydroxy-7-Desacetoxykhivorinic Acid, Methyl Ester	1	1	1	1	1	1	1
752.7892@9.1935005	1	1	1	1	1	1	1
766.5736@1.05	1	1	1	1	1	1	1
772.2677@1.015	1	1	1	1	1	1	1
789.6478@1.018	10615	30084	1	1	1	1	1
7a-Ethynylestradiol 3-glucuronide	1	1	1	1	1	1	1
7a-Ethynylestradiol 3-glucuronide +1.4805	1	1	1	1	1	1	1
7-Deacetylkhivorin	1	1	1	1	1	1	1
7H-Dibenzo[c,g]carbazole +7.6464996	1	1	1	1	1	1	23966
7-Hydroxytrifluoperazine glucuronide	1	1	1	1	1	1	1
7-Hydroxytrifluoperazine glucuronide +2.5405002	1	1	1	1	1	1	1
7-Hydroxytrifluoperazine glucuronide +3.257	1	1	1	1	1	1	1
7-Methoxy-2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran	1	1	1	1	1	1	1
7-Methylxanthine +3.2965002	1	1	1	1	1	1	1
7-Oxoheptanoic acid +8.1285	20477	1	1	1	1	1	1
8,9-dihydroxy-5,11,14-eicosatrienoic acid +1.143	1	1	1	1	1	1	1
819.1613@1.017	1	1	1	1	1	1	1
844.6049@1.6955	1	1	1	1	1	1	1
844.8393@5.696	1	1	1	1	1	1	1
846.285@1.0165	1	1	1	1	1	1	1
895.7485@1.0485001	1	7675	1	1	1	1	1
8E,10E-Pentadecadienyl acetate	1	1	1	1	1	1	1
8E-Heptadecenedioic acid	1	1	1	1	1	1	1
8-Prenyllepidissipyrone	1	1	1	1	1	1	1
8-tridecynoic acid +1.129	1	1	1	1	1	1	1
9,11-Octadecadiynoic acid, 8-oxo-	15576	1	1	1	1	1	1
9,12-dioxo-dodecanoic acid +1.174	1	1	1	1	1	1	1
921.2929@1.0125	1	1	1	1	1	1	1
946.82@5.704	1	1	1	1	1	1	1
980.2711@1.027	1	1	1	1	41279	1	1
9-amino-nonanoic acid +4.45	1	1	1	1	1	1	1
9-Nitrooleate	1	1	1	1	1	1	1
9-O-Demethyl-2alpha-hydroxyhomolycorine +3.184	1	1	1	1	1	1	1
9S,10S,11R-trihydroxy-12Z-octadecenoic acid +1.2165	6459	1	1	1	1	1	1
9-undecynoic acid +1.155	1	1	1	1	1	1	1
A 80987 +1.0995	1	1	1	1	1	24330	1
a-[1-(ethylamino)ethyl]-p-hydroxy-Benzyl alcohol	1	1	1	1	1	1	1
Acarbose (M8)	16167	1	1	1	1	1	1
Acexamic Acid +7.4985	1	1	1	1	1	1	14149
Actinidine	1	1	19498	1	1	1	18788
Ac-Tyr-OEt +5.34	29558	1	1	1	1	1	1
Agavegenin A	1	1	1	1	1	1	1
Agomelatine	1	1	1	1	1	1	1
Ala Ile Ile	1	1	1	1	1	1	1
Ala Trp Ala	1	32061	1	1	1	1	1
Ala Trp Glu	1	1	1	1	1	1	1
albendazole sulfone	1	1	1	1	1	1	9289
Allopumiliotoxin 267A +5.434	1	1	1	1	1	1	1
Allopumiliotoxin 267A +5.5225	1	1	1	1	1	1	1
Allyl chloride	1	1	1	1	1	1	51629
alpha-Sanshool	1	1	1	1	1	1	1
Alpinine	1	1	1	1	1	1	1
Amdinocillin	1	1	1	1	1	1	38099
aminocaproic acid +4.5415	1	1	1	1	1	38390	1
Amiprilose	1	1	1	1	1	1	1
Amiprilose +1.0855	5346	1	1	1	1	1	1
Ammodendrine +6.915	1	1	1	1	1	1	1
AM-toxin I	1	1	1	1	1	1	1
AM-toxin I +6.5865	1	1	1	1	1	1	1
Anandamide (20:2, n-6) +1.2969999	1	1	1	1	1	1	1
Angolensic Acid, Methyl Ester	1	1	1	1	1	1	1
Anhalonidine +6.065	1	1	12638	1	1	1	1
Ansamitocin P3	1	1	1	1	1	1	8275
Arene oxide +8.076	1	1	1	1	1	1	33933
Arg Gln Arg	8609	1	1	1	1	1	1
Arg Met Cys	1	1	1	1	1	1	1
Arg Trp Trp	1	6858	1	1	1	1	1
Arg Trp Trp +1.241	1	24347	1	1	1	1	1
Arg-OEt	1	1	1	1	1	1	27790
Asp Val Ser	1	1	1	1	1	1	1
Aspidinol	1	1	1	1	1	1	1
Atraton +6.509	1	1	1	1	1	1	1
Auriculasin	1	1	1	1	1	1	1
Avermectin A1a monosaccharide +7.5135	1	1	1	1	1	1	12411
Barbital	1	11309	1	1	1	1	1
Barbital +2.3965	1	6524	1	1	1	1	1
Barbital +7.302	1	1	1	1	1	1	1
Benazepril	1	1	13872	1	1	1	1
Benzyl chloride	1	1	1	1	1	1	38058
Benzylbutylphthalate	1	1	1	1	1	1	1
Benzyloxyphenylisoserine Methylester +1.994	1	1	1	1	1	1	6037
Bestatin +7.646	1	1	1	1	1	1	1
Bestatin +8.5805	60121	1	1	1	1	1	1
b-Glucose	1	1	1	1	1	1	1
Bifenazate +2.097	1	1	1	1	1	1	12721
Bikhaconitine	1	7006	1	1	1	1	1
BILA 2185BS	1	24665	1	1	1	1	1
Bioresmethrin	1	1	1	1	1	1	9222
Bioresmethrin +6.0765	1	1	1	1	1	1	1
bis(4-fluorophenyl)-Methanone	1	1	1	1	1	1	11911
B-Octylglucoside +1.194	1	1	1	1	1	1	1
Bufotalin	1	1	1	1	1	1	1
Bufotalin +3.264	1	1	1	1	1	1	1
Butralin +6.9285	1	1	7573	1	1	1	1
Byakangelicin	1	1	1	1	6204	1	1
C10 H17 N5 O3	1	1	1	1	11058	1	1
C10 H17 N5 O3 +2.6525	1	1	1	1	30801	1	1
C10 H18 N2 O S	1	1	1	1	1	1	672156
C10 H19 N5 O2	1	1	104188	1	1	1	1
C10 H24 N6 O	1	19756	1	1	1	1	1
C11 H15 N2 O S	1	1	1	1	1	1	55520
C11 H15 N3 O4 S	1	1	1	1	1	1	417759
C11 H20 N2 O3 S	1	1	1	1	30134	1	1
C11 H22 N4 O3	1	1	34310	1	1	1	1
C11 H25 N	1	1	1	1	1	1	1
C11 H9 N	1	1	1	1	1	1	12773
C12 H15 N4	1	1	1	1	1	1	1
C12 H18	1	1	1	1	1	1	1
C12 H19 N5	1	1	1	1	1	1	1
C12 H26 N2 O S	1	1	1	1	1	1	1
C12 H26 O2 S2	23046	1	1	1	1	1	1
C12:4n-2,4,8,10	1	1	10640	1	1	1	1
C12:5n-1,3,5,7,9	1	11937	1	1	1	1	1
C13 H20 N	1	1	1	1	1	1	1
C13 H23 N3 O S	1	1	1	1	1	1	19936
C13 H28 Cl2 N6 O5 S	1	1	1	1	1	1	1
C13 H28 O3 S2 +2.839	1	1	1	1	1	1	1
C13 H29 N +4.2725	1	1	1	1	1	1	1
C14 H11 N2 O	1	1	1	1	1	1	1
C14 H21 N8 O	20422	1	1	1	1	1	1
C14 H23 O2 S	1	1	1	1	1	1	22874
C14 H25 N5 O3	1	1	1	1	1	1	1
C14 H25 N5 O3 +7.276	1	1	34961	1	1	1	1
C14 H26 Cl O4	1	1	1	1	1	1	1
C14 H27 N5	7076	1	1	1	1	1	1
C14 H30 O3 +1.168	1	5214	1	1	1	5010	1
C14 H30 O8	388030	1	1	1	1	1	1
C14 H32 N4 O2	1	17179	1	1	1	1	1
C14:5n-1,3,5,7,9	1	1	1	1	1	1	1
C15 H11 N2	1	1	1	1	1	1	1
C15 H21 N9	1	1	1	1	1	1	1
C15 H24 N4 O	1	1	1	1	1	1	1
C15 H32 N2 O2	1	1	1	1	1	1	1
C15 H32 N4 O2	1	1	1	1	18727	1	1
C15 H5 N3 O	1	1	1	1	1	1	1
C15 H8 Cl N3 O	1	22975	1	1	1	1	1
C16 H20 N9	1	1	1	1	1	1	1
C16 H22 N2 O4	1	1	1	1	1	1	68681
C16 H22 N2 O4 +2.9415	1	1	1	1	1	1	106147
C16 H28 N4 S	64950	1	1	1	1	1	1
C16 H31 N2 O2	1	1	1	1	1	1	1
C16 H35 N S2	1	5654	1	1	1	1	1
C16 H41 Cl2 N8	1	1	1	1	1	1	1
C16 H9 N2	1	1	1	1	1	1	12161
C17 H18 N3 O	1	1	1	1	11514	1	1
C17 H32 N2 O	1	1	1	1	1	1	1
C17 H34 N2 O	1	1	1	1	1	1	1
C17 H35 Cl N2 O2	1	1	1	1	1	1	1
C17 H35 N8 O2	5017	1	1	1	1	1	1
C17 H40 N3 O3 S	1	5133	1	1	1	1	1
C17 H43 N16 O7 +6.7905	1	1	1	1	1	1	1
C17 N O18 S2	1	1	1	1	1	1	1
C18 H O19 S2	1	1	1	1	1	1	1
C18 H13 N5 O15 S	1	1	1	1	1	1	1
C18 H18 N2	1	1	1	1	1	1	1
C18 H25 N2 O	1	1	1	1	1	1	5248
C18 H38 O13	1	1	1	1	1	1	1
C18 H44 N6 S3	8625	1	1	1	1	1	1
C18 H9 N2 O	1	1	1	1	1	1	22002
C19 H15 Cl N6 O4 S2	1	1	1	1	1	1	1
C19 H16 N O S	1	19809	1	1	1	1	1
C19 H23 N15 O5	1	1	1	1	1	1	1
C19 H25 N2 S +2.882	1	1	1	1	1	1	1
C19 H36 N16 O9	1	1	1	1	1	1	1
C19 H41 N O4	1	1	1	1	1	1	1
C19 H48 N16 O8	1	1	1	1	1	1	1
C19 H51 N14 O10	1	1	1	1	1	1	1
C19 H6 N5 O11 S	1	1	1	1	1	1	1
C19 N2 O17 S2	1	1	1	1	1	1	1
C20 H21 N9 S3	1	1	1	1	7469	1	1
C20 H35 N15 O2	1	46195	1	1	1	1	1
C20 H39 N14	1	1	1	1	1	1	1
C20 H42 N16 S	1	1	1	1	1	1	1
C20 H43 N	1	1	1	1	1	1	1
C20 H49 N8 O10 S	1	1	1	1	283400	1	114003
C20 H5 N3 O6	1	1	1	1	1	1	1
C21 Cl3 N2 O4 S	1	1	1	1	1	1	1
C21 H47 Cl N8 S	11104	1	1	1	1	1	1
C21 H48 Cl2 N6 O S	1	1	1	1	1	1	1
C21 H48 N3 S2	1	41851	1	1	1	1	1
C21 H52 N16 O9	1	1	1	1	1	1	1
C22 H12 N O S2	1	1	1	1	20439	1	1
C22 H39 N12 O2	1	1	1	1	1	1	1
C22 H4 O26 S	1	1	1	1	1	1	1
C22 H46 Cl N9 O	1	1	1	1	1	1	1
C22 H47 N	1	1	1	1	1	1	1
C22 H51 N5 S3	1	1	1	1	1	1	1
C22 N O19 S	1	1	1	1	1	1	1
C22:5n-3,7,10,14,18 +1.689	1	1	1	1	1	1	1
C23 H15 N2 O24	1	1	1	1	1	1	1
C23 H22 N20 O5	1	1	1	1	1	1	1
C23 H32 +1.0035	1	1	1	1	1	1	1
C23 H40 N19 O8	1	1	1	1	1	1	1
C23 H43 N S	1	1	1	1	1	1	1
C23 H44 N8 O3	1	1	1	1	1	1	1
C23 H45 N4 O2	1	1	1	1	1	1	1
C23 H50 Cl2 N3 O2	8120	1	1	1	1	1	1
C23 H52 N17 O8	1	1	1	1	1	1	1
C24 H N3 O18 S	1	1	1	1	1	1	1
C24 H13 N	1	1	1	1	1	1	19181
C24 H23 N13 S2	1	1	1	1	1	1	1
C24 H30 N4 O6	1	1	1	1	1	1	1
C24 H35 N12 O	1	10367	1	1	1	1	1
C24 H38 O S	8812	1	1	1	1	1	1
C24 H49 N22	1	1	1	1	1	1	1
C24 H56 N17 O13	1	9661	1	1	1	1	1
C24 H8 N3 O25 +7.4055	1	1	1	1	1	1	1
C25 H3 N4 O21 S	1	11194	1	1	1	1	1
C25 H34 N7 O2	1	1	1	1	1	1	1
C25 H36 N7 O2	1	1	1	1	1	1	1
C25 H45 N +3.7875	1	21974	1	1	1	1	1
C25 H45 N20 O2	1	1	1	1	1	1	1
C25 H49 Cl N O7	8577	1	1	1	1	1	1
C25 H49 N5 O4	1	9661	1	1	1	1	1
C25 H49 O S	1	1	1	1	1	1	1
C25 H5 O21 S	1	1	1	1	1	1	1
C25 H51 N8 O2	1	6776	1	1	1	1	1
C25 H52 N6 O8 S5	1	1	1	1	1	1	8199
C26 H11 N4 O28	1	12228	1	1	1	1	1
C26 H12 N3 O26	1	1	1	1	1	1	1
C26 H2 O19 S	1	1	1	1	1	1	18971
C26 H23 N10 O3 S	1	1	1	1	1	1	1
C26 H30 N11 O +2.9359999	1	1	1	1	1	1	7880
C26 H40 O8	1	1	1	1	1	1	1
C26 H40 O8 +2.5349998	1	1	1	1	1	1	1
C26 H40 O8 +3.2610002	1	1	1	1	1	1	1
C26 H46 N12	1	1	1	5894	1	1	1
C26 H46 S	1	1	1	1	1	1	1
C26 H53 N8 O2	1	6275	1	1	1	1	1
C26 H53 N8 O4	1	6686	1	1	1	1	1
C26 H54 N O10 S3	1	1	1	1	1	1	13028
C27 H2 N3 O9	1	1	1	1	1	1	1
C27 H20 N11 O15	19806	1	1	1	1	1	1
C27 H3 N5 O20	1	1	1	1	1	1	1
C27 H32 N2	1	1	1	1	1	1	194047
C27 H38 N4 O3	1	1	1	1	1	1	1
C27 H43 N18 O	1	1	1	1	1	1	1
C27 H54 Cl2 N3 O2	1	1	1	1	1	1	1
C27 H55 N10 O10	1	1	1	1	1	1	1
C27 H55 N8 O3	1	7562	1	1	1	1	1
C28 H37 N3	1	1	1	1	1	1	1
C28 H38 N4 O4	21940	1	1	1	1	1	1
C28 H46 O8	1	1	1	1	1	1	1
C28 H47 N6 O8	1	1	1	1	1	1	1
C28 H57 N8 O3	1	7531	1	1	1	1	1
C28 O28	1	1	1	1	1	1	1
C29 H36 N28 O4	1	1	1	1	1	1	1
C29 H4 N2 O21	1	1	1	1	1	1	1
C29 H48 N7 O18	1	1	1	1	1	1	1
C29 H51 N8 O3	1	1	1	11170	1	1	1
C29 H53 N11	1	1	1	1	1	1	1
C29 H56 O8 S3	1	1	1	1	1	1	17899
C29 H57 N4 O5	1	1	1	1	1	1	1
C29 H6 N5 O21 +7.5264997	1	1	1	1	1	1	1
C29 H7 N5 O16	1	1	16331	1	1	1	1
C29 H8 N6 O10 +8.424	1	1	1	11387	1	1	1
C3 Cl N O3 S3 +2.119	1	1	1	1	1	1	1
C3 H5 N +1.858	1	1	1	1	1	1	73908
C30 H51 N O12	1	126937	1	1	1	1	1
C30 H53 N15 O7	1	1	1	1	1	1	1
C30 H58 Cl O15 S4	1	1	1	1	1	1	1
C30 H67 N20 O16	1	7311	1	1	1	1	1
C31 H36 N13 O3	1	1	1	1	1	1	1
C32 H44 N8 O4	1	1	1	1	1	1	1
C32 H59 N12	1	5645	1	1	1	1	1
C33 H11 N6 O25	1	6717	1	1	1	1	1
C33 H27 N17 O11	1	1	1	1	1	1	1
C33 H31 N13 O	1	1	1	1	1	1	1
C33 H40 N11 O2	1	1	9187	1	1	1	1
C33 H43 Cl N6 O3	1	1	1	1	1	1	9286
C33 H52 N7 S2	1	1	1	1	1	1	1
C33 H55 N O S	1	1	1	7701	1	1	1
C34 H42 N2 O3	1	1	1	1	1	1	1
C34 H50 O S	1	1	1	1	1	1	1
C35 H45 N2 O2	1	1	1	1	1	1	1
C35 H68 N11 O2	1	1	1	1	1	1	1
C36 H35 O S4	1	1	1	1	1	1	1
C36 H39 O2	1	1	1	1	1	1	1
C36 H4 N O18	1	1	1	1	1	1	1
C37 H30 Cl N5 O	1	1	1	1	1	1	1
C37 H34 N O	1	1	1	1	19978	1	1
C37 H45 N3 O	1	1	1	1	1	1	1
C37 H51 N22 O2	1	13416	1	1	1	1	1
C37 H54 N14	1	1	1	1	1	1	1
C38 H19 N6 O27	1	5688	1	1	1	1	1
C38 H28 N13 O2 S2	1	1	1	1	1	1	1
C38 H64 N20 O4	1	1	1	1	1	1	1
C39 H47 N8 O3	1	1	1	1	1	1	5082
C39 H48 N25 O4	1	7476	1	1	1	1	1
C39 H57 N3 O2	1	1	1	5608	1	1	1
C39 H82 N6 O11 S	1	1	1	1	1	1	1
C4 H9 Cl O3 S3	1	1	1	1	1	1	1
C40 H Cl N4 O	1	1	1	1	6398	1	1
C40 H44 Cl N S3	1	1	1	1	1	1	1
C40 H46 N O4 S	1	1	1	1	1	1	56717
C40 H49 N20 O	1	1	1	1	1	1	1
C40 H78 N2 O2	1	1	1	1	1	1	1
C40 H80 Cl N6 O2	8676	1	1	1	1	1	1
C40 H81 N4 O S2	1	5825	1	1	1	1	1
C41 H26 N3 O3	1	1	1	1	1	1	1
C41 H78 N6 O7 S	1	1	1	1	1	1	1
C42 H28 N18 O6 S	1	1	1	1	1	1	1
C42 H32 N9 O	1	1	1	1	1	1	1
C42 H82 N2 O2	1	1	1	1	1	1	1
C42 H83 N O4	1	1	1	1	1	1	1
C43 H56 N3	8159	1	1	1	1	1	1
C45 H98 N21 O3	1	1	7772	1	1	1	1
C46 H38 N2 O	1	1	1	1	1	1	6775
C46 H67 N15 O S	1	1	1	1	1	1	1
C47 H71 Cl O13	1	1	1	1	1	1	7962
C48 H76 N10 O3	1	1	1	1	1	1	1
C48 H83 N O14 S2	1	1	1	1	1	1	1
C49 H95 N O2 S2	20267	1	1	1	1	1	1
C5 H12 N2 O S	1	1	1	1	58665	1	1
C50 H52 N13 O2	1	7456	1	1	1	1	1
C50 H7 N8 O13	1	7726	1	1	1	1	1
C51 H74 N2 O4 S4	1	1	1	1	1	1	14523
C53 H68 N8 O3	1	1	1	1	1	1	1
C55 H58 N10 O2	1	9877	1	1	1	1	1
C6 H10 N6	1	1	1	1	1	1	1
C6 H13 N2 S	1	1	1	1	1	6949	1
C6 H4 O S +8.0745	1	1	1	1	1	1	77398
C6 H9 N S	1	1	1	1	1	1	63170
C7 H12 N5	1	1	1	1	1	1	19193
C7 H13 O4 S	1	1	1	1	1	1	138386
C7 H16 N2 O3	1	10645	1	1	1	1	1
C7 H17 Cl N O4	9412	1	1	1	1	1	1
C7 H17 Cl N O4 +2.1104999	15937	1	1	1	1	1	1
C7 H17 N4 O3 S	1	1	1	1	1	1	1
C8 H14 S	1	1	1	1	1	1	191224
C8 H15 N2 O2	1	1	1	1	1	1	21465
C8 H17 Cl2 N4 O	1	1	1	1	27799	1	1
C8 H18 N2 O2 +6.285	1	1	1	1	1	1	1
C8 H2 Cl2 N S2 +2.204	1	1	1	5465	1	1	1
C8 H20 N9 O	1	1	1	1	1	1	1
C8 H22 Cl N6	1	8018	1	1	1	1	1
C8 H9 N O5 S	1	1	1	1	1	1	39314
C9 Cl3 N2 O6 S4	8256	1	1	1	1	1	1
C9 H10 Cl N	1	20667	1	1	1	1	1
C9 H11 N O2 S	1	1	1	1	1	1	88375
C9 H11 N O3 S	1	1	1	1	1	1	274313
C9 H15 N2	1	1	5470	1	1	1	1
C9 H20 O6	37321	1	1	1	1	1	1
C9 H26 N10 O	1	1	1	1	1	1	1
C9 H27 N10	1	1	1	1	1	1	1
C9 H3	1	1	1	1	1	1	9932
Callytriol C	1	1	1	1	1	1	1
Calomelanol G	1	32609	1	1	1	1	1
Calycanthidine	1	1	1	1	1	1	1
Candimine	1	1	1	1	1	1	1
Capillartemisin B	1	1	1	1	13126	1	1
Capryloylglycine +7.483	1	1	1	1	1	1	1
Cardiogenol C	1	1	1	1	1	1	12597
Carolinianine +4.4344997	1	1	36067	1	1	1	1
Carpipramine	1	1	1	1	1	1	1
Carteolol	1	1	1	1	1	1	1
Carteolol +7.7135	10145	1	1	1	1	1	1
Castanospermine +2.093	1	1	1	1	1	1	1
Cavinine +2.0180001	1	15546	1	1	1	1	1
CAY10449	1	1	1	36878	1	1	1
CAY10492 +2.2529998	1	1	1	1	1	1	15256
CAY10506	1	1	1	1	1	1	18533
CAY10506 +2.0825	1	1	1	1	1	1	8994
Cefoxitin	1	1	1	1	1	1	7076
Cer(d18:1/18:1(11Z))	1	1	1	1	1	5513	1
Cer(d18:2/20:0)	1	1	1	1	1	5612	1
CGH 2466	1	1	1	1	1	1	1
Chamazulene	1	1	1	1	18224	1	1
Cholest-5-ene	1	6872	1	1	1	1	1
Cholic acid glucuronide	1	1	1	1	1	1	21584
Cholic acid glucuronide +3.6834998	1	1	1	1	1	1	7908
ciclopirox	1	1	1	1	1	1	1
cimicifoetiside B	1	15216	1	1	1	1	1
cis-Caryophyllene +1.087	1	5844	1	1	1	1	1
cis-Chlorobenzene dihydrodiol	1	1	1	1	1	1	1
Convolamine	1	1	1	1	1	1	1
Convoline	1	1	1	1	1	1	93837
coumarin-SAHA	1	1	1	1	1	1	30479
CPA(18:0)	1	1	7354	1	1	1	1
Cryptophycin 1	1	1	1	1	8403	1	1
Cycleanine +1.8385	1	1	1	1	13860	1	1
Cyclopentanone	1	1	1	1	1	1	1
d-Dethiobiotin	1	1	1	1	20080	1	1
Dehydroabietamide	1	1	8200	1	1	1	1
Dehydroandrosterone +1.1034999	1	1	1	1	31479	1	1
Dehydrofalcarinol	120769	1	1	1	1	1	1
Demissine	1	15118	1	1	1	1	1
Deoxymiroestrol +1.077	1	1	1	1	1	1	1
Depdecin	9502	1	1	1	1	1	1
Desacetylcolchicine	1	1	1	1	1	1	1
Desethylchloroquine	1	1	1	1	1	1	1
Desmethyl rosuvastatin	1	1	1	1	1	1	1
Desmethyldescarbamoylnovobiocin	1	1	1	1	1	1	1
D-Fructofuranose 1,2':2,3'-dianhydride	1	1	1	46271	1	1	1
DG(14:1(9Z)/20:3(8Z,11Z,14Z)/0:0)	1	1	1	6365	1	1	1
DG(18:0/22:1(13Z)/0:0)[iso2]	1	1	1	1	1	1	1
DG(18:1(11Z)/18:2(9Z,12Z)/0:0)	1	1	1	1	1	1	1
DG(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]	1	1	1	1	1	1	1
DG(O-16:0/18:1(9Z))	1	1	1	1	1	5814	1
D-Glucose oxime	1	1	1	1	1	1	12020
D-Glutamine	1	51319	1	1	1	1	1
Diethyl Oxalpropionate	1	1	1	1	1	1	1
Diethylcarbamazine	1	1	1	1	1	1	1
Diethylcarbamazine +4.625	1	1	1	1	1	1	1
Diethylene glycol +7.8655	1	1	1	1	1	1	56670
Dihomo-PGI2	1	1	1	1	1	1	1
Dihydrocelastryl Diacetate	1	1	1	1	1	1	1
Dihydromacarpine	9081	1	1	1	1	1	1
Dihydroxycarteolol M2 +1.9895	1	1	1	1	1	1	1
Dihydroxymelphalan +7.2174997	1	1	1	1	1	1	1
Dinoflagellate luciferin +1.4595001	1	1	1	1	1	1	1
Dinoflagellate luciferin +2.828	1	1	1	1	1	1	1
Dinoflagellate luciferin +5.998	1	1	1	1	1	1	10168
Diphenylcarbazide +1.3025	1	1	1	1	1	1	1
Dodeca-2(e),4(e)-dienoic acid isobutylamide	1	1	1	1	1	1	1
Dodecanol	1	1	1	1	1	1	1
Doisynoestrol	1	1	1	1	12108	1	1
Doisynoestrol +2.0085	1	1	1	1	8641	1	1
Dopamine glucuronide	1	1	1	1	1	1	1
Dopamine glucuronide +6.818	1	1	1	1	1	1	1
Doxepin	1	1	1	1	1	1	61824
D-Phenyllactic acid	30849	1	1	1	1	1	1
Ectoine	1	1	1	1	1	1	1
emedastine	18708	1	1	1	1	1	1
Emopamil	1	1	1	1	1	1	11340
Enicoflavine +6.347	1	1	1	1	1	1	1
ent-8-iso Prostaglandin F2?	1	1	1	1	1	1	1
ent-Corey PG-Lactone Diol +1.6730001	1	1	1	1	1	1	1
Ephedroxane	1	1	1	1	1	1	1
Epinine	1	1	1	1	1	1	31396
Epithienamycin B	1	1	1	1	1	1	18383
Epoxy (4,5?)-4,5-Dihydrosantonin	1	1	1	1	1	1	1
Estradiol-17-phenylpropionate	1	1	1	1	1	1	1
Ethyl 3-(N-butylacetamido)propionate +6.391	1	1	1	1	1	1	1
Ethyl syringate	1	1	1	13130	1	1	1
Ethyl syringate +1.6365	8569	1	1	1	1	1	1
Ethyl-imidazole carboxylate	1	1	1	1	1	1	1
Ethylketocyclazocine	1	1	1	1	1	1	20777
Ethyl-p-coumarate	1	1	1	1	1	1	1
Fagomine	1	1	1	1	1	1	1
Fampridine +5.4175	1	1	1	1	1	1	25391
Farfugin A	1	7375	1	1	1	1	1
Fasoracetam	1	1	1	1	1	1	1
Felbamate	1	1	1	1	1	1	1
Fenuron	1	1	1	1	1	1	1
Ferimzone	6209	1	1	1	1	1	1
Filicin	1	1	1	1	1	1	6319
Flavoxate	1	1	115663	1	1	1	1
Fluenetil	1	1	1	1	1	1	37905
flumethasone pivalate	1	1	1	1	1	1	1
flumethasone pivalate +3.5254998	28039	1	1	1	1	1	1
Flupenthixol-O-glucuronide +6.056	1	1	1	1	12542	1	1
Fluvoxamine +6.495	1	1	1	1	1	1	1
Formyl-5-hydroxykynurenamine	1	1	1	12556	1	1	1
Fumonisin A1	1	15574	1	1	1	1	1
Furafylline	1	1	1	1	1	1	1
Fusicoccin H	1	1	1	1	1	1	1
GA	1	1	1	1	1	1	25658
Gabunine	1	6199	1	1	1	1	1
Gibberellin A9	1	1	1	1	16675	1	1
Gingerdione	1	1	1	1	11020	1	1
Gln Asn Tyr	1	1	1	1	1	5492	1
Gloriosine	1	1	11292	1	1	1	1
Glu Gln	1	1	1	1	1	1	1
Glu Gln +7.4525	1	1	1	1	1	1	1
Glu Ile	1	1	1	1	1	1	1
Glu-P-2	1	1	1	1	1	1	1
Gly Ile Ala	1	1	1	1	1	1	1
Gly Tyr Asp	1	8326	1	1	1	1	1
Glycolic acid	1	1	1	1	1	1	29703
Goniothalenol	1	1	1	1	1	1	1
Granisetron	1	1	1	1	14380	1	1
Granisetron +3.0314999	1	1	1	1	14818	1	1
Halfordinol	1	1	1	1	1	1	13871
HC Yellow No. 4	1	1	1	1	1	1	1
Herbimycin	1	1	1	1	1	1	1
Hexanoylglycine +6.0629997	1	1	1	1	1	1	1
Hildgardtene	1	1	1	1	1	1	10724
His Arg	1	1	1	28323	1	1	1
His Lys +2.8639998	1	1	1	1	1	1	1
His Pro +6.7775	1	1	1	1	1	1	1
Histidylleucine +2.924	34768	1	1	1	1	1	1
Homatropine +4.5395	1	1	12599	1	1	1	1
Hydroxybupropion	1	1	1	1	1	1	1
Hydroxyphenoxyethylaminohydroxypropanol +1.6329999	1	1	1	1	1	1	1
Hydroxyphenoxyethylaminohydroxypropanol +6.7525	1	1	1	1	1	1	1
Hypaphorine	1	1	1	1	1	1	1
Hypusine	1	1	1	1	1	1	1
Imidazoleacetic acid	1	49181	1	1	1	1	1
Immepip +9.62	1	1	1	1	1	1	1
Indole-3-carboxaldehyde	1	1	1	1	1	1	1
Ipconazole	1	8499	1	1	1	1	1
Ipecac (Psychotrine)	1	1	1	1	1	1	1
Iprovalicarb +7.3225	21501	1	1	1	1	1	1
Isofenphos	1	1	1	1	1	1	11267
Isopropenylacetic acid	1	1	1	1	1	1	1
Istamycin AO +5.0875	1	1	1	1	1	1	1
I-Urobilin +2.394	8693	1	1	1	8663	1	1
Jasplakinolide	1	1	1	1	1	1	1
Juvabione	14914	1	1	1	1	1	1
Karakoline	1	1	1	1	1	1	1
Karwinaphthol B	1	1	1	1	1	1	1
Ketamine	1	13806	1	1	1	1	1
l-2-hydroxy-decanoic acid +1.3299999	1	1	1	1	1	1	1
L-4-Hydroxy-3-methoxy-a-methylphenylalanine +7.3190002	1	1	1	1	1	1	1
Laserpitin	1	1	1	1	15060	1	1
L-beta-aspartyl-L-alanine +2.147	1	52431	1	1	1	1	1
Lentiginosine +1.3425	1	1	1	1	1	1	1
Lepidissipyrone	1	1	1	1	1	1	1
Leu Ala +7.8645	1	1	7566	1	1	1	7744
Leu Ala His	1	6027	1	1	1	1	1
Leu His Thr	1	8922	1	1	1	1	1
Leucomethylene blue (Reduced Methylene Blue)	1	1	1	1	1	1	31260
Leupeptin +1.1719999	5184	1	1	1	1	1	1
Leu-Val-OH	1	1	1	1	6131	1	1
Levofuraltadone	1	1	1	1	1	1	1
Levofuraltadone +3.7035	1	1	1	15220	1	1	1
L-Glutamic acid n-butyl ester	1	10754	1	1	1	1	1
L-glycyl-L-hydroxyproline	1	1	1	1	1	1	1
L-Homotyrosine +1.618	1	1	1	1	1	1	1
Linoleamide	1	1	1	1	1	1	1
Linoleamide +4.9425	1	1	1	1	1	1	1
lithocholic acid sulfate +6.3030005	15443	1	1	1	1	1	1
L-Lysine +8.948	1	1	1	1	1	1	1
Lophophorine +3.997	1	1	5828	1	1	1	1
L-Prolinamide +6.06	1	1	1	1	1	1	77912
L-Prolinamide +6.068	1	1	1	1	1	1	72328
Lucidine B	1	6921	1	1	1	1	1
L-Urobilin +2.483	1	1	1	1	1	1	1
L-Urobilin +6.068	1	1	1	1	1	1	1
Lys Arg Arg	1	1	1	1	1	1	1
Lysine	9100	1	1	1	1	1	1
M 344	1	10977	1	1	1	1	1
Maculosin	1	1	1	1	1	1	1
Mebhydrolin +8.7225	1	1	1	1	1	1	39514
Medroxyprogesterone glucuronide	1	1	1	1	1	1	5949
Mefenacet	1	1	1	1	1	1	45177
meglumine	1	1	1	1	1	1	311544
MeIQx +1.496	1	1	1	1	1	1	1
MeIQx +4.1850004	1	1	1	1	1	1	1
Melithiazole E	11979	1	1	1	1	1	1
Mepanipyrim	1	1	6277	1	1	1	1
Mescaline +7.1555	1	1	1	1	1	1	1
Met Asn	1	1	1	1	1	1	10446
Met Gln Gln	1	1	1	1	8796	1	1
Met Lys Pro	1	1	1	1	1	1	1
Metabutethamine	1	1	1	1	1	1	1
Metabutethamine +9.2465	103722	1	1	1	1	1	1
Metalaxyl +4.684	1	1	1	26989	1	1	1
Metamitron +1.0929999	1	1	1	1	1	1	1
Metamitron +1.813	6475	1	1	1	1	1	1
Meteloidine	1	29618	1	1	1	1	1
Meteloidine +7.0105	8600	1	1	1	1	1	1
Methionine	1	1	1	1	1	9499	19121
Methitural	1	1	1	1	1	1	85494
methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate	1	1	1	1	1	1	12283
Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside +1.77	1	1	1	1	1	1	1
Methyldopate +6.6475	1	1	1	1	1	1	1
Methyldopate +6.8044996	1	1	1	1	1	1	1
Methyl-L-NIO	1	18584	1	1	1	1	1
Methylthiobenzoylglycine	1	1	1	1	1	1	1
Methylthiouracil	1	1	1	1	1	1	68395
Metochlopramide	1	1	1	1	26803	1	1
MG(22:2(13Z,16Z)/0:0/0:0)	1	1	1	1	1	1	1
MID57897:(5E)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 3-oxide / (5E)-(3S)-1alpha,25-dihydr	1	1	1	1	1	1	1
Mikanin 3-O-sulfate	1	1	1	1	1	1	1
Militarinone B	1	1	48614	1	1	1	1
Militarinone B +4.35	1	1	33849	1	1	1	1
Mitragynine +1.375	1	1	1	1	1	1	1
Monocerin	1	1	1	1	1	1	10142
Monocrotaline +4.806	1	1	1	1	11816	1	1
Monocyclic botryococcane	1	1	1	1	1	1	1
Monoethyl phthalate	1	1	1	1	1	1	1
MRE-269 +1.3205	1	1	5389	1	1	1	9249
Mucronine B	1	1	1	1	1	1	1
Multiflorine	1	1	1	1	1	1	1
Muscimol +5.5670004	1	1	1	1	1	1	1
Musk xylene	1	1	1	1	1	1	252635
Mycolipenic acid (C25)	1	1	1	1	1	1	1
Mycophenolate mofetil	1	1	1	1	31060	1	1
N-(3,4-Dichlorophenyl)-malonamate	1	1	1	1	28639	1	1
N-(3-Indolylacetyl)-L-isoleucine	1	1	1	1	1	1	1
N-(3S-hydroxy-butanoyl)-homoserine lactone	1	6232	1	1	1	1	1
N(6)-(Octanoyl)lysine	1	1	1	1	1	1	1
N(alpha)-Benzyloxycarbonyl-L-leucine +6.272	11929	1	1	1	1	1	1
N(alpha)-Benzyloxycarbonyl-L-leucine +6.9075003	68996	1	1	1	1	1	1
N,N-Diethylphenylacetamide +6.5725	1	1	1	1	1	1	1
N,N-dimethylhistidine	1	1	1	1	1	1	1
N,O-Didesmethylvenlafaxine	1	1	1	1	1	1	1
N,O-Didesmethylvenlafaxine +4.611	60008	1	1	1	1	1	1
N,O-Didesmethylverapamil	1	1	47450	1	1	1	1
N6-Methyl-2'-deoxyadenosine	1	1	1	1	1	1	1
N-a-Acetylcitrulline	1	1	1	1	1	1	1
N-Acetyl-aspartyl-glutamate	1	1	1	1	1	1	11709
N-Acetylimidazole +3.9645	1	1	1	1	1	1	1
N-Acetylimidazole +7.701	1	1	1	1	1	1	22006
N-Acetyl-p-benzoquinonimine	1	1	1	1	1	1	110682
N-Acetylserine	1	1	1	1	1	1	54433
Naloxol	1	1	1	1	1	1	5397
Nap-Nap-OH	1	1	1	1	1	1	1
Nap-Nap-OH +3.0275002	1	1	1	1	1	1	1
N-Benzylformamide	1	1	1	1	1	1	1
N-Benzyloxycarbonylglycine	1	1	1	1	1	1	1
N-Butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine	1	1	1	1	1	8551	1
N-Cyclohexylformamide +5.6095	1	1	51903	1	1	1	1
N-Desmethylclobazam	1	1	1	1	32448	1	1
N-Desmethylnefopam glucuronide	1	1	1	1	1	1	1
Nefopam	1	1	1	1	1	1	23516
Nerol	1	1	1	1	1	1	1
Neurodazine +1.8585	1	1	1	1	1	1	1
Neurodazine +6.0594997	1	1	1	1	1	1	1
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine	1	16830	1	1	1	1	1
Ngamma-Nitro-L-arginine	1	1	1	1	1	1	12207
NH-DVal(NMe)-Val-OMe	1	1	1	1	1	1	1
N-heptanoyl-homoserine lactone +1.4219999	1	1	1	1	1	1	1
N-Hydroxy-L-phenylalanine	1	1	1	1	1	1	1
N-Hydroxy-L-phenylalanine +1.676	1	1	1	1	1	1	1
N-Hydroxy-L-phenylalanine +2.5025	1	17094	1	1	1	1	1
N-Hydroxypentobarbital	1	1	1	1	1	1	1
Nicotinamide riboside	1	1	1	1	1	1	1
Nicotinamide riboside +1.4165001	1	1	1	1	1	1	1
Niguldipine	1	1	1	1	1	1	1
N-isovalerylglycine +1.7674999	1	1	7507	1	1	1	1
N-isovalerylglycine +5.842	1	1	12255	1	1	1	1
Nitramine	1	1	1	1	1	1	1
N-Methyl-4-(3,4-dimethoxyphenyl)-4-cyano-5-methylhexylamine	1	1	72280	1	1	1	1
N-Methyltyramine	1	1	1	1	1	1	52110
N-Monomethyl-2-aminoethylphosphonate	1	1	6568	1	1	1	1
N-Nitrosodi-n-propylamine	1	1	196158	1	1	1	1
N-nonanoyl-L-Homoserine lactone	1	1	1	1	1	1	23563
Nonanoyl-CoA	1	7295	1	1	1	1	1
Nonanoyl-CoA +1.014	1	1	1	1	1	1	1
Nonate	1	1	1	1	1	1	1
Normeperidinic acid glucuronide	1	6859	1	1	1	1	1
Noroxymorphone	1	1	1	1	1	1	29465
Noroxymorphone +2.2745	1	1	1	1	1	1	16093
N-palmitoyl phenylalanine	1	1	1	1	1	1	1
N-undecanoyl-L-Homoserine lactone	1	1	1	1	1	1	1
O-?-D-Xylosylzeatin	1	1	1	1	1	1	1
O-Acetylhomoserine	1	1	1	1	1	1	1
O-Acetylhomoserine +2.481	1	1	1	1	1	1	9120
Obtusilic acid +1.143	1	1	1	1	1	1	1
Octylamine	1	1	1	1	1	1	1
O-Desmethylvenlafaxine	54800	1	1	1	1	1	1
O-Desmethylverapamil	1	1	131645	1	1	1	1
Okadaic acid	1	15139	1	1	1	1	1
Olanzapine	1	1	1	1	1	1	1
Olanzapine +3.5809999	1	1	1	1	29008	1	1
Olanzapine +4.1235	1	1	1	1	1	1	1
Olanzapine +4.27	1	1	1	1	1	1	1
Olomoucine	1	1	1	1	1	1	1
Omeprazole sulfide	1	1	1	1	1	1	12717
Omeprazole sulfide +1.5044999	1	20679	1	1	1	1	1
Ornaline	1	1	10267	1	5933	1	1
Orthothymotinic Acid	1	1	1	1	1	1	1
Oxamflatin	1	1	1	1	1	1	9635
Oxfendazole	1	1	1	1	1	1	11919
Oxidized Latia luciferin	1	1	1	1	1	1	1
PA(13:0/18:3(6Z,9Z,12Z))	1	1	1	1	1	1	1
PA(13:0/18:4(6Z,9Z,12Z,15Z))	1	1	1	1	1	1	1
Panaxynol	1	1	1	1	1	1	1
Pantetheine	1	1	1	1	76429	1	1
para-Benzoquinone dioxime +1.734	1	1	1	1	1	1	1
Paravallarine	1	1	1	1	1	1	1
Pargyline +6.3295	1	1	1	1	1	1	1
PE(17:2(9Z,12Z)/0:0)	1	1	1	1	1	1	1
PE(18:1(9Z)/0:0)	1	1	1	1	1	1	1
PE(19:0/0:0)	1	6473	1	1	1	1	1
PE(O-16:0/18:3(9Z,12Z,15Z))	1	11649	1	1	1	1	1
Pefurazoate	1	1	1	1	1	1	7529
Pelargonyl acetic acid	1	1	1	1	1	1	1
Pentetic acid	11363	1	1	1	1	1	1
Pentobarbital	1	1	1	1	1	1	1
Perindopril lactam	1	1	1	1	1	1	1
Perindopril lactam +7.535	1	1	1	1	1	1	1
Perindoprilat lactam A +1.62	1	1	1	1	1	1	1
Perindoprilat lactam A +7.4085	1	1	1	1	1	1	1
PG(12:0/17:0) +1.023	1	109202	1	1	1	1	1
PG(14:0/18:3(9Z,12Z,15Z))	1	1	1	1	1	1	1
PG(19:1(9Z)/0:0)	1	1	1	1	1	1	7780
Phalaenopsine T	10620	1	1	1	1	1	1
Phe Cys	1	1	1	1	1	1	18906
Phe Phe Gln	1	1	1	1	1	1	1
Phe Phe Gln +5.729	1	1	1	1	1	1	1
Phe Thr	1	1	1	1	1	1	1
Phe Thr Cys	1	1	1	1	1	1	72064
Phenformin	1	1	1	1	1	1	1
Phenylbutyrylglutamine	1	1	1	1	1	1	1
Phenyltoloxamine	1	1	1	1	1	1	1
p-Hydroxygliquidone	1	1	1	1	1	1	1
p-Hydroxymexiletine	1	1	1	1	7144	1	1
p-Hydroxynorpseudoephedrine +3.6155	1	1	1	1	1	1	1
Phytuberin	1	1	1	1	20482	1	1
PI(12:0/12:0) +7.3865004	1	1	1	1	1	1	1
PI(12:0/15:0)	1	7520	1	1	1	1	1
PI(18:0/16:1(9Z))	1	1	1	1	1	1	1
Picrasin A	1	1	1	1	1	1	1
Pikromycin +1.9025	1	1	1	1	1	1	1
Pikromycin +3.2605	1	1	1	1	1	1	1
Pinnasterol	1	1	1	1	1	1	1
PIP(20:1(11Z)/18:2(9Z,12Z))	1	7126	1	1	1	1	1
Piperideine	1	37139	1	1	1	1	1
Platydesmine	1	1	1	1	12474	1	1
Pleurostyline	1	1	1	1	1	1	1
Polygonolide +1.253	1	1	1	1	1	17009	1
Populin	1	1	1	1	1	1	1
Practolol	1	1	1	1	1	1	1
pregnan-21-ol	1	1	1	1	1	1	1
Pro Gly Ile	1	1	1	1	1	1	1
Pro His Glu	1	1	1	1	1	1	1
Pro Phe Tyr	1	1	1	1	1	1	1
Pro Val Val	1	1	1	1	1	1	1
Proacacipetalin	1	1	1	1	1	1	1
Prohydrojasmon	1	1	1	1	1	1	1
Propicillan	14352	1	1	1	1	1	1
Propiomazine	1	1	1	1	1	1	1
Propoxur +1.4725001	1	1	1	1	1	1	1
Propoxur +1.7019999	1	1	1	1	1	1	1
Prosafrinine	1	1	1	1	1	1	1
Prosopinine +1.1194999	1	1	1	1	1	1	1
Prostaglandin D2-biotin	1	1	1	1	1	1	1
Prostaglandin E2-biotin	1	1	1	1	1	1	1
Prothiocarb	1	1	1	1	1	1	1
PS(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1	1	1	1	1	1	1
PtdIns-(1,2-dihexanoyl)	1	1	1	1	1	1	1
Pyridostigmine	1	1	1	1	1	1	1
Quinamide Isopropylidene	1	1	1	1	1	1	1
QX-314	1	1	1	1	5045	1	1
Reduced 2,6-Dichlorophenolindophenol	1	1	1	1	1	1	1
Remikiren +4.8105	1	1	1	1	1	1	1
Retinyl glucuronide	1	1	1	1	1	1	1
Retinyl glucuronide +2.5349998	1	1	1	1	1	1	1
Retinyl glucuronide +3.2575002	1	1	1	1	1	1	1
Rifamycin	1	32675	1	1	1	1	1
Rilmenidine	1	1	17500	1	1	1	1
Rishitin	1	1	1	1	1	1	1
Rivastigmine	118987	1	1	1	1	1	1
Rosmarinine	1	7285	1	1	1	1	1
Samandarine	1	1	1	1	1	1	1
SB 200646	1	9080	1	1	1	1	1
Scarlet Red	1	1	1	1	1	1	1
Scopolamine	1	1	24030	1	1	1	1
Scopolamine N-oxide	1	1	1	1	1	1	9850
Scorpioidin	6461	1	1	1	1	1	1
Secnidazole +3.6115	1	1	1	1	1	1	1
sec-o-Glucosylhamaudol	1	24235	1	1	1	1	1
Ser His His	1	16003	1	1	1	1	1
Ser Ser Ser	1	1	1	1	1	1	13326
Ser-Gly-OH	1	1	1	1	1	1	71030
Serratanidine	1	1	1	1	1	1	1
Serratine	13051	1	1	1	1	1	1
Simvastatin-6'-carboxylic acid	1	1	1	1	15476	1	1
Slaframine	1	1	20836	1	1	1	1
Songorine	1	1	1	1	1	1	1
Sotalol	1	1	1	1	1	1	26713
Sphaerodiene	1	1	1	1	1	1	1
Spiperone	1	1	1	1	1	1	1
Spisulosine	1	1	1	1	1	1	1
Spongipregnoloside D	1	47773	1	1	1	1	1
stigmast-25-en-3?-ol +1.4	1	1	1	1	1	1	1
Strophanthidin Semicarbazide	1	1	1	1	1	1	1
SU 5416	1	1	1	1	1	1	1
Suxibuzone	1	1	1	1	1	1	7229
Tecomine	1	1	1	1	1	1	1
Tecostanine	1	1	1	1	1	1	1
Telithromycin	1	7788	1	1	1	1	1
Tenuazonic acid	1	1	1	1	1	1	1
Terbucarb	8049586	1	1	1	1	1	1
Testosterone phenylpropionate	1	1	20447	1	1	1	1
Tetradecylamine +4.2875004	1	1	20737	1	1	1	1
Tetranor-PGEM-d6	1	1	1	1	1	1	8404
Tetranor-PGF1alpha +4.7539997	1	1	1	1	1	1	1
TG(10:0/10:0/10:0)	1	1	1	1	1	1	1
Thapsigargin	1	1	1	1	7644	1	1
Thiothixene	1	1	1	1	16591	1	1
Thr Gly Ser	1	1	1	1	1	1	35415
Thr Gly Ser +7.7	1	1	1	1	1	1	26309
Thr Ile	1	8605	1	1	1	1	1
Tolnaftate	1	1	1	1	1	1	34029
Toluene +1.144	1	1	17858	32210	1	1	1
Totarol-19-Carboxylic Acid +1.8885	1	1	1	1	1	1	1
Toxoflavine	1	1	1	1	1	1	1
Trandolaprilat	1	1	1	1	1	1	19922
Triazamate	1	1	1	1	1	1	35374
Triazamate +8.6145	1	1	1	1	1	1	117295
Tricaine +7.3739996	1	1	1	1	1	1	1
Trichostatin A +6.1394997	1	1	1	1	1	1	1
Trichothecin	1	1	1	1	13911	1	1
Tridesacetoxykhivorin	1	1	1	1	1	1	1
Trillenogenin	1	1	1	1	1	1	1
Trimedlure	1	1	1	1	1	1	1
Triprolidine	1	1	1	1	1	1	1
Troglitazone sulfate +1.0325	1	1	1	1	1	1	1
Tromethamine +6.3055	1	1	1	1	1	1	1
Trp Trp	1	1	1	1	1	1	1
Trp Val Pro	1	283390	1	1	1	1	1
Tuliposide A	1	1	1	1	1	1	26252
Tumonoic Acid D	1	1	1	1	1	1	1
Tussilagine	1	1	1	1	1	1	1
Tyr Leu Val	1	1	1	1	1	1	1
Tyr Met Glu +6.5425	1	1	1	1	1	1	13084
Tyr Tyr	1	1	1	1	1	1	1
Tyr Tyr Lys	1	1	1	1	1	1	1
Tyramine-O-sulfate	1	9809	1	1	1	1	1
Ubisemiquinone	1	1	1	1	1	1	13569
Val Arg Cys	1	1	1	1	1	1	1
Val Arg Val	1	1	1	1	1	1	1
Val Gly Val	1	1	1	1	1	1	1
Val His Lys	1	1	1	1	1	1	1
Val Phe Val	1	1	1	1	1	1	30991
Val Phe Val +2.0945	1	1	1	1	1	1	26071
Verapamil	1	1	1305822	1	1	1	1
VPGPR Enterostatin +8.0585	1	1	1	1	1	1	1
W123 +4.6785	1	1	12942	1	1	1	1
W123 +7.462	29483	1	1	1	1	1	1
W123 +7.5655003	8427	1	1	1	1	1	1
Westiellamide	6753	1	1	1	1	1	1
Zalcitabine	1	1	1	1	1	1	1
Zaprinast +6.545	1	1	1	1	1	1	30640
Z-Arg-Arg-NHMec	1	1	1	1	1	1	1
Zinnolide +6.583	1	1	1	1	1	1	1
Zolpidem Metabolite II	1	1	1	115424	1	1	1
(-)-Fusicoplagin A	1	1	1	1	1	1	1
(-)-Hygroline +5.039	1	1	1	1	1	1	1
(-)-Sedamine	1	1	1	1	1	1	1
(+)-Atherospermoline	1	1	1	1	1	1	1
(+)-Serradiol	1	1	1	1	6517	1	1
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol +4.696	1	1	1	1	1	1	1
(±)8-gingerol +1.158	1	1	1	1	1	1	1
(±)-Ibuprofen +1.336	1	1	1	1	1	1	1
(10S)-Juvenile hormone III acid diol +1.689	1	1	1	1	1	1	1
(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester	1	1	1	1	1	1	1
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid +1.657	1	1	1	1	1	1	1
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid +4.813	1	1	1	1	1	1	1
(1S,2S)-3-oxo-2-pentyl-cyclopentanehexanoic acid	1	1	1	1	1	1	1
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +1.34	1	1	1	1	1	1	1
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-27-oyl taurine	1	1	1	1	1	1	1
(3Z)-Phytochromobilin +1.17	1	1	1	1	1	1	5327
(4OH,8Z,t18:1) sphingosine +1.29	1	1	1	1	1	1	1
(R)-(+)-2-Pyrrolidone-5-carboxylic acid	1	1	1	1	1	1	1
(R,S)-Nicotine	1	1	1	1	1	1	1
(S)-(-)-1,1'-Bi-2-naphthol	1	1	1	1	1	1	1
(S)-Piperidine-2-carboxamide +9.334	1	1	1	1	1	1	1
?-3 Arachidonic Acid ethyl ester	1	1	1	1	1	1	1
?-Alanyl-L-arginine	1	1	1	1	1	1	1
?-Glutamyl-?-aminobutyraldehyde	1	1	1	1	1	1	1
?-Glutamyl-?-aminobutyraldehyde +3.302	1	1	1	1	1	1	1
?-PHENYL-gamma-Aminobutyric Acid +1.473	1	1	1	1	1	1	1
?-vinyl acrylic acid	1	1	1	1	1	1	1
1-(3-Aminopropyl)-4-aminobutanal +2.719	1	1	1	1	1	1	1
1-(5-Hydroxy-2-pyrimidinyl)piperazine +2.067	1	1	1	1	1	1	1
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide +2.863	1	1	1	1	1	1	1
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide +3.215	1	1	1	1	1	1	1
1,1,2-Triphenylpropane +1.262	8738	1	1	1	1	1	1
1,1-Bis(4-hydroxyphenyl)ethane	1	1	1	1	1	1	1
1,1-Diphenyl-2-(4-methoxyphenyl)propene +6.267	1	1	1	1	1	1	1
1,2,3,4-Tetrahydro-2-[(isopropylamino)methyl]-7-nitro-6-quinolinecarboxylic acid	1	1	1	1	1	1	6341
1,2-Epoxybutane	1	1	1	1	1	1	1
1,2-Epoxybutane +1.281	1	1	1	1	10525	1	1
1,3,5-Trimethoxybenzene	1	1	1	5570	1	1	1
1,7-Dihydroxytacrine	1	1	1	1	1	1	5841
1,8-Diazacyclotetradecane-2,9-dione +5.534	1	1	1	1	1	1	1
1?,3?,4?-p-menthane-3,8-diol	1	1	1	1	1	1	1
10-[3]-ladderane-decanoic acid	1	1	1	1	1	1	1
1001.2779@1.008	1	1	1	1	1	1	1
1003.2756@1.011	1	1	1	1	1	1	1
1027.0562@1.08	1	5413	1	1	1	1	1
1053.2872@1.176	1	1	1	1	1	1	1
1058.2789@1.035	1	1	1	1	1	1	1
1072.2983@1.006	1	1	1	1	6559	1	1
10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid +1.1	1	1	1	1	1	1	1
10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid +1.513	1	1	1	1	1	1	1
10-keto stearic acid +1.135	1	1	1	1	1	1	1
10-nitro-9E-octadecenoic acid	1	1	1	1	1	1	1
11(S)-HEPE +1.099	1	1	1	1	1	1	1
113.12@5.499	1	1	1	1	1	1	1
1132.2731@1.008	1	1	1	1	1	1	1
1133.2693@1.007	1	1	1	1	1	1	1
1146.3192@1.007	1	1	6419	1	1	1	1
1149.3143@1.007	1	1	1	1	1	1	1
115.0705@6.058	1	1	1	1	1	1	1
1150.3134@1.006	1	1	1	1	1	1	1
11-acetoxy-3beta,6alpha-dihydroxy-24-methyl-9,11-seco-5alpha-cholesta-7,24(28)-dien-9-one	1	1	1	1	1	1	1
11E,13-Tetradecadienyl acetate	1	1	1	1	1	1	1
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid	1	1	1	1	1	1	1
11-Ketoetiocholanolone +1.17	1	1	1	1	1	1	1
11-Ketoetiocholanolone +1.264	1	1	1	1	1	1	1
11-lauroleic acid +1.42	1	9173	1	1	1	1	1
12?-Hydroxy-3,6-dioxo-5?-cholan-24-oic Acid	1	1	1	1	1	1	1
1210.8988@1.105	1	1	1	1	1	1	1
1211.8973@1.105	1	1	1	1	1	1	1
123.0174@7.352	1	1	1	1	1	1	1
1241.7944@1.001	1	5218	1	1	1	1	1
1245.7539@5.673	1	1	1	1	1	1	1
1277.3217@1.041	1	1	1	1	1	1	1
1277.3423@1.288	1	1	1	1	1	1	1
1295.353@1.013	1	1	1	1	1	1	1
1297.3525@1.012	1	1	1	1	1	1	1
12-methyl-10-oxo-tridecanoic acid	1	1	1	1	1	1	1
12R-HETrE	1	5222	1	1	1	1	1
12S-acetoxy-punaglandin 5 +1.088	1	1	1	1	1	1	1
12S-acetoxy-punaglandin 5 +1.128	1	1	1	1	1	1	1
131.0945@4.845	1	1	1	1	1	1	1
134.1134@4.946	1	1	1	1	1	1	1
134.1136@5.718	1	1	1	1	1	1	1
1347.7356@5.705	1	1	1	1	1	1	1
1351.3395@1.067	1	1	1	1	1	1	1
1353.3618@1.332	1	1	1	1	1	1	1
1370.3707@1.022	1	1	1	1	1	1	1
1395.7415@5.699	1	1	1	1	1	1	1
13-Deoxytedanolide +1.468	1	1	1	1	1	1	1
13-Deoxytedanolide +1.72	1	1	1	1	1	1	1
1400W	1	1	1	1	1	1	1
142.9516@6.887	1	1	1	1	1	1	1
143.1125@5.098	1	1	1	1	1	1	1
1442.3931@1.036	1	1	1	1	1	1	1
149.1234@7.708	1	1	1	1	1	1	1
14R-hydroxy-11Z-eicosenoic acid	1	1	1	1	1	1	1
1516.41@1.063	1	1	1	1	1	1	1
152.1231@1.426	1	1	1	1	1	1	1
155.1383@5.681	7062	1	1	1	1	1	1
15-epi-15-A2c-IsoP	1	1	1	1	1	1	1
15-HETE-G	1	1	1	1	1	1	1
15-oxo-18Z-tetracosenoic acid	1	1	1	1	1	1	1
15-Oxo-5?-cholan-24-oic Acid +1.051	1	1	1	1	1	1	1
15R-PGE2 methyl ester, 15-acetate	1	1	1	1	1	1	1
16,16-dimethyl Prostaglandin E2 p-(p-acetamidobenzamido) phenyl ester	1	1	1	1	1	1	1
161.1611@9.131	1	1	1	1	1	1	1
17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione	1	1	1	1	1	1	1
178.1038@6.612	1	1	1	1	1	1	1
17beta-Hydroxy-2-oxa-5alpha-androstan-3-one +1.125	1	1	1	1	1	1	1
17beta-Methylestra-1,3,5(10)-trien-3-ol +7.948	1	1	1	1	1	1	1
17beta-Pyrazol-3-ylandrost-5-en-3beta-ol	1	1	1	1	1	1	1
17-hydroxyandrostane-3-glucuronide	1	1	1	1	1	1	1
17-oxo-20Z-hexacosenoic acid	1	1	1	1	1	1	1
181.1029@2.787	1	1	1	1	1	1	1
185.9734@7.173	1	6739	1	1	1	1	1
185.9737@7.53	1	1	1	1	1	1	1
187.0798@3.261	1	1	1	1	1	1	1
19(R)-hydroxy-PGB2	1	5036	1	1	1	1	1
19-oxo-22Z-octacosenoic acid	1	1	1	1	1	1	1
1-Aminocyclohexanecarboxylic acid +6.065	1	1	1	1	1	1	1
1-Aminocyclohexanecarboxylic acid +7.973	1	1	1	1	1	1	1
1-Benzyl-1,2,3,4-tetrahydroisoquinoline	1	1	1	1	1	1	1
1-Hexen-1-ol	1	1	1	1	1	1	1
1H-Indole-3-acetic acid, 5-[[(methylamino)sulfonyl]methyl]- glucuronide	1	1	1	1	1	1	1
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide +6.515	1	1	1	1	1	1	1
1-Methylhypoxanthine +2.587	1	1	1	1	1	1	1
1-Methylhypoxanthine +2.74	1	1	1	1	1	1	1
1-Naphthylamine +1.528	1	1	1	1	1	1	1
1-NBD-decanoyl-2-decanoyl-sn-Glycerol +3.287	1	1	1	1	1	1	1
1-Nitro-5,6-dihydroxy-dihydronaphthalene	1	1	1	1	1	1	1
1-Nitro-5,6-dihydroxy-dihydronaphthalene +2.098	1	1	1	1	1	1	1
1-O-[2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl]-D-myo-Inositol	1	1	1	1	1	1	1
1-O-alpha-D-glucopyranosyl-1,2-eicosandiol	1	1	1	1	1	1	1
1-Phenylbiguanide +6.426	1	1	1	1	1	1	1
1-Pyrroline +5.592	1	1	1	1	1	1	1
2-(1-Aziridinyl)ethanol +5.599	1	1	1	1	1	1	1
2-(beta-D-Glucosyl)-sn-glycerol +3.324	1	1	1	1	1	1	1
2-(diethylamino)-4'-hydroxy-Propiophenone	1	1	1	1	1	1	1
2,3,5-Trimethacarb +6.914	1	1	1	1	1	1	1
2,3-Dihydroxynaphthalene +1.494	1	1	1	1	1	1	1
2,3-Diketo-13,14-dihydro-PGF1a	1	1	1	1	1	1	1
2,3-dinor Thromboxane B1 +1.07	1	1	1	1	1	1	1
2,4,7-tridecatrienal +1.107	1	1	1	1	1	1	1
2,4,7-tridecatrienal +1.464	1	1	1	1	1	1	1
2,4-heptadienal	1	1	1	1	1	6741	1
2,4-octadienal	1	1	1	1	1	1	1
2,5-undecadienal	1	1	1	1	1	1	1
2,5-undecadienal +6.441	1	1	1	1	1	1	1
2,6-Diamino-4-nitrotoluene +4.256	1	1	1	1	1	1	1
2,6-Dimethoxyphenol	1	1	1	1	1	1	1
208.1105@1.113	1	1	1	18142	1	1	1
20-HETE-d6	1	1	1	8695	1	1	1
215.0997@2.766	1	1	1	1	1	1	1
231.1485@6.602	1	1	1	1	1	1	1
235.1428@6.762	1	1	1	1	1	1	1
238.1474@1.508	1	1	1	1	1	1	1
24,24-difluoro-1?,25-dihydroxyvitamin D3 / 24,24-difluoro-1?,25-dihydroxycholecalciferol	1	1	1	1	1	1	1
244.2129@1.273	1	1	1	1	1	1	1
247.1517@1.14	5564	1	1	1	1	1	1
26-Hydroxybrassinolide +1.102	1	1	1	11689	1	1	1
26-Hydroxybrassinolide +1.263	1	1	1	1	1	1	1
271.2262@6.196	1	1	1	1	5149	1	1
27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol +1.2	1	1	1	1	1	1	1
27-Norcholestanehexol +1.256	1	1	1	1	1	1	1
283.324@4.275	1	1	1	1	1	1	1
289.1706@1.564	1	1	1	1	1	1	1
289.1889@1.64	1	8381	1	1	1	1	1
2alpha,7beta,15beta,18-tetraacetoxy-cholest-5-en-3alpha-ol	1	1	1	1	1	1	1
2alpha-Methylpregn-4-ene-3,20-dione	1	1	1	1	1	1	1
2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid	1	1	1	1	1	1	1
2-Amino-3-methyl-1-butanol +5.621	1	1	1	1	1	1	1
2-amino-4-cyano-butanoic acid	1	1	1	1	1	1	1
2-amino-4'-hydroxy-Propiophenone	1	1	1	1	1	1	1
2-amino-4'-hydroxy-Propiophenone +2.133	1	1	1	1	1	1	18767
2-Amino-4-oxo-6-(erythro-1,2,3-trihydroxyprolyl)-7,8-dihydroxypteridine triphosphate +7.869	1	1	1	1	1	1	1
2-amino-tetradecanoic acid	1	1	1	1	1	1	1
2-amino-tetradecanoic acid +4.135	1	1	1	1	1	1	1
2-Benzimidazolylguanidine +7.707	1	1	1	1	1	1	1
2-Chloro-1,4-naphthoquinone	1	1	1	1	1	1	1
2-Dehydro-3-deoxy-L-rhamnonate	1	1	1	1	1	1	1
2-Deoxy-2-dimethylamino-alpha-D-Glucose	1	1	1	1	1	1	9779
2-Ethyl-2-methyl-3-hydroxysuccinimide +2.755	1	1	1	1	1	1	1
2H-Benzo[5,6]cyclohepta[1,2-b]pyridin-2-one, 8-chloro-1,5,6,11-tetrahydro-11-(4-piperidinylidene)-	1	1	1	1	1	1	1
2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone +2.398	1	1	1	1	1	1	1
2-hydroxy-4- (methylthio) butyric acid +3.388	1	1	1	1	1	1	1
2-Imino-4-methylpiperidine +4.792	1	1	5995	1	1	1	1
2-methyl-3-Pyrimidin-2-yl-Propionic Acid	1	1	1	1	1	1	1
2-methylbutanal oxime	1	10343	1	1	1	1	1
2-methyl-tridecanedioic acid +1.652	1	1	1	1	1	1	1
2-Oxo-6-methylthiohexanoic acid	1	1	1	1	1	1	1
2-oxo-docosanoic acid +4.595	1	1	1	1	1	1	1
2-oxo-dodecanoic acid +1.218	1	1	1	1	1	1	1
2R-aminoheptanoic acid +1.449	1	1	1	1	1	1	1
2-Succinylbenzoate	1	1	1	1	1	1	1
3-(6'-Methylthio)hexylmalic acid +1.595	1	1	1	1	1	1	1
3,3-Difluoro-5alpha-androstan-17beta-yl acetate	1	1	1	1	1	1	1
3,4,5-Trimethoxytoluene +2.46	1	1	1	1	1	1	1
3,4-Dihydrospheroidenone	1	1	1	1	1	1	1
3,4-Dihydroxy-3,4-dihydro-9-fluorenone	1	1	1	1	1	1	1
3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate +1.228	1	1	1	1	1	1	1
3,5-dichlorosalicylic acid	1	1	1	1	1	1	1
3,6-Dideoxy-L-galactose	1	1	1	1	1	1	1
3,6-dioxo-decanoic acid +1.368	1	1	1	1	1	1	1
3,7,23-Trioxo-5?-cholan-24-oic Acid	1	1	1	1	1	1	1
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.137	1	1	1	1	1	1	1
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.527	1	1	1	1	1	1	1
3?,12?-Dihydroxy-7-oxo-5?-cholestan-26-oic acid +1.326	1	1	1	1	1	1	1
3?,6?,7?,12?-Tetrahydroxy-5?-cholan-24-oic Acid +1.187	1	1	1	1	1	1	1
3?,6?,7?,12?-Tetrahydroxy-5?-cholan-24-oic Acid +4.138	1	1	1	1	1	1	1
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +1.478	1	1	1	1	1	1	1
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +1.518	1	1	1	1	1	1	1
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid +1.239	1	1	1	1	1	1	1
3?-Hydroxy-5?-chol-7-en-24-oic Acid	1	1	1	1	1	1	1
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.246	1	1	1	1	1	1	1
302.1273@1.577	1	1	1	1	1	1	1
311.3548@4.219	1	1	1	1	1	1	1
329.2542@1.082	1	1	1	1	1	1	1
331.1064@1.439	1	1	1	1	1	1	1
331.9547@1.22	1	1	1	8251	1	1	1
333.2166@1.075	1	1	1	1	1	1	1
335.0071@2.902	1	1	1	1	1	1	1
336.877@2.163	1	1	1	1	1	1	1
343.2212@1.071	1	1	1	1	1	1	1
360.2317@1.232	1	1	1	1	1	1	1
363.1699@1.264	1	1	1	1	1	1	1
384.3714@5.067	1	1	1	1	1	1	1
385.3271@1.091	1	1	1	1	1	1	1
3-alpha,20-alpha-dihydroxy-5-beta-pregnane 3-glucuronide +6.516	1	1	1	1	1	1	1
3alpha,7alpha,12alpha-Trihydroxy-5beta-23E-cholestan-26-oic acid +1.339	1	1	1	1	1	1	1
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide +2.199	1	1	1	1	1	1	1
3-Amino-4-hydroxybenzoic acid	1	1	1	1	1	1	1
3-Aminoquinoline	1	8151	1	1	1	1	1
3beta-Acetoxy-4-oplopanone	1	1	1	1	1	1	1
3-Buten-1-amine +5.163	1	1	1	1	1	1	1
3-Epimacronine	1	9682	1	1	1	1	1
3-Hydroxy-1-indanone +1.078	1	1	1	1	1	1	1
3-hydroxy-dodecanedioic acid +1.497	1	1	1	1	1	1	1
3-Hydroxyisovalerylcarnitine +1.212	1	1	1	1	1	1	1
3-Methoxyestra-1,3,5(10),16-tetraene +1.501	1	1	1	1	1	1	18908
3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol	1	1	1	1	1	1	1
3-Methylbutanamine +4.68	1	1	1	1	1	1	1
3-Methyluridine	1	1	1	1	1	1	1
3-O-Methylisoetharine	1	5242	1	1	1	1	1
3-O-Methylrimiterol +6.508	1	1	1	1	1	1	1
3-oxohexacosanoic acid	1	5106	1	1	1	1	1
3-oxo-nonanoic acid +6.269	1	1	1	1	1	1	1
3R-hydroxy-tetradecanoic acid +1.247	1	9616	1	1	1	1	1
4-(dimethylamino)cinnamaldehyde	1	1	1	1	1	1	1
4-(dimethylamino)cinnamaldehyde +4.675	1	1	1	1	1	1	1
4-(Hydroxylamino)-N,N-dimethylaniline	1	1	1	1	1	1	1
4,4'-(Diphenylethenylidene)bis[N,N-dimethylbenzenamine]	1	1	1	1	1	1	1
4,4'-Sulfonyldiphenol	1	1	1	1	1	1	1
4,5'-Dimethylangelicin	1	1	1	1	1	1	1
4,5'-Dimethylangelicin +3.153	1	1	1	1	1	1	1
4,7,10,13,16,19-Docosahexaynoic acid	1	1	1	1	1	1	1
428.2357@1.239	1	1	1	1	1	1	1
428.3081@1.249	1	1	1	1	1	1	1
432.7326@5.796	1	1	1	1	1	1	1
435.2141@1.434	1	1	1	1	1	1	1
442.7669@5.706	1	1	1	1	1	1	1
449.3015@1.175	1	1	1	1	1	1	1
451.3874@1.205	1	5368	1	1	1	1	1
464.7769@6.265	1	1	1	1	1	1	1
473.3193@2.757	1	1	1	1	1	1	1
473.7853@6.099	1	1	1	1	1	1	1
480.1931@1.396	1	1	1	1	1	1	6782
488.8091@6.25	1	1	1	1	1	1	1
495.7987@6.232	1	1	1	1	1	1	1
495.7988@6.314	1	1	1	1	1	1	1
495.7988@6.359	1	1	1	1	1	1	1
496.8064@6.499	1	1	1	1	1	1	1
497.3777@1.086	1	1	1	1	1	1	1
4-Amino-2-hydroxylamino-6-nitrotoluene	1	1	6847	1	1	1	1
4-Amino-2-nitrotoluene +2.524	1	1	1	1	1	1	1
4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline	1	1	1	1	1	1	1
4-Aminomethylindole +1.809	1	1	1	1	1	1	1
4-Aminomethylindole +2.752	1	1	1	1	1	1	1
4-Aminomethylindole +6.156	1	1	1	1	1	1	1
4-Chloro-N1-methyl-N1-(4-carboxy-2-hydroxy-2-methylbutyl)-m-benzenedisulfonamide	1	1	1	1	1	1	1
4E-Tridecenyl acetate	1	1	1	1	1	1	1
4-Heptyloxyphenol +1.33	1	1	1	1	1	1	1
4-Heptyloxyphenol +8.057	1	1	1	1	1	1	1
4-Hydroxy-2-quinolone +1.877	1	1	1	1	1	1	1
4-Hydroxy-2-quinolone +2.329	1	1	1	1	1	1	1
4-Hydroxy-2-quinolone +2.372	1	1	1	1	1	1	1
4-Hydroxyfurano[2'',3'':6,7]aurone	1	1	1	1	1	1	1
4-Hydroxyphenylretinamide	1	1	1	6931	1	1	1
4-Methylaminobutyrate +6.603	1	1	1	1	1	1	1
4-Methylhistamine +7.272	1	24835	1	1	1	1	1
4-Naphthalimidobutyric Acid	1	1	1	1	1	1	1
4-Nitroestrone	1	1	1	1	1	1	1
4-Nitrotoluene +1.788	1	1	1	1	1	1	1
4-octenal +1.145	1	1	1	1	1	1	1
4-Oxo-1-(3-pyridyl)-1-butanone +2.414	1	1	1	1	1	1	9358
4-Oxo-1-(3-pyridyl)-1-butanone +3.581	1	1	1	1	1	1	12288
4-PIOL +7.914	1	1	1	1	1	1	1
4S,5S-antillatoxin A	1	1	1	1	1	1	1
4-Sulfobenzyl alcohol	1	1	1	1	1	1	1
4-Vinylcyclohexene +1.104	1	1	1	1	1	1	1
5?-Cholane-3?,6?,24-triol	1	1	1	1	1	1	1
5?-Cholestane-3?,7?,25,26-tetrol	1	1	1	1	1	1	1
5?-Cyprinolsulfate +1.353	1	1	1	1	1	1	1
510.8217@6.364	1	1	1	1	1	1	1
517.8113@6.493	1	1	1	1	1	1	1
518.8195@6.624	1	1	1	1	1	1	1
520.8222@3.571	1	1	1	1	1	1	1
522.0928@1.077	1	1	1	1	1	1	1
525.4318@1.048	1	17877	1	1	1	1	1
534.3935@4.102	1	1	1	1	1	1	1
535.605@3.609	1	1	1	1	1	1	1
538.3522@1.478	1	1	1	1	1	1	1
539.825@6.578	1	1	1	1	1	1	1
54:3 SLBPA	1	1	1	10224	1	1	1
540.8325@6.736	1	1	1	1	1	1	1
541.2786@1.756	1	1	1	1	1	1	6857
541.6642@7.762	1	1	1	1	1	1	1
542.8348@3.804	1	1	1	1	1	1	1
546.3208@1.501	1	1	1	1	1	1	1
548.3367@1.386	1	1	1	1	1	1	1
562.1567@1.024	1	1	1	1	1	1	1
562.8457@6.842	1	1	1	1	1	1	1
574.8359@6.771	1	1	1	1	1	1	1
585.6899@8.033	1	1	1	1	1	1	1
585.6902@7.971	1	1	1	1	1	1	1
5-Acetamidovalerate +1.913	1	1	1	1	1	1	1
5'-Deoxy-5'-fluoroadenosine	1	1	1	1	1	1	1
5-Hydroxy-3,4-dihydrocarbostyryl +1.246	1	1	1	1	1	1	1
5-Hydroxy-3,4-dihydrocarbostyryl +2.95	1	1	1	1	1	1	1
5-Hydroxybuspirone	1	1	1	1	1	1	1
5-Hydroxydopamine +2.564	1	1	1	1	1	1	1
5-Hydroxyectoine +7.287	1	1	1	21859	1	1	1
5-Hydroxyectoine +7.736	1	1	1	1	1	1	5953
5Z,9Z-hexadecadienoic acid	1	1	1	1	1	1	1
6-(Allylthio)purine	1	1	1	1	1	1	1
6-(alpha-D-Glucosaminyl)-1D-myo-inositol +3.233	1	1	1	16771	1	1	1
6,7-Dichloro-3-Hydroxy-2-Quinoxalinecarboxylic Acid +2.924	1	1	1	1	1	1	1
6,7-Dimethyltetrahydropterin	10068	1	1	1	1	1	1
6-[5]-ladderane-1-hexanol	1	1	1	1	1	1	1
614.7061@8.508	1	1	1	1	1	1	1
614.7067@8.19	1	1	1	1	1	1	1
620.7107@8.536	1	1	1	1	1	1	1
634.8716@5.694	1	1	1	1	1	1	1
635.3016@3.52	1	1	1	1	1	1	5476
636.3147@3.749	1	1	1	1	1	1	1
636.3149@3.594	1	1	1	1	1	1	1
671.9036@7.392	1	1	1	1	1	1	1
672.195@1.031	1	1	1	1	1	1	1
698.2477@1.016	1	1	1	1	1	1	1
6alpha-Fluoro-17-hydroxypregn-4-ene-3,20-dione acetate	1	1	1	1	1	1	1
6-Benzylaminopurine +6.399	1	1	1	1	1	1	1
6-Benzylaminopurine +6.44	1	1	1	1	1	1	1
6-bromo-5,9-hexacosadienoic acid +4.328	1	1	1	1	1	1	1
6-Dimethylaminopurine	1	1	1	1	1	1	1
6-Methylpretetramide	1	1	1	1	1	1	1
6-nonenal +1.763	1	1	1	1	1	1	1
6-Oxocineole +1.415	1	1	1	1	1	1	1
6-piperazin-1-yl-Isoquinoline +8.097	1	1	1	1	1	1	1
7-(3-Methylbut-2-enyl)-L-tryptophan	1	1	1	1	1	1	1
7-(3-Methylbut-2-enyl)-L-tryptophan +2.097	1	1	1	1	1	1	11931
7,8-Diaminononanoate +6.031	1	1	1	1	1	1	1
702.2072@1.026	1	1	1	1	1	1	1
723.7718@9.054	1	1	1	1	1	1	1
726.1389@1.026	1	1	1	1	1	1	1
751.6322@1.019	6179	1	1	1	1	1	1
765.6733@1.035	1	1	1	1	1	1	1
794.6806@1.023	1	6588	1	1	1	1	1
7alpha-Hydroxytestololactone +1.532	1	1	1	1	6037	1	1
7alpha-Hydroxytestololactone +6.308	1	1	1	1	1	1	1
7H-Dibenzo[c,g]carbazole	1	1	1	1	1	1	1
7-Hydroxytacrine	1	1	1	1	1	1	1
7-Mercaptoheptanoylthreonine	1	1	1	1	6008	1	1
7-nonynoic acid +1.342	1	1	1	1	1	1	1
7Z,10Z,13Z-docosatrienoic acid	1	1	1	1	1	1	1
8-(5-hexyl-furan-2-yl)-octanoic acid +1.164	1	1	1	1	1	1	1
8,9-dihydroxy-5,11,14-eicosatrienoic acid	1	1	1	1	1	1	1
8?-estra-1,3,5(10)-trien-3,17?-diol	1	1	1	1	1	1	1
847.2662@1.015	1	1	1	1	1	1	1
853.234@1.023	1	1	1	11218	1	1	1
883.7471@1.062	1	1	1	1	1	1	1
8-Azaspiro[4.5]decane-8-butanoic acid, 7,9-dioxo(buspirone metabolite) +6.321	1	1	1	1	1	1	1
8-D-Olivosyl-landomycin	1	1	1	1	1	1	1
8-D-Olivosyl-landomycin +5.608	1	1	1	1	1	1	1
8-methoxy-13-hydroxy-9,11-octadecadienoic acid	1	1	1	1	1	1	1
8-methylcaffeine +1.694	1	1	1	1	1	1	1
8-oxo-9,11-octadecadiynoic acid	1	1	1	1	1	1	1
8Z-heptadecenoic acid +1.202	1	1	1	1	1	1	1
8Z-heptadecenoic acid +6.959	1	1	1	1	1	1	1
93.0929@5.756	1	1	1	1	1	1	1
966.4869@1.089	1	5509	1	1	1	1	1
967.199@1.011	1	1	1	1	1	1	1
995.3044@1.01	1	1	1	1	1	1	1
9-amino-nonanoic acid	1	1	1	1	1	1	1
9-amino-nonanoic acid +4.134	1	1	1	1	1	1	1
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid +1.503	1	1	1	1	1	1	1
9-O-Demethyl-2alpha-hydroxyhomolycorine +1.349	1	1	1	1	1	1	1
9-O-Demethyl-2alpha-hydroxyhomolycorine +1.591	1	1	1	1	1	1	1
9Z-Octadecene-12,14-diynoic acid	1	1	1	1	1	1	1
A 80987	1	1	1	1	1	1	1
Acetone cyanohydrin +6.703	1	1	1	1	1	1	29418
Acetyl-11-keto-B-Boswellic Acid, 3-	1	1	1	1	1	1	1
Acetylenic acids	1	1	1	1	1	1	1
Acetylpseudotropine	1	1	1	1	1	1	1
Acrylamide	1	1	1	1	1	1	1
AG-99 +3.261	1	1	1	1	1	1	1
AL 8810 ethyl amide	1	1	1	1	1	1	1
Ala Trp	1	1	1	1	1	1	1
Alanopine	1	1	1	1	1	1	1
alpha-Methylstyrene +1.095	1	1	1	1	1	1	1
alpha-Methylstyrene +7.186	1	1	1	1	1	1	1
Amino acid(Arg-) +6.28	1	1	1	1	1	1	1
aminocaproic acid +6.903	1	1	1	1	1	1	1
Ampicilloic acid	1	1	1	1	1	1	1
AM-toxin I +1.843	1	1	1	1	1	1	1
Anandamide (20:l, n-9)	1	1	1	1	6136	1	1
Anhalonidine +1.574	1	1	1	1	1	1	1
Anhalonidine +2.08	6234	1	1	1	1	1	1
Anhalonidine +6.218	1	1	1	1	1	1	1
anteiso (4E,14-methyl-d16:1) sphingosine	1	1	1	1	1	1	1
anteiso (4E,14-methyl-d16:1) sphingosine +1.075	1	1	1	1	1	1	1
Antibiotic JI-20A	1	1	1	1	1	1	1
Antimony tartrate	1	1	1	1	1	1	1
Arborinine +1.935	1	1	1	1	1	1	1
Arctiopicrin	1	1	1	1	5146	1	1
Arecaidine	1	1	1	1	1	1	1
Arg Gly Cys	1	1	1	1	1	1	1
Arg Leu Arg	1	1	1	1	1	1	1
Arg Leu Ile	1	1	1	1	1	1	1
Arg Phe	1	1	1	1	1	1	1
Arg Pro Arg	1	1	1	1	1	1	1
Arg Pro Gly	1	1	1	1	1	1	1
Asp Ala His	1	1	1	1	1	1	1
Asp Ala His +3.404	9228	1	1	1	1	1	1
Athamantin	1	1	1	1	1	1	1
Atracurium (Quaternary monoacrylate)	1	1	1	1	1	1	1
Atropine	1	1	1	1	1	1	1
Avermectin A1a monosaccharide +1.681	1	1	1	1	1	1	1
Avermectin A1a monosaccharide +1.798	1	1	1	1	1	1	1
Avermectin A2a	1	1	1	1	1	1	1
Axisothiocyanate 3 +7.993	1	1	1	1	1	1	22697
Axisothiocyanate 3 +8.046	1	1	1	1	1	1	33152
Baptifoline	1	1	1	1	1	1	1
Barbital +6.54	1	1	1	1	1	1	1
Barbital +7.186	1	1	1	1	1	1	1
BAY-60-7550	1	1	1	1	1	1	1
Bellendine +6.342	1	1	1	1	1	1	1
Benzoylagmatine +1.195	1	1	1	6836	1	1	1
Benzoylagmatine +9.124	1	1	1	1	1	1	1
Benzphetamine	1	1	1	1	1	1	1
benzylazanium	1	1	1	1	1	1	1
Benzylsuccinate	1	1	1	1	1	1	1
Berbamunine +2.626	1	1	1	1	1	1	9704
Bestatin +3.431	1	1	1	1	1	1	1
beta-D-Gentiobiosyl crocetin	1	1	1	1	1	1	1
Bifenazate +2.0	1	1	1	1	1	1	1
Biopterin	1	1	1	1	1	1	1
Bis(glycerophospho)-glycerol	1	1	1	1	1	1	6337
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe +1.408	1	1	1	1	1	1	5279
butalbital +3.475	1	1	1	1	1	1	1
butalbital +4.157	1	1	1	1	1	1	1
butalbital +6.476	1	1	1	1	15790	1	1
butalbital +6.48	1	1	1	1	1	1	1
Butopyronoxyl +1.1	1	1	1	1	1	1	1
BW 723C86	1	1	1	1	1	1	1
BW 723C86 +6.46	1	1	1	1	1	1	1
C10 Cl N O9 S5	1	1	1	1	1	1	1
C10 H13 N4 O3	1	1	1	1	1	1	1
C10 H17 N5 O3 +2.872	1	1	1	1	1	1	1
C10 H19 N O S	1	1	1	1	1	1	1
C10 H19 N O2 S5	1	1	1	1	1	1	1
C10 H20 N5 O2	1	1	1	1	1	1	1
C10 H22 N7 O S	1	1	1	1	1	1	1
C10 H24 Cl N3 O2 S	1	1	1	1	1	1	1
C10 H24 N4 O S	1	1	1	1	1	1	1
C10 H26 N6 S	1	1	1	1	1	1	1
C11 H10 N4 O	1	1	1	1	1	1	1
C11 H18 N2 O2	1	1	1	1	1	1	1
C11 H18 O3	1	1	1	1	1	1	1
C11 H19 N5	1	1	1	1	1	1	1
C11 H20 N7	1	1	1	1	1	1	1
C11 H23 N4 O2 S2	1	1	1	1	1	1	1
C11 H24 N2 O2	1	1	1	1	1	1	1
C11 H24 N8	1	1	1	1	1	1	1
C11 H32 N14 O	1	1	1	1	1	1	1
C12 H14 N3	1	1	1	1	1	1	1
C12 H14 N6 O	1	1	1	1	1	1	1
C12 H18 N3 O3	1	1	1	1	1	1	1
C12 H23 N7	1	1	1	1	1	1	1
C12 H25 Cl N2	1	1	1	1	1	1	1
C12 H25 N8 O3	1	1	1	1	1	1	1
C12 H27 Cl N S2	1	5037	1	1	1	1	1
C12 H28 N O2 S	1	1	1	1	1	1	1
C13 H N2 O2 S4	1	1	1	1	1	1	1
C13 H18	1	1	1	1	1	1	1
C13 H18 N6 O4	1	1	1	9261	1	1	1
C13 H19 Cl N10	1	1	1	1	1	1	1
C13 H21 N5 O2	1	1	1	1	1	1	1
C13 H22 N2 S	1	1	1	1	1	1	1
C13 H33 N4 O3	1	1	1	1	1	1	1
C14 H20 N8 O8	1	1	1	1	1	1	1
C14 H24 O4	1	1	1	1	1	1	1
C14 H25 O10	1	1	1	1	1	1	1
C14 H29 N O3	1	1	1	1	1	1	1
C14 H29 N2 O2 S	1	1	1	1	1	1	1
C14 H29 N3 O2	1	1	1	1	1	1	1
C14 H29 N4 O3	1	1	1	1	1	1	1
C14 H31 Cl N2	1	1	1	1	1	1	1
C14 H35 N11 O6	1	1	1	1	1	1	1
C15 H17 Cl N	1	1	1	1	1	1	1
C15 H23 N O9	1	1	1	1	1	1	1
C15 H23 N5 O	1	1	1	1	1	1	1
C15 H24 N2 O4	1	1	1	1	1	1	1
C15 H29 N4 O3	1	1	1	1	1	1	7975
C15 H30 Cl N3 O	1	1	1	1	1	1	1
C15 H31 O8	1	1	1	1	1	1	1
C15 H32 N2 O	1	1	1	1	1	1	1
C15 H34 N3 O3 +1.114	1	1	1	1	1	1	1
C16 H15 N3	1	1	1	1	1	1	1
C16 H18	1	1	1	1	1	1	1
C16 H23 Cl N O	1	1	1	1	1	1	1
C16 H27 N3 O2	1	1	1	1	1	1	1
C16 H29 O S	1	1	1	6459	1	1	1
C16 H30 N5	1	1	1	1	1	1	1
C16 H31 N2 O2 +9.27	1	1	1	1	1	1	1
C16 H33 N8	1	1	1	1	1	1	1
C16 H35 N11 O4	1	1	1	1	1	1	1
C16 H42 Cl N9	1	9873	1	1	1	1	1
C16 H42 N15 O7 +7.799	1	1	1	25197	1	1	1
C16 H8 O3	1	1	1	12934	1	1	1
C17 H27 Cl N2 O3 S	1	1	1	1	1	1	1
C17 H3 N3 O6	1	1	1	1	1	1	1
C17 H33 N11	1	1	1	1	1	1	1
C17 H34 N19 O	1	1	1	1	1	1	1
C17 H37 N +4.027	1	1	1	1	7789	1	1
C17 H38 N17 O5	1	1	1	1	1	1	1
C17 H42 Cl N15	1	1	1	6403	1	1	1
C17 H42 Cl2 N9 +1.685	1	1	1	1	1	1	1
C17 H42 N12 O2 S	1	1	1	1	1	1	1
C17 H45 Cl N9 S2	1	1	1	1	1	1	1
C18 H37 N8 O	1	1	1	1	1	1	1
C18 H49 N14 O7 S	1	1	1	1	1	1	1
C18 O19 S2 +6.838	1	1	1	1	1	1	1
C19 H N3 O17 S2	1	1	1	1	1	1	1
C19 H16 O	1	1	1	1	1	1	1
C19 H2 N O22 S +6.928	1	1	1	1	1	1	1
C19 H2 N O22 S +7.27	1	1	1	1	1	1	1
C19 H3 N O22 S	1	1	1	1	1	1	1
C19 H40 Cl N4 O2	1	1	1	1	1	1	1
C19 H41 Cl N O5	1	1	1	1	1	1	1
C19 H46 N5 O11	1	1	1	1	1	1	1
C20 H N O18 S2	41133	1	1	1	1	1	1
C20 H26 Cl O S	1	1	1	1	1	1	1
C20 H28 N O2	1	1	1	1	1	1	1
C20 H35 N6 O3	1	1	1	1	1	1	1
C20 H36 N4 O2	1	1	1	1	1	1	1
C20 H37 N5 O3	1	5076	1	1	1	1	1
C20 H42 O6	1	1	1	1	1	1	1
C20 H44 S2	1	29953	1	1	1	1	1
C20 H47 N4 O4	1	20878	1	1	1	1	1
C20 H50 N10 O11	1	1	1	1	1	1	1
C20 H50 N9 O S	1	1	1	1	1	1	1
C20 H7 N5	1	1	1	1	1	1	7509
C21 H N3 O3	1	1	1	1	1	1	1
C21 H2 O26 S +5.661	1	1	1	1	1	11954	1
C21 H21 N4 O21	1	1	1	1	1	1	1
C21 H41 Cl N4 O6	1	1	1	1	1	1	1
C21 H46 N3 O4 S	1	1	1	1	1	1	1
C21 H48 Cl N5 O5	6142	1	1	1	1	1	1
C21 H49 Cl N7 O4	1	1	1	1	1	1	1
C21 H51 Cl N12 S4	1	1	1	1	1	1	1
C21 H8 Cl N2 O6	1	1	1	1	13873	1	1
C22 H11 N13 O2	1	1	1	1	1	1	1
C22 H24 N3 O22 S	1	1	1	35419	1	1	1
C22 H24 N3 O22 S +2.341	1	1	1	37362	1	1	1
C22 H31 N2 O	1	1	1	1	1	1	1
C22 H37 N15 O3 +4.276	1	1	1	1	1	1	1
C22 H39 N6 O4	1	1	1	1	1	1	1
C22 H4 N3 O24 +7.253	1	1	1	1	1	1	1
C22 H40 O3	1	1	1	1	1	1	1
C22 H44 N24 O3	1	1	1	1	1	1	1
C22 H45 N5 O13 S	1	1	1	1	1	1	19282
C22 H5 N3 O24	1	1	1	1	1	1	1
C22 H52 N4 O14	1	1	1	1	1	1	1
C22 H7 N6 O19	18375	1	1	1	1	1	1
C22 N2 O11	1	1	1	1	1	1	1
C23 H14 N14 O13	1	1	1	1	1	1	1
C23 H15 N7 O19 S	1	1	1	1	1	1	1
C23 H21 N3 O	1	1	1	1	1	1	1
C23 H25 N4 O22	1	1	1	1	1	1	1
C23 H42 O3	1	1	1	1	1	1	1
C23 H44 N3 O2	1	1	1	1	1	1	1
C23 H47 N14	1	1	1	1	1	1	1
C23 H55 N21 O5 S	1	1	1	1	1	1	1
C23 N2 O25 S	1	1	5925	1	1	1	1
C24 H26 N O11	1	1	1	1	1	1	1
C24 H3 N O23	1	1	1	1	1	1	1
C24 H31 O	1	5283	1	1	1	1	1
C24 H32 N15 O3 S4	1	1	1	1	1	1	1
C24 H35 N6	1	1	1	1	1	1	1
C24 H37 N2 O S	1	1	1	1	1	1	1
C24 H37 N6	1	1	1	1	1	1	1
C24 H43 N15 O4	1	1	1	1	1	1	1
C24 H44 O5	1	1	1	1	1	1	1
C25 H18 N4 O2 S5	1	1	1	1	1	1	1
C25 H19 Cl2 N6 S	1	1	1	1	1	1	1
C25 H39 Cl N3	1	1	1	1	1	1	1
C25 H41 N8 O	1	1	1	6422	1	1	1
C25 H43 N8 O2	1	1	1	1	1	1	1
C25 H44 N25	1	1	1	1	1	1	1
C25 H48 N3 O2	1	1	1	1	1	1	1
C25 H51 N8 O2 +1.379	1	9121	1	1	1	1	1
C25 H52 N2 O	1	1	1	1	1	1	1
C26 H30 N11 O	1	1	1	1	1	1	1
C26 H30 N28 O3	1	1	1	1	1	1	1
C26 H32 N8 O3	1	1	1	1	1	1	1
C26 H36 N20 O11	1	1	1	1	1	1	1
C26 H42	1	1	1	1	1	1	1
C26 H44 N7 O14	1	1	1	1	1	1	1
C26 H47 N12	1	7498	1	1	1	1	1
C26 H47 N15 O5	1	1	1	1	1	1	1
C26 H50 Cl N3 O2	1	1	1	1	1	1	1
C27 H2 N3 O9 +7.672	1	1	1	1	1	1	1
C27 H39 N13 O3	1	1	1	1	1	1	1
C27 H39 N21 O S5	1	1	1	1	1	1	1
C27 H4 N6 O9	1	1	1	1	1	1	1
C27 H40 N4 O3	1	1	1	1	1	1	1
C27 H42 N10	1	1	1	1	1	1	1
C27 H44 N10 O	1	1	1	1	1	1	1
C27 H46 N22 O	1	1	1	1	1	1	1
C27 H49 N12 O	1	1	1	1	1	1	1
C27 H55 N4 O2	1	1	1	1	1	1	1
C27 H7 N2 O27	1	7184	1	1	1	1	1
C28 H43 N7 S	1	1	1	1	1	1	1
C28 H46 N16 O16	1	1	1	1	1	1	1
C28 H54 N3 O2	1	1	1	1	1	1	1
C29 H36 Cl3 N O4	1	1	1	1	1	1	1
C29 H42 N8 O3	1	1	1	1	1	1	1
C29 H43 N8 O4	1	1	1	1	1	1	1
C29 H6 N5 O21 +7.496	1	1	1	1	1	1	1
C3 Cl N O3 S3	1	1	1	1	1	1	1
C3 H4 N O	1	1	1	1	1	1	1
C3 H4 N O +2.13	1	1	8355	1	1	1	1
C3 H5 N	1	1	1	1	1	1	1
C3 H6 N O5	1	1	1	1	1	1	1
C3 H6 N O5 +5.655	1	1	1	1	1	1	1
C30 H17 N7 O28	1	1	1	1	1	1	1
C30 H53 N18 O	1	1	1	1	1	1	1
C31 H10 N5 O22	1	1	1	20370	1	1	1
C31 H25 N16 O10	1	1	1	1	1	1	1
C31 H48 N O3	1	1	1	1	1	1	1
C31 H53 N21 O3	1	1	1	1	1	1	1
C31 H54 Cl2 N O8	1	1	1	1	1	1	7099
C31 H64 N23 O	1	1	1	1	1	1	1
C32 H34 Cl N14 O4	1	1	1	1	1	1	1
C32 H36 N11 O2 +3.54	1	1	1	1	1	1	16318
C32 H45 N15 O	1	1	1	1	1	1	1
C33 H16 N16 O2	1	1	1	1	1	1	1
C33 H25 N26 O6 S	1	1	1	1	1	1	1
C33 H25 N27 O7	1	1	1	1	1	1	1
C33 H32 N15	1	1	1	1	1	1	1
C33 H38 N S	1	1	1	1	1	1	1
C33 H38 N S +1.621	1	1	1	1	1	1	1
C33 H42 N8	1	1	1	1	1	1	1
C33 H43 N8 O2	1	1	1	1	1	1	1
C33 H67 N30 O6	1	1	1	1	1	1	1
C34 H22 N2 O5	17866	1	1	1	1	1	1
C34 H25 N22 O2	1	1	1	1	1	1	1
C34 H29 N27 S3	1	1	1	1	1	1	1
C34 H47 N8 O2	1	1	1	1	1	1	1
C34 H51 N4 O7	1	1	1	1	1	1	1
C34 H57 N O11	1	1	1	1	1	1	1
C34 H6 Cl3 O18 S	1	1	1	1	1	1	1
C34 H75 N24 O	1	1	1	1	1	1	1
C35 H44 N6 O3	1	1	1	1	1	1	1
C35 H47 N8 O3	1	1	1	1	1	1	1
C35 H47 N8 O3 +1.387	1	1	1	1	1	1	1
C35 H52 O2 S4	1	1	1	1	1	1	1
C35 H53 N O2 S2	1	1	1	1	1	1	1
C36 H10 N4 O4	1	1	1	1	1	1	1
C36 H25 N17 O9	1	1	1	1	1	1	1
C36 H25 N2 O S3	1	1	1	1	1	1	1
C36 H30 N2 O4	1	1	1	1	1	1	1
C36 H43 N3	1	1	1	1	1	1	1
C36 H63 Cl N2	1	1	1	1	1	1	1
C36 H71 N O4	1	1	1	1	1	1	1
C37 H12 O3	1	1	1	1	1	1	1
C37 H27 N11 O3 S	1	1	1	1	1	1	1
C37 H27 N15 O S2	1	1	1	1	1	1	1
C37 H33 N3 O3	1	1	1	1	1	1	1
C37 H41 N20 O2 S4	1	1	1	1	1	1	1
C37 H67 N30 O4	1	1	1	1	1	1	1
C37 H75 N4 O3	1	1	1	1	1	1	1
C38 H28 Cl N5 O3 S	1	1	1	1	1	1	1
C38 H29 N20 O9	1	1	1	5191	1	1	1
C38 H42 N2 S2	1	1	1	1	1	1	1
C38 H47 N3 O	1	1	1	1	1	1	1
C38 H56 N11 +4.947	1	1	1	1	1	1	1
C38 H67 N21 O4	1	1	1	1	1	1	1
C38 H69 N8 O3	5537	1	1	1	1	1	1
C38 H71 N8 O3	1	5756	1	1	1	1	1
C39 H27 N8 O S2	1	1	1	1	1	1	1
C39 H47 N8 O	1	1	1	1	1	1	1
C39 H52 N27 +1.838	1	1	1	1	1	1	1
C39 H53 N21 O2	1	7444	1	1	1	1	1
C39 H56 N2 O3	1	1	1	5836	1	1	1
C39 H71 N8 O2	1	1	1	1	1	1	1
C4 H12 O4	1	1	1	1	1	1	1
C4 H9 N2 S2	1	1	1	1	1	1	1
C40 H29 N7 O2	1	1	1	1	1	1	1
C40 H45 Cl N3 S	1	1	1	1	1	1	1
C40 H48 N28 O	1	5235	1	1	1	1	1
C40 H51 N3 O2	1	1	1	1	1	1	1
C40 H51 N3 O3 +4.73	1	1	1	1	1	1	1
C40 H71 O12 S	1	1	1	1	1	1	1
C41 H47 N6	1	1	1	1	1	1	1
C41 H59 N22 O	1	1	1	1	1	1	1
C42 H50 N10	1	1	1	1	1	1	1
C42 H55 N3 O3	1	1	1	1	1	1	1
C42 H81 N O4	1	1	1	1	1	1	1
C43 H55 N8 O3	1	1	1	1	1	1	1
C44 H51 N10 O	1	1	1	1	1	1	1
C44 H61 N O8	1	1	1	1	1	1	1
C44 H61 N15 O3	1	1	1	1	1	1	1
C44 H86 N2 O2	1	1	1	1	1	1	1
C44 H94 N13 O2	1	1	1	1	1	1	1
C45 H67 N8 O8	1	1	1	1	1	1	1
C45 H74 N4 O13	1	1	1	1	1	1	1
C45 H94 N O	1	1	1	1	1	1	1
C46 H67 N18 O4	1	1	1	1	1	1	1
C47 H70 N7 O3	1	1	1	1	1	1	1
C47 H70 N7 O3 +1.687	1	1	1	1	1	1	1
C47 H72 N7 O2	1	1	1	1	1	1	1
C47 H73 N8 O3	1	1	1	1	1	1	1
C47 H91 N11	1	1	1	1	1	1	1
C47 H98 N O2	1	1	1	1	1	1	1
C48 H61 N15 O	1	1	1	1	1	1	1
C48 H66 N22 O	1	1	1	1	1	1	1
C48 H94 Cl N3 O2	1	1	1	1	1	1	1
C48 H94 N17 O	1	1	1	1	1	1	1
C48 H95 N O6	1	1	1	1	1	1	1
C49 H67 O2	1	1	1	1	1	1	1
C49 H89 N8 O	1	1	1	1	1	1	1
C5 Cl3 N O S	1	1	1	1	1	1	1
C5 H13 O S	1	1	1	1	1	1	1
C5 H9 N3 O	1	1	1	1	1	1	1
C50 H93 N8 O4	1	1	1	1	1	1	1
C50 H98 Cl N3 O2	1	1	1	1	1	1	1
C51 H55 N11 O3	1	1	1	1	1	1	1
C52 H69 N15 O3	1	1	1	1	1	1	1
C53 H89 N15	1	1	1	1	1	1	1
C54 H102 N10 O3	1	1	1	1	1	1	1
C55 H70 N5 O7 S	1	1	1	1	1	1	1
C56 H89 N O	1	1	1	1	1	1	1
C6 H11 N2	1	1	1	1	1	1	1
C6 H16 N S	1	1	1	1	1	1	1
C6 H18 N5 O2	1	1	1	1	1	1	1
C6 H4 O S	1	1	1	1	1	1	1
C7 H13 N	1	1	1	1	1	1	1
C7 H13 N5	1	1	1	1	1	1	1
C7 H14 N2 O	1	1	1	1	1	1	1
C7 H15 Cl N3 S3	1	1	1	1	19808	1	1
C7 H19 N8 O2	1	1	1	20537	1	1	1
C7 H2 Cl3 N2 O2 S2	1	1	5373	1	1	1	1
C7 H20 N5 O2	1	1	1	11232	1	1	1
C7 H21 N4 O5	1	1	1	1	1	1	1
C7 H23 N7 O5 S	1	1	1	1	1	1	1
C7 H3 Cl3 N6 O4 S3	7045	1	1	1	1	1	1
C75	1	1	1	1	1	1	1
C8 H11 Cl O4 S2	1	1	1	1	1	1	1
C8 H16	1	1	1	1	1	1	1
C8 H18 N4 O S	1	1	1	1	1	1	1
C8 H21 Cl N8 O2	1	1	1	1	1	1	1
C8 H22 N2 O2 S2	1	1	1	1	1	1	1
C8 H24 N4 O6	1	1	1	1	1	1	1
C9 H13 N8	1	1	1	1	1	1	1
C9 H17 N3 O +5.614	1	1	1	1	1	1	1
C9 H18 N2 O +9.391	1	1	1	1	13651	1	1
C9 H19 N5 S	1	1	1	1	1	1	1
C9 H7 Cl N4 O	1	1	1	1	1	1	1
Canthiumine +1.508	1	1	1	1	1	1	1
Capillartemisin A	1	1	1	1	1	1	10105
Capillartemisin B +2.004	1	1	1	1	1	1	1
Capsaicin	1	1	105622	1	1	1	1
carbenicillin	1	1	1	1	1	1	5259
Carbidopa	1	1	1	1	1	1	1
Carbofuran	1	1	1	1	1	1	1
Cardiogenol C +1.418	1	1	1	1	1	1	1
Caribine	1	1	1	1	1	1	1
Carolinianine	1	1	1	1	1	1	1
Carteolol +1.264	5708	1	1	1	1	1	1
Carteolol +4.863	1	1	1	1	1	1	1
Carteolol +4.902	1	1	1	1	1	1	1
Castanospermine	1	1	1	1	1	1	1
CAY10464	1	6545	1	1	1	1	1
CAY10492	1	1	1	1	1	1	1
CAY10492 +1.611	1	1	1	1	8155	1	1
CAY10514	1	1	1	1	1	1	1
CAY10580	1	1	1	1	1	1	1
CBHA	1	8174	1	1	1	1	1
Cerivastatin	1	1	1	1	1	1	5919
Chalcomycin	1	5395	1	1	1	1	1
Chamazulene +1.572	1	5232	1	1	1	1	1
Chlorbufam	1	1	1	1	1	1	1
Chloromethiuron	1	1	1	1	1	1	1
ciclopirox +6.818	1	1	1	1	1	1	1
Cilazapril	1	1	1	1	1	1	1
Cinchonidinone	1	1	1	1	1	1	1
Cinnamodial	1	1	1	1	1	1	1
Ciprofloxacin	1	1	1	1	5604	1	1
cis-Zeatin +5.183	1	1	1	1	1	1	1
Citrinin	1	1	1	1	1	1	1
Clionamide	1	1	1	1	1	1	1
Cobalt-precorrin 5A	1	1	1	1	1	1	1
Codeine	1	1	1	5620	1	1	1
Compound III(S)	1	1	1	1	1	1	1
Confertifolin +1.234	1	1	1	1	1	1	1
Conhydrine +9.368	1	1	1	1	1	12959	1
Convoline +1.586	1	1	1	1	1	1	1
Convoline +1.65	1	1	1	1	1	1	1
Coprine +5.741	8593	1	1	1	1	1	1
Corpaine	1	1	1	1	1	1	1
Cryptophorine	1	1	1	1	1	6527	1
Cucumopine	1	1	1	1	1	1	8201
Cyanofenphos	1	1	1	1	1	1	1
Cycleanine	1	1	1	1	1	1	1
cyclohexylammonium +4.773	1	1	1	1	1	1	1
cyclohexylammonium +8.543	1	1	1	1	1	1	1
Cymather aldehyde methyl ester +1.436	1	1	1	1	1	1	1
Cynometrine	1	1	1	1	1	1	1
Cynometrine +2.098	1	1	1	1	1	1	1
Cynometrine +2.126	1	1	1	1	1	1	1
Cyromazine	1	1	1	13395	1	1	1
Cys Asn His	1	1	1	1	1	1	1
D-1-Piperideine-2-carboxylic acid	1	1	1	1	1	1	1
DAN-1 EE	1	1	1	1	1	1	1
DAUDA	1	1	1	1	1	1	1
D-Camphorsulfonate	1	1	1	1	1	1	1
Deamino-?-keto-demethylphosphinothricin	1	1	1	1	1	1	1
Debromohymenialdisine	1	1	1	1	1	1	1
decanamide +4.133	1	1	1	1	1	1	1
Decanoyl m-Nitroaniline	1	1	1	1	1	1	1
Dehydrojuvabione	1	1	1	1	1	1	1
Delcorine +1.282	1	1	1	1	1	1	1
delta-Guanidinovaleric acid	1	1	1	1	1	1	1
Deoxycytidine +7.743	1	1	1	1	1	1	1
Desmethyldeschlorobenzoyl Indomethacin	1	1	1	1	1	1	1
Desmethylpirenzepine +1.578	1	1	1	1	1	1	8486
Dexnorfenfluramine	1	1	1	1	1	1	1
dexpanthenol +6.741	1	1	1	1	1	1	1
DG(14:1(9Z)/14:1(9Z)/0:0)	1	1	1	1	1	1	1
DG(16:0/22:2(13Z,16Z)/0:0)[iso2]	1	1	1	1	1	1	1
DG(16:1(9Z)/14:1(9Z)/0:0)	1	1	1	1	1	1	1
DG(18:1(9Z)/22:1(13Z)/0:0)[iso2]	1	1	1	1	1	1	1
D-Glutamine +7.103	1	1	1	1	1	1	1
Diacetyl +7.476	1	1	1	1	1	1	39120
Dibekacin	1	1	1	1	1	1	1
Dibekacin +3.748	1	1	1	1	1	1	1
Diethofencarb	1	1	1	1	1	1	1
Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate +6.216	1	1	1	1	1	1	1
Diethylcarbamazine N-Oxide	1	1	1	1	1	1	1
diginatigenin	1	1	1	1	1	1	1
Digitoxigenin	1	1	1	1	1	1	1
Dihydro-7-Desacetyldeoxygedunin	1	1	1	1	1	1	1
Dihydroanhydrorhodovibrine/ Dihydromethoxylycopene	1	1	1	1	1	1	1
Dihydropicromycin	1	1	1	1	1	1	1
Dihydroxymelphalan +7.351	1	1	1	1	1	1	1
Diisopropyl sulfate +1.59	1	1	1	1	1	1	1
Dikegulac	1	6404	1	1	1	1	1
DIMBOA	1	5289	1	1	1	1	1
Dimebolin +1.339	1	1	1	1	1	1	1
Dimepiperate	1	1	1	1	1	1	1
Dimetacrine	1	1	1	1	1	1	1
Dimethachlor +4.159	1	1	1	1	1	1	1
Dimethylaminoethyl reserpilinate +6.059	1	1	1	1	1	1	1
Dinoflagellate luciferin +1.464	1	1	1	1	1	1	1
Dinoflagellate luciferin +2.467	1	1	1	1	1	1	1
Diphenidol	1	1	1	1	1	1	1
Disinomenine	1	1	1	1	1	1	5260
Dithiopyr	1	1	1	1	1	1	1
Divinylchlorophyll a	1	1	1	1	1	1	1
DL-Cycloserine	1	1	1	1	1	1	1
DL-Methionine sulfoxide	1	1	1	1	1	1	1
DMXB-A	1	1	1	1	1	1	1
D-Mycinose	1	1	1	1	1	1	1
D-Mycinose +1.374	1	1	1	1	1	1	1
dolichyl D-xylosyl phosphates	1	1	1	1	1	1	1
Dopamine quinone	1	1	1	1	5938	1	1
DPPP	1	1	1	1	1	1	1
D-Thevetose	1	1	1	1	1	1	1
Elaidic carnitine	1	1	1	1	1	1	1
Elastin	1	1	1	1	1	1	1
emedastine +1.226	1	1	1	6964	1	1	1
Endothal	1	1	1	1	1	1	1
ent-Corey PG-Lactone Diol +1.283	1	1	1	1	1	1	1
EPA	1	1	1	1	1	1	1
Ergoline-1,8-dimethanol, 10-methoxy-6-methyl-, (8b)-	1	1	1	1	1	1	1
Ergoline-8-methanol, 10-methoxy-6-methyl-, (8b)-	1	1	1	1	1	1	1
ergosta-3beta,5alpha,6beta,25-tetrol	1	1	1	1	1	1	1
Erysonine	1	1	1	1	1	1	1
Ethambutol aldehyde +6.626	1	1	1	1	1	1	1
Ethiolate	1	1	1	1	1	1	1
Ethopropazine	1	1	1	1	1	1	1
Ethyl 3-(N-butylacetamido)propionate +1.529	1	1	1	1	1	1	1
Ethyl isobutyl ketone +1.161	1	1	1	1	1	1	1
Ethyl syringate +2.899	1	1	1	1	1	1	1
Ethyl-imidazole carboxylate +7.343	1	1	62591	1	1	1	1
Evadol +1.311	1	1	1	1	1	1	1
Evasterioside C +3.553	1	1	1	1	1	1	1
Fabianine	1	1	1	1	1	1	1
Fagomine +4.182	1	1	1	1	1	14271	1
Fagomine +6.134	1	1	1	1	1	1	1
Fagomine +6.806	1	1	1	1	1	1	1
Fampridine	1	1	1	1	1	1	1
Farfugin A +4.456	10877	1	1	1	1	1	1
Farnesyl Thiosalicylic Acid	1	1	1	1	1	1	1
Fenothiocarb sulfoxide	1	1	1	1	1	1	1
Fenuron +4.74	1	12714	1	1	1	1	1
Ferimzone +1.181	1	1	1	1	1	1	1
Fibrin +6.254	1	1	1	1	1	1	1
flumethasone pivalate +1.112	1	1	1	1	1	1	1
Flupenthixol sulfoxide	1	1	1	1	1	1	1
Flupenthixol-O-glucuronide	1	1	1	1	1	1	1
Fluridone	1	1	1	1	1	1	1
Flutolanil +1.998	1	1	1	1	1	1	1
Flutolanil +2.002	1	1	1	1	1	1	35655
Flutriafol	1	1	1	1	1	1	1
Flutriafol +2.379	1	1	1	1	1	1	1
Fructoselysine	1	1	1	1	1	1	1
FTY720 phenoxy-biotin	1	1	1	1	1	1	1
Fuberidazole	1	1	1	1	1	1	1
Fulvine	1	1	1	1	1	1	1
Furafylline +2.663	1	1	1	1	22018	1	1
Furan	1	1	1	1	1	1	1
Furanodienone +2.095	1	1	1	1	1	1	1
Furfural +2.294	1	1	1	1	1	1	1
Furfural diethyl acetal	1	1	1	1	1	1	1
Fursultiamine	1	1	1	1	1	1	1
Fusicoccin A	1	1	1	1	1	1	1
Fusicoccin A +2.347	1	1	1	1	1	1	1
Fusicoccin H +2.313	1	1	1	1	1	1	1
GA +3.034	1	1	1	1	1	1	1
Gabaculine +6.226	1	1	1	1	1	1	1
Gabaculine +6.532	1	1	1	1	1	1	1
Gabapentin +1.558	1	1	1	1	1	1	1
Gabapentin +1.61	1	1	1	1	1	1	1
Galanthamine	1	1	1	1	1	1	1
Gentamicin C1a +3.736	5086	1	1	1	1	1	1
gibberellin A17	1	5968	1	1	1	1	1
Girgensonine	1	1	1	1	1	1	1
Glabric acid	1	1	1	1	1	1	1
Gln Trp Ser	1	1	1	1	6229	1	1
Gln Trp Val	1	1	1	1	7112	1	1
Gly Ile Ala +7.887	1	1	1	1	1	1	1
Gly Leu Leu +6.274	1	1	1	1	1	1	1
Gly Met Trp	6283	1	1	1	1	1	1
Gly Phe +2.118	1	1	1	1	1	1	1
Gly Phe +7.552	1	1	10879	1	1	1	1
Gly Phe Val	1	1	1	1	1	1	1
Gly Val Met	1	1	1	1	1	1	1
Glycidyl oleate	1	1	1	1	1	1	1
Gossypetin 8-glucuronide +2.764	1	1	1	1	1	1	1
Granisetron metabolite 1	1	1	1	1	1	1	1
Graphinone	1	1	1	1	1	1	1
Guanethidine	1	1	1	1	1	1	1
Halaminol A +1.181	1	1	1	1	1	1	1
Harmaline	1	1	1	1	1	1	1
Harzianopyridone +7.031	1	1	1	1	1	1	1
HC Red No. 3	1	1	1	1	1	1	1
Hecogenin Acetate +1.846	1	1	1	1	1	1	1
Heritonin	1	1	1	1	1	1	1
Hexanoylglycine +1.318	1	1	1	1	1	1	1
Hexazinone	1	1	1	1	1	1	1
Hinokitiol glucoside	1	1	1	1	1	1	1
Hippuric acid	1	1	1	1	1	1	1
Hippuric acid +1.949	1	1	1	1	1	1	1
His Ala	1	1	1	1	1	1	1
His Gly Pro	1	1	1	1	1	1	1
His Lys +2.927	1	1	1	1	1	1	1
His Lys +6.072	1	1	1	1	1	1	1
His Lys Pro	1	1	1	1	13783	1	1
Histidylleucine	1	1	1	1	1	1	1
Histidylleucine +6.61	1	1	1	1	1	1	1
Homocysteinesulfinic acid	1	1	1	1	1	1	1
Homocystine	1	1	1	1	1	1	6626
Homovanillyl alcohol	1	1	1	1	1	1	1
Hydrouracil (Dihydrothymine)	1	1	1	1	1	1	1
Hydroxychloroquine	1	1	1	1	1	1	1
Hydroxylysine	1	1	1	1	1	1	1
Hydroxymelphalan	1	1	1	1	1	1	1
Hymenoxon	1	1	1	1	1	1	1
Hypoxanthine	1	1	1	1	1	1	1
Idebenone Metabolite (1,4-Benzenediol, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-)	1	1	1	1	1	1	1
Ilexolide A	1	1	1	1	1	1	1
Indican	1	1	1	1	1	1	1
Indicumenone +1.205	1	1	1	1	1	1	1
Indicumenone +6.492	1	1	1	1	1	1	1
Indole-3-acetaldoxime N-oxide	1	1	1	1	1	10905	1
Indoleacrylic acid	1	1	1	1	1	1	1
Iretol	1	1	1	1	1	1	1
Iridotrial glucoside	1	1	6377	1	1	1	1
Irinotecan +1.85	1	1	1	1	1	1	1
Isobutylmethylxanthine	1	1	1	1	1	1	1
Isobutyrylglycine +2.719	1	1	1	1	1	1	1
Isocarbamid +3.934	1	1	7908	1	1	1	1
Isofebrifugine +2.393	1	1	1	1	1	1	1
isopimara-7,15-dienal	1	1	1	1	1	1	1
Isopratol	1	1	1	1	1	1	1
Isoproturon	1	1	1	1	1	1	1
Isoproturon +6.456	1	1	1	1	1	1	1
I-Urobilin +1.225	1	1	1	1	1	1	1
I-Urobilin +6.068	1	1	1	1	1	1	1
Ivermectin B1a	1	1	1	1	1	1	1
Ivermectin B1a +2.617	1	1	1	1	1	1	1
JWH 018 2-hydroxyindole metabolite	1	1	1	1	1	1	5809
JWH 073 2-hydroxyindole	1	1	1	1	1	1	5072
JWH 251	1	1	1	1	1	1	1
Kaempferol 3-(2''''-sinapylglucosyl)(1-4)(6'''-sinapylglucosyl)(1-2)-galactoside	1	1	1	1	1	1	1
Kaempferol 3-apioside-7-rhamnosyl-(1-6)-(2''-(E)-caffeoylglactoside)	1	1	1	1	1	1	1
Karanjachromene	1	1	1	1	1	1	1
Karbutilate	1	1	1	1	1	1	1
Kentsin	1	1	1	1	1	1	5342
L-4-Hydroxy-3-methoxy-a-methylphenylalanine +6.954	1	1	1	1	1	1	1
Lactaroviolin	1	1	1	1	1	1	1
L-Adrenaline +2.018	1	1	1	1	1	1	1
L-Adrenaline +3.188	1	1	1	1	1	1	1
L-Adrenaline +6.16	1	1	1	1	1	1	1
Lanceotoxin A +1.675	1	1	1	1	1	1	1
Lanceotoxin B +2.773	1	1	1	1	1	1	1
Lauryl hydrogen sulfate +1.211	1	1	1	1	1	1	1
L-Dopa +2.865	1	9416	1	1	1	1	1
Lentiginosine +1.216	1	1	1	1	1	1	1
Lentiginosine +6.376	1	1	1	1	1	1	1
Leontiformine	1	1	12278	1	1	1	1
Lepidissipyrone +5.579	1	1	1	1	1	1	1
Letrozole +1.257	1	1	1	1	1	1	1
Leu Lys Tyr	14423	1	1	1	1	1	1
Leucyl-leucine	1	1	1	1	1	1	1
Levetiracetam	1	1	1	1	1	1	1
L-Glutamic acid n-butyl ester +1.175	6218	1	1	1	1	1	1
L-Histidinal +4.192	1	1	1	1	1	1	1
L-Homotyrosine +6.338	1	1	1	1	1	1	1
Limocitrol 3-[alpha-L-arabinopyranosyl-(1-3)[galactosyl-(1-6)]-galactoside]	1	1	1	1	5257	1	1
Linoleoyl Ethanolamide +1.219	1	1	1	1	1	1	1
Liquiritigenin 7-apiofuranoside-4'-glucoside	1	1	1	1	1	1	1
Lisinopril	1	1	1	1	1	1	1
L-NIO	1	1	1	1	1	1	1
L-O-Methylthreonine +6.068	1	1	1	1	1	1	1
Lophophorine +3.607	1	1	1	1	1	1	1
Loxtidine	1	1	1	1	1	1	1
L-prolyl-L-proline +2.828	1	1	1	1	1	1	1
L-Urobilin +1.684	1	1	1	1	1	1	1
L-Urobilinogen +2.104	1	1	1	1	1	1	1
L-Urobilinogen +6.666	1	1	1	1	1	1	1
Lys Arg Arg +1.25	1	1	1	1	1	1	1
Lys Gly +6.484	1	1	1	5333	1	1	1
Lys His Leu	1	1	1	1	1	1	1
Lys Phe Gln +1.35	1	1	1	1	1	1	1
Lys Thr Tyr +2.895	1	1	1	1	1	1	1
Lys Thr Tyr +2.898	1	1	1	1	1	1	1
Lys Tyr Gly	1	1	1	1	1	1	1
Lys Tyr Gly +2.542	1	1	1	1	1	1	1
LysoPC(14:1(9Z))	1	1	1	1	1	1	1
Makisterone A +1.48	1	1	1	1	1	1	1
Malyngamide C acetate	1	1	1	1	1	1	1
Mebhydrolin	1	1	1	1	1	1	1
Mebhydrolin +8.612	1	1	1	1	1	1	1
MeIQ	1	1	1	1	1	1	1
MeIQ +1.189	1	1	1	1	1	1	1
MeIQx +7.169	1	1	1	1	1	1	1
Melamine	1	1	1	1	1	1	1
Meperidine (pethidine)	1	1	1	1	1	1	1
Mepronil	1	1	1	1	1	1	1
Meradimate	1	1	1	1	1	1	1
Mescaline +1.457	1	1	21869	1	1	1	1
Mescaline +1.71	1	1	1	1	1	1	1
Mesobilirubinogen	1	1	1	1	1	1	1
Mesobilirubinogen +1.447	1	1	1	1	31638	1	1
Mesobilirubinogen +1.605	1	1	1	1	1	1	1
Mesoporphyrin IX	1	1	1	1	1	1	1
Met Thr	1	1	1	1	1	1	1
Metabutethamine +6.465	1	5409	1	1	1	1	1
Metabutethamine +9.304	1	1	1	1	1	1	1
Metamitron +6.552	1	1	1	1	1	1	1
Methacholine +1.591	1	1	1	1	1	1	1
Methocarbamol	1	1	1	1	1	1	1
Methocarbamol +2.92	1	1	1	1	1	1	1
methyl 13-sophorosyloxydocosanoate	1	1	1	1	1	1	1
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate	1	1	1	1	1	1	1
Methylsulfomycin I	1	1	1	1	1	1	1
Mexacarbate +9.759	1	1	1	1	1	1	1
MG(0:0/20:3(11Z,14Z,17Z)/0:0)	1	1	1	1	1	1	1
MG(16:1(9Z)/0:0/0:0)	1	1	1	1	1	1	1
MG(18:0/0:0/0:0)	1	1	1	1	1	1	1
MGK 264	1	1	1	1	1	1	1
Micropine	1	1	1	1	1	1	1
MID42021:(22E)-26,26,26,27,27,27-hexafluoro-25-hydroxy-22,23-didehydrovitamin D3 / (22E)-26,26,26,27 +1.318	1	1	1	1	1	1	1
MID42313:1?,25-dihydroxy-24a,24b-dihomo-22-oxavitamin D3 / 1?,25-dihydroxy-24a,24b-dihomo-22-oxachol +1.042	1	1	1	1	1	1	1
MID42333:24,24-difluoro-1?,25-dihydroxy-26,27-dimethylvitamin D3 / 24,24-difluoro-1?,25-dihydroxy-26	1	1	1	1	1	1	1
MID84215:(23S,24R,25S)-23,24-dihydroxy-spirost-5-en-3beta-yl O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-	1	1	1	1	1	1	1
MID84215:(23S,24R,25S)-23,24-dihydroxy-spirost-5-en-3beta-yl O-alpha-L-rhamnopyranosyl-(1-2)-beta-D- +3.072	1	1	1	1	1	1	1
Midodrine +6.227	1	1	1	1	1	1	1
Miraxanthin-III	1	1	1	1	1	1	1
MK 886	1	1	1	1	1	1	1
ML-236C	1	1	1	1	1	1	1
Monocrotaline	1	1	1	1	1	1	1
Monocrotaline +4.686	1	1	1	1	7123	1	1
Mucronine A	1	1	1	1	1	1	1
Muscimol +6.011	1	1	1	1	1	1	1
Myristic Acid Alkyne +7.699	1	1	1	1	1	1	1
N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine +6.003	1	1	1	1	1	1	1
N-(3S-hydroxydecanoyl)-L-serine	1	5479	1	1	1	1	1
N-(4-benzenesulfonamide) arachidonoyl amine	5583	1	1	1	1	1	1
N(6)-(Octanoyl)lysine +6.592	1	1	1	1	1	1	1
N(alpha)-Benzyloxycarbonyl-L-leucine +6.433	1	1	1	1	1	1	1
N-(Carboxymethyl)-D-alanine +7.365	1	1	1	1	1	1	1
N,N-Dihydroxy-L-phenylalanine	1	1	1	1	1	1	1
N,O-Didesmethylvenlafaxine +1.245	1	1	1	1	1	1	1
N2-Acetyl-L-ornithine +6.064	1	1	1	1	1	1	1
N5-(L-1-Carboxyethyl)-L-ornithine	1	1	1	1	1	1	1
N5-Ethyl-L-glutamine	1	1	1	1	1	1	9978
N6-(L-1,3-Dicarboxypropyl)-L-lysine	1	1	1	1	1	1	1
N6-(L-1,3-Dicarboxypropyl)-L-lysine +6.863	1	1	1	1	1	1	1
N8-Acetylspermidine	1	1	1	1	1	1	1
N8-Acetylspermidine +9.381	1	1	1	13980	1	1	1
N-Acetyl-8-O-methyl-Neuraminic acid	1	1	1	14193	1	1	1
N-Acetylimidazole +4.021	1	1	1	1	1	1	1
N-Acetylserotonin	1	1	1	1	1	1	16573
N-Acetylvanilalanine	1	1	1	1	1	1	1
Nafoxidine +5.652	1	1	1	1	1	1	1
NBD-FTY720 phenoxy	1	1	1	1	1	1	1
n-Butyl-2-cyanoacrylate	1	1	1	1	1	1	1
n-Butyl-2-cyanoacrylate +6.556	1	1	1	1	1	1	1
N-Butylscopolamine metabolite	1	1	1	1	1	1	1
N-cis-tetradec-9Z-enoyl-L-Homoserine lactone	1	1	1	1	1	1	1
N-depyridomethyl-Indinavir	1	1	1	1	1	1	1
N-Desmethyltolmetin	1	1	1	1	1	1	1
N-D-Ribosylpurine +2.919	1	1	1	1	1	1	1
Neocnidilide	1	1	1	1	1	1	1
Neolinderatone	1	1	1	1	1	1	1
Neostigmine	1	1	1	1	1	1	1
NeuAcalpha2-3Galbeta-Cer(d18:1/26:1(17Z))	1	1	1	1	1	1	1
N-Guanylhistamine	1	1	1	1	1	1	1
N-Guanylhistamine +5.958	1	1	1	1	1	1	1
NH-DVal(NMe)-Val-OMe +5.679	1	1	1	1	1	1	1
NH-DVal(NMe)-Val-OMe +8.442	1	1	1	1	1	1	15575
N-heptanoyl-homoserine lactone	1	1	1	1	1	1	1
N-Histidyl-2-Aminonaphthalene (?NA)	1	1	1	1	1	1	1
N-Hydroxy-L-phenylalanine +1.236	1	1	1	1	1	1	1
N-Hydroxy-L-phenylalanine +1.965	1	1	1	1	1	1	1
N-Hydroxy-L-phenylalanine +3.58	1	1	1	1	1	1	15205
N-Hydroxy-L-phenylalanine +8.614	1	1	1	1	1	1	1
N-Hydroxyl-tryptamine	1	1	1	1	1	1	1
Nicotinamide riboside +6.307	1	1	1	1	1	1	1
Nigakilactone A	1	1	1	1	1	1	1
Nizatidine	1	1	1	1	1	1	1
N-Nitrosodiethylamine +6.187	1	1	1	1	1	1	1
N-Nitroso-N-ethylurea	1	1	1	1	1	1	12251
N-nonanoyl-L-Homoserine lactone +7.087	1	1	1	1	1	1	1
Nobilin	1	1	1	1	1	1	8806
N-oleoyl isoleucine	1	1	1	1	1	1	1
Nordihydrocodeine +1.438	1	1	1	1	22017	1	1
Nordihydrocodeine +1.593	1	1	1	1	1	1	1
Nordihydrocodeine +1.631	1	1	1	1	1	1	1
Nordihydrocodeine +2.405	1	1	1	1	1	1	1
Noruron +6.676	1	1	1	1	1	1	1
N-palmitoyl alanine	1	1	1	1	1	1	1
N-palmitoyl glutamine	1	1	1	1	1	1	1
N-palmitoyl threonine	1	1	1	1	1	1	1
N-Phenyl-2-naphthylamine	1	1	1	1	1	1	1
N-stearoyl GABA	1	1	1	1	1	1	1
NVP-AEW541	1	1	5490	1	1	1	1
O-?-D-Xylosylzeatin +6.123	1	1	1	1	1	1	1
O-Acetylserine	1	1	1	1	1	1	1
Olanzapine +4.129	1	1	1	1	1	1	1
Olanzapine +4.208	1	1	1	1	1	1	1
Oleandrose	1	1	1	1	1	1	1
Ondansetron	1	1	1	1	1	1	5739
Ornithine	1	1	1	1	1	1	1
Orsellinic acid +1.7	1	1	1	1	1	1	1
Oxethazaine	1	1	1	1	1	1	1
Oxidized dinoflagellate luciferin	1	1	1	1	1	1	6396
Oxidized Latia luciferin +8.955	1	1	1	1	1	1	1
PA(14:0/12:0)	1	1	1	1	1	1	1
PA(18:2(9Z,12Z)/0:0)	5927	1	1	1	1	1	1
PA(18:2(9Z,12Z)/12:0)	1	1	1	1	1	1	1
PA(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1	1	1	1	1	1	1
Palmityl Trifluoromethyl Ketone	1	1	1	1	1	1	1
Palmityl Trifluoromethyl Ketone +1.11	1	1	1	1	1	1	1
Pargyline +5.717	1	1	1	1	1	1	1
Patuletin 3-(2''-feruloylglucosyl)-(1-6)-[apiosyl-(1-2)-glucoside]	1	1	1	1	1	1	1
p-Coumaroylputrescine	1	1	1	1	1	1	1
PE(16:1(9Z)/0:0) +6.076	12943	1	1	1	1	1	1
PE(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) +7.587	1	1	1	1	1	1	1
PE(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	1	1	1	1	1	1	1
PE(20:5(5Z,8Z,11Z,14Z,17Z)/15:1(9Z))	1	1	1	1	1	1	1
PE(20:5(5Z,8Z,11Z,14Z,17Z)/15:1(9Z)) +2.706	1	1	1	1	1	1	1
PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) +5.378	1	1	1	1	1	1	1
PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	1	1	1	1	1	1	1
PE(9:0/9:0)[U] +6.409	1	1	1	1	1	1	1
Penciclovir	1	1	1	1	1	1	1
Pentahomomethionine	1	1	1	1	1	1	1
Perflubron +5.657	1	1	1	1	1	1	1
PF-622	1	1	1	1	1	1	1
PG(12:0/20:4(5Z,8Z,11Z,14Z))	1	1	1	1	1	1	1
PG(20:5(5Z,8Z,11Z,14Z,17Z)/20:0)	1	1	1	1	1	1	1
PG(22:2(13Z,16Z)/0:0)	1	1	1	1	1	1	1
PG(O-20:0/0:0)	1	1	1	1	1	1	1
Phe Ala Thr	1	1	1	1	1	1	1
Phe Leu Glu	1	1	1	1	1	1	1
Phe Leu Glu +6.177	1	1	1	1	1	1	1
Phenformin +1.794	1	1	1	1	1	5207	1
Phenicarbazide	1	1	1	1	1	1	1
Phenmedipham +1.451	1	1	1	1	1	1	42246
Phenylacetylglycine dimethylamide	1	1	1	1	1	1	1
Phenylheptatriyne	1	1	1	1	1	1	1
Phorbol 12-tiglate 13-decanoate	1	1	1	1	1	1	1
p-Hydroxybenzyldesulphoglucosinolate	1	1	1	12025	1	1	1
p-Hydroxydextroamphetamine	1	1	1	1	1	1	1
Phyllalbine	1	1	1	1	1	1	1
Phytophthora mating hormone alpha1	5711	1	1	1	1	1	1
PI(12:0/12:0) +1.555	1	1	1	1	1	1	1
PI(12:0/12:0) +1.632	1	1	1	1	1	1	1
PI(12:0/12:0) +7.574	1	1	1	1	1	1	1
PI(12:0/20:4(5Z,8Z,11Z,14Z))	1	1	1	1	1	1	1
PI(13:0/21:0)	1	1	1	1	1	1	1
PI(22:1(11Z)/0:0) +1.439	1	1	1	1	1	1	1
PI(22:1(11Z)/0:0) +1.522	1	1	1	1	1	1	1
PI(22:1(11Z)/0:0) +7.163	1	1	1	1	1	1	1
PI(22:1(11Z)/0:0) +7.267	1	1	1	1	1	1	1
Picrasin C	1	1	1	1	1	1	1
Picropodophyllotoxin Acetate	1	1	1	6902	1	1	1
Pikromycin +2.539	1	1	1	1	1	1	1
Pinidine	1	1	1	1	1	1	1
Pinidine +4.355	1	1	1	1	1	1	1
Piperidine +6.033	1	1	1	1	1	1	1
Piperonyl sulfoxide	1	1	1	1	1	1	1
Piracetam	1	1	1	1	1	1	1
Piracetam +4.735	1	1	1	1	1	1	1
Pirenperone	1	1	1	1	1	1	1
Plastoquinol-9	17586	1	1	1	1	1	1
p-menthane skeleton	1	1	1	8226	1	1	1
Polygonolide	1	1	1	1	1	1	1
Porphobilinogen	1	1	1	1	1	1	1
Presqualene diphosphate	1	1	1	1	1	1	1
Pro Gly Phe	1	1	1	1	1	1	1
Pro Lys Ala	1	1	1	1	1	1	1
Pro Lys Ala +2.412	1	1	1	1	1	1	1
Pro Lys Gln +2.158	1	1	1	1	1	1	1
Pro Val Asn	1	1	1	1	1	1	1
Procaterol +7.166	1	1	1	1	1	1	1
Promacyl +1.308	1	1	1	1	1	1	1
Propoxur +1.261	1	1	1	1	1	1	1
Propoxur +6.72	1	1	1	1	1	1	1
Propoxur +7.089	6719	1	1	1	1	1	1
Propylthiouracil	1	1	1	1	1	1	1
Prostaglandin D2-biotin +4.314	1	1	1	1	1	1	1
PS(18:0/0:0)	1	1	1	1	1	1	1
PS(18:0/0:0) +3.804	1	1	1	1	1	1	1
PS(19:0/0:0) +1.196	1	1	1	1	1	1	1
PS(19:0/0:0) +6.774	1	7225	1	1	1	1	1
PS(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	1	1	1	1	1	1	1
PS(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	1	1	1	1	1	1	1
PS(22:2(13Z,16Z)/0:0)	1	1	1	1	1	1	1
PS(P-16:0/0:0)	1	1	1	1	1	1	1
PS(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) +5.925	1	1	1	1	1	1	1
Pseudoephedrine	1	1	1	1	1	1	1
Psicofuranine	1	1	1	1	1	1	1
PSN632408	1	1	1	1	1	1	1
Purine	1	1	1	1	1	13970	1
Pyocyanine	1	12981	1	1	1	1	1
Pyriculol	1	1	1	1	1	1	1
Pyrimidine	1	1	1	1	1	1	1
Quinagolide +2.93	1	1	1	1	1	1	10411
Quinapril	1	1	1	1	1	1	1
R-beta-methylphenylethylamine	1	1	1	1	1	1	1
R-beta-methylphenylethylamine +4.814	1	1	1	1	1	1	1
Retronecine +1.619	1	1	1	1	1	1	1
Retusoquinone	1	1	1	1	1	1	1
Rinderine	1	1	1	1	1	1	1
Ripazepam	1	1	1	8721	1	1	1
Rivastigmine +6.087	1	1	1	1	1	1	1
Rivastigmine +9.18	1	1	1	1	1	1	1
Rosaniline	1	1	1	1	1	1	1
RU-0211	1	1	1	1	1	1	1
S-(2,4-Dinitrophenyl)glutathione	1	1	1	1	1	1	5762
S-[(E)-Prop-1-enyl]-L-cysteine S-oxide	1	1	1	1	1	1	1
Saquinavir	1	1	1	1	1	1	1
Sarracine	1	1	1	1	1	1	1
SB 218655	1	1	1	1	1	1	1
Schizandrin	1	1	1	1	1	1	1
Secbumeton +1.562	1	1	1	1	1	1	1
Secbumeton +7.403	1	1	1	1	1	1	1
Secogalioside	1	1	1	1	1	1	5102
Ser Tyr Glu	1	1	1	1	1	1	1
Serratine +5.478	14956	1	1	1	1	1	1
Sibutramine	1	1	1	1	1	1	1
Songorine +2.121	1	1	1	1	1	1	1
Songorine +2.774	1	1	1	1	1	1	5918
stigmast-25-en-3?-ol	1	1	1	1	1	1	1
Stovaine +4.037	1	1	1	1	1	1	1
Streptobiosamine	1	1	1	1	1	1	1
Styrene +1.152	1	1	1	1	1	1	1
SU 5416 +3.052	1	1	1	1	1	1	1
Succinylmonocholine	1	1	1	1	1	1	1
Sulfaphenazole	1	1	1	1	1	1	1
Sunitinib	1	1	1	1	1	1	1
Swietenidin B	1	1	1	1	1	6005	1
Tabernamine	1	1	1	1	1	1	1
Tacrolimus	1	1	1	1	1	1	1
Tacrolimus +2.012	1	1	1	1	1	1	1
Tauroursocholic acid +3.234	5516	1	1	1	1	1	1
Tetradecanoylcarnitine	1	1	1	1	1	1	1
Tetrahexosylceramide (d18:1/9Z-18:1)	1	1	1	1	1	1	1
Tetralin	1	1	1	1	1	1	1
Tetranor-PGF1alpha +1.213	1	1	1	1	1	1	1
TG(14:0/14:0/14:0)	1	1	1	1	1	1	1
TG(15:0/18:2(9Z,12Z)/16:0)[iso6]	1	1	1	1	1	1	1
TG(15:0/20:1(11Z)/14:0)[iso6]	1	1	1	1	1	1	1
TG(16:0/14:0/16:0)[iso3]	1	1	1	1	1	1	1
TG(16:0/14:0/16:1(9Z))[iso6]	1	1	1	1	1	1	1
TG(16:0/14:0/18:0)[iso6]	1	1	1	1	1	1	1
TG(16:0/16:1(9Z)/20:2(11Z,14Z))[iso6]	1	1	1	1	1	1	1
TG(16:0/18:3(9Z,12Z,15Z)/20:0)[iso6]	1	1	1	13889	1	1	1
TG(16:1(9Z)/14:0/18:1(9Z))[iso6]	1	1	1	1	1	1	1
TG(16:1(9Z)/18:0/18:1(9Z))[iso6] +1.207	1	1	1	1	1	1	1
TG(17:0/17:0/17:2(9Z,12Z))[iso3]	1	1	1	1	1	1	1
TG(18:0/16:0/18:1(11Z))[iso6]	1	1	1	1	1	1	1
TG(18:0/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6]	1	1	1	5785	1	1	1
TG(18:1(9Z)/14:0/18:2(9Z,12Z))[iso6]	1	1	1	1	1	1	1
THA +1.096	1	1	10363	1	1	1	1
Thalsimine +1.717	1	1	1	1	1	1	1
Thapsigargin +3.667	1	1	1	1	1	1	1
Thr Ala Thr	1	1	1	1	1	1	1
Todralazine	1	1	1	1	1	1	1
Tolbutamide	1	1	1	1	1	1	1
Tolperisone	1	1	10663	1	1	1	1
Trandolapril glucuronide	1	1	1	1	1	1	14517
trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene	1	1	1	1	1	1	1
Triangularine	1	8788	1	1	1	1	1
TRIBOA	1	1	1	1	1	1	1
Tricaine +3.332	1	1	1	1	1	1	1
Trichostatin A +1.651	1	1	1	1	1	1	1
Trichostatin A +6.204	1	1	1	1	1	1	1
Trichothecin +2.454	1	1	1	1	1	1	1
Tricin 7-neohesperidoside	1	1	1	1	1	1	1
Tris(2-methyl-1-aziridinyl)phosphine oxide	1	1	1	1	1	1	1
Tris(2-methyl-1-aziridinyl)phosphine oxide +6.058	1	1	1	1	1	1	1
Trp Ile Arg	1	1	1	1	1	1	1
Trp Pro	1	1	1	1	1	1	1
Trp Ser	1	1	1	1	1	1	1
Trp Thr Trp	1	1	1	1	1	1	1
Tumonoic Acid A	1	1	1	1	1	1	1
Tussilagine +6.789	1	1	1	1	1	1	1
Tylosin	1	1	1	1	1	1	1
Tyr Leu +8.699	15499	1	1	1	1	1	1
Tyr Met Glu	1	1	1	1	1	1	1
Tyr Phe	1	1	1	1	1	1	1
Tyr Tyr +3.579	1	1	1	1	1	1	1
Tyr Tyr Pro	1	1	1	1	1	1	1
TyrMe-Nap-OH +1.041	1	1	1	1	1	1	1
Ursiniolide A	1	1	1	1	1	1	1
Val Arg Pro	1	1	1	1	1	5503	1
Val Arg Tyr	1	1	1	1	1	1	1
Val Arg Val +1.394	11468	1	1	1	1	1	1
Val Asp Trp	1	1	1	1	1	1	1
Val Ile +7.318	1	1	5921	1	1	1	1
Val Leu +6.825	1	1	1	1	1	1	1
Val Tyr Phe	1	1	1	1	1	1	1
Val Val +8.186	1	1	1	1	1	1	1
Valdecoxib	1	1	1	1	1	1	1
Valeroidine	1	1	1	1	1	1	1
Valproic acid glucuronide	1	1	1	1	1	1	1
Vinyl-L-NIO	1	1	1	1	1	1	1
VPGPR Enterostatin +7.764	1	1	1	1	1	1	1
V-PYRRO/NO +4.102	1	1	1	1	1	1	1
Xestoaminol C +4.357	1	1	1	1	18485	1	1
Zalcitabine +1.729	1	1	1	1	1	1	1
Zalcitabine +3.995	1	1	1	1	1	1	1
Zaprinast	1	1	1	1	1	1	1
Zaprinast +6.875	1	1	1	1	1	1	1
Z-Gly-Pro-Leu-Gly-Pro	1	1	1	1	1	1	1
Zinnolide	1	1	1	1	1	1	1
Zizyphine A	1	1	1	1	1	1	1
Zolpidem Metabolite I	1	1	1	1	1	1	1
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Annotations	CAS Number	ChEBI ID	Compound Name	Ionization mode	Mass	Retention Time	Score	KEGG ID	MS1 Composite Spectrum	CompoundAlgo	Formula	Frequency	HMP ID	LMP ID
(2R)-2-Hydroxy-2-methylbutanenitrile	(2R)-2-Hydroxy-2-methylbutanenitrile [ C5 H9 N O, overall=97.37, db=97.37, KEGG ID=C18796, METLIN ID=72565 ]			(2R)-2-Hydroxy-2-methylbutanenitrile	+	99.0684	1.8506563	97.37	C18796	(221.1229, 780.13)(100.0759, 575254.06)(101.0792, 36954.23)(102.0847, 2381.93)(199.1446, 798617.9)(200.1479, 104504.73)(201.1502, 8861.65)(202.1514, 608.86)	FindByMolecularFeature	C5 H9 N O	32
1193.8091@0.998125				1193.8091@0.998125	+	1193.8091	0.998125			(1194.8167, 35613.25)(1195.82, 28418.32)(1196.8229, 12253.96)(1197.8273, 3917.67)(1198.8301, 674.62)	FindByMolecularFeature		32
11Z-Eicosenal	11Z-Eicosenal [ C20 H38 O, overall=74.57, db=74.57, Lipid ID=LMFA06000248, METLIN ID=46533 ]			11Z-Eicosenal	+	311.3188	1.1192813	74.57		(312.3264, 8052.03)(313.3294, 2470.53)	FindByMolecularFeature	C20 H38 O	32		LMFA06000248
1209.8038@1.0000937				1209.8038@1.0000937	+	1209.8038	1.0000937			(1210.8126, 5861.99)(1211.8138, 4946.66)(1212.8173, 2212.08)(1213.8104, 628.66)	FindByMolecularFeature		32
12-oxo-10Z-octadecenoic acid	12-oxo-10Z-octadecenoic acid [ C18 H32 O3, overall=98.86, db=98.86, METLIN ID=35813 ]			12-oxo-10Z-octadecenoic acid	+	296.2353	1.1477499	98.86		(319.2268, 13634.45)(320.23, 3511.39)(297.2429, 212915.53)(298.2463, 44614.1)(299.2499, 5764.97)(300.2548, 902.36)(314.2688, 1775.22)	FindByMolecularFeature	C18 H32 O3	32
13-Docosenamide	13-Docosenamide [ C22 H43 N O, overall=90.74, db=90.74, CAS ID=112-84-5, METLIN ID=64926 ]	112-84-5		13-Docosenamide	+	337.3344	1.08	90.74		(338.3414, 10277.34)(339.3446, 3170.23)(340.352, 598.25)	FindByMolecularFeature	C22 H43 N O	32
13-Docosenamide +1.1372187	13-Docosenamide [ C22 H43 N O, overall=98.36, db=98.36, CAS ID=112-84-5, METLIN ID=64926 ]	112-84-5		13-Docosenamide +1.1372187	+	337.3345	1.1372187	98.36		(338.3422, 278308.16)(339.3452, 66107.91)(340.351, 10323.62)(341.3547, 1400.96)(675.6764, 51256.48)(676.6791, 24698.26)(677.6836, 6891.92)(678.6904, 1189.89)	FindByMolecularFeature	C22 H43 N O	32
17-phenyl trinor Prostaglandin E2 serinol amide	17-phenyl trinor Prostaglandin E2 serinol amide [ C26 H37 N O6, overall=99.43, db=99.43, METLIN ID=44884 ]			17-phenyl trinor Prostaglandin E2 serinol amide	+	459.262	1.1519063	99.43		(460.2691, 26505.94)(461.2723, 7703.49)(462.2764, 1661.72)(463.2885, 244.92)	FindByMolecularFeature	C26 H37 N O6	32
19-methyl-heneicosanoic acid	19-methyl-heneicosanoic acid [ C22 H44 O2, overall=99.14, db=99.14, Lipid ID=LMFA01020227, METLIN ID=73673 ]			19-methyl-heneicosanoic acid	+	357.3604	4.045218	99.14		(358.3679, 46927.1)(359.3709, 11362.98)(360.3711, 1485.79)	FindByMolecularFeature	C22 H44 O2	32		LMFA01020227
1-Hexadecylamine	1-Hexadecylamine [ C16 H35 N, overall=98.25, db=98.25, CAS ID=143-27-1, METLIN ID=4110 ]	143-27-1		1-Hexadecylamine	+	241.2773	3.7383437	98.25		(242.2845, 39856.58)(243.288, 8098.96)(244.2913, 946.5)	FindByMolecularFeature	C16 H35 N	32
2-(3'-Methylthio)propylmalic acid	2-(3'-Methylthio)propylmalic acid [ C8 H14 O5 S, overall=73.76, db=73.76, CAS ID=, KEGG ID=C17214, METLIN ID=64493 ]			2-(3'-Methylthio)propylmalic acid	+	222.0567	1.046375	73.76	C17214	(223.0642, 66610.41)(224.065, 13491.48)(225.0622, 8752.9)(226.0626, 1210.69)(445.1199, 19731.51)(446.1208, 8539.25)(447.1167, 7189.13)(448.1148, 2665.0)	FindByMolecularFeature	C8 H14 O5 S	32
2,5-Dichloro-4-oxohex-2-enedioate	2,5-Dichloro-4-oxohex-2-enedioate [ C6 H4 Cl2 O5, overall=65.31, db=65.31, KEGG ID=C12835, METLIN ID=69492 ]			2,5-Dichloro-4-oxohex-2-enedioate	+	225.9445	5.693312	65.31	C12835	(226.9519, 180969.77)(227.9551, 6299.63)(228.9561, 2509.12)	FindByMolecularFeature	C6 H4 Cl2 O5	32
2-Amino-2-methyl-1-propanol +5.436218	2-Amino-2-methyl-1-propanol [ C4 H11 N O, overall=99.40, db=99.40, CAS ID=124-68-5, METLIN ID=4136 ]	124-68-5		2-Amino-2-methyl-1-propanol +5.436218	+	89.0842	5.436218	99.4		(90.0914, 157341.25)(91.0947, 9296.97)(92.096, 690.89)	FindByMolecularFeature	C4 H11 N O	32
2E-hexenol	2E-hexenol [ C6 H12 O, overall=99.08, db=99.08, Lipid ID=LMFA05000060, METLIN ID=36517 ]			2E-hexenol	+	117.115	5.165156	99.08		(118.1224, 3587200.5)(119.1262, 236094.92)(120.1282, 15226.52)	FindByMolecularFeature	C6 H12 O	32		LMFA05000060
2'-Hydroxy-2,4',6'-trimethoxychalcone	2'-Hydroxy-2,4',6'-trimethoxychalcone [ C18 H18 O5, overall=60.60, db=60.60, Lipid ID=LMPK12120205, METLIN ID=52009 ]			2'-Hydroxy-2,4',6'-trimethoxychalcone	+	314.1153	1.0783747	60.6		(337.1062, 1088.56)(315.1227, 3717.68)(316.1256, 1056.51)(332.1491, 4472.07)(333.1552, 1440.51)	FindByMolecularFeature	C18 H18 O5	32		LMPK12120205
2-oxo-heneicosanoic acid	2-oxo-heneicosanoic acid [ C21 H40 O3, overall=78.28, db=78.28, Lipid ID=LMFA01060135, METLIN ID=74773 ]			2-oxo-heneicosanoic acid	+	340.2975	1.1078436	78.28		(363.2876, 1201.2)(341.3052, 7850.4)(342.3071, 1998.1)(343.3029, 730.11)	FindByMolecularFeature	C21 H40 O3	32		LMFA01060135
2R-aminoheptanoic acid	2R-aminoheptanoic acid [ C7 H15 N O2, overall=99.84, db=99.84, METLIN ID=35932 ]			2R-aminoheptanoic acid	+	145.1102	6.6133432	99.84		(146.1176, 827435.3)(147.121, 65181.35)(148.1227, 5900.45)	FindByMolecularFeature	C7 H15 N O2	32
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid	3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid [ C24 H38 O4, overall=99.60, db=99.60, KEGG ID=C11637, METLIN ID=42805 ]			3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid	+	390.2769	1.0395312	99.6	C11637	(413.2658, 13255.94)(414.2695, 3933.24)(803.5426, 3297.22)(804.5504, 1606.9)(391.2846, 326167.38)(392.2877, 84763.43)(393.2912, 12164.3)(394.2936, 1889.53)	FindByMolecularFeature	C24 H38 O4	32
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.2441562	3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid [ C24 H38 O4, overall=99.53, db=99.53, KEGG ID=C11637, METLIN ID=42805 ]			3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.2441562	+	390.277	1.2441562	99.53	C11637	(413.266, 16759.73)(414.2714, 4803.08)(415.2742, 1214.74)(803.543, 45209.98)(804.5467, 24075.04)(805.5495, 7282.73)(806.5544, 1767.12)(391.2847, 402155.1)(392.2878, 107094.34)(393.291, 16236.51)(394.2954, 2608.23)(408.3108, 11637.35)(409.3128, 3732.8)(798.5882, 135633.42)(799.5914, 74029.57)(800.5949, 20705.35)(801.5963, 4363.62)(781.5612, 2098.56)(782.5633, 1439.72)	FindByMolecularFeature	C24 H38 O4	32
349.3191@1.1501563				349.3191@1.1501563	+	349.3191	1.1501563			(350.326, 10511.94)(351.3286, 2617.75)(352.321, 10693.5)(353.324, 2243.86)(354.3362, 10719.89)	FindByMolecularFeature		32
3-Acetamidopropanal +6.534374	3-Acetamidopropanal [ C5 H9 N O2, overall=87.10, db=87.10, KEGG ID=C18170, METLIN ID=72070 ]			3-Acetamidopropanal +6.534374	+	115.0632	6.534374	87.1	C18170	(138.0545, 1669.39)(116.0704, 122858.88)(117.0737, 8707.71)(231.1342, 661.59)	FindByMolecularFeature	C5 H9 N O2	32
3-ketosphingosine	3-ketosphingosine [ C18 H35 N O2, overall=79.76, db=79.76, CAS ID=19767-16-9, KEGG ID=C06121, METLIN ID=43208 ]	19767-16-9		3-ketosphingosine	+	297.2667	1.2032186	79.76	C06121	(320.2528, 1072.44)(298.2738, 12707.92)(299.2738, 3327.37)(300.2796, 952.25)	FindByMolecularFeature	C18 H35 N O2	32
3-Methylamino-1,2-propandiol +6.059719	3-Methylamino-1,2-propandiol [ C4 H11 N O2, overall=84.96, db=84.96, CAS ID=40137-22-2, METLIN ID=44718 ]	40137-22-2		3-Methylamino-1,2-propandiol +6.059719	+	105.0789	6.059719	84.96		(106.0862, 37186.54)(107.0892, 2866.48)	FindByMolecularFeature	C4 H11 N O2	32
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol +7.599687	4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol [ C6 H8 N2 O2, overall=99.45, db=99.45, CAS ID=64603-91-4, KEGG ID=C13693, METLIN ID=69640 ]	64603-91-4		4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol +7.599687	+	140.0586	7.599687	99.45	C13693	(163.0478, 2460.95)(141.0658, 1147148.0)(142.0692, 78741.05)(143.071, 6855.83)(144.0727, 591.56)(158.0921, 847.2)	FindByMolecularFeature	C6 H8 N2 O2	32
4-Methylaminobutyrate	4-Methylaminobutyrate [ C5 H11 N O2, overall=99.78, db=99.78, CAS ID=1119-48-8, KEGG ID=C15987, METLIN ID=63884 ]	1119-48-8		4-Methylaminobutyrate	+	117.079	1.5306872	99.78	C15987	(118.0863, 86297.3)(119.0892, 5356.72)(120.0904, 1021.14)	FindByMolecularFeature	C5 H11 N O2	32
521.5896@3.6069686				521.5896@3.6069686	+	521.5896	3.6069686			(522.5969, 30501.73)(523.6004, 12908.1)(524.6033, 2621.32)	FindByMolecularFeature		32
89.9692@5.6931877				89.9692@5.6931877	+	89.9692	5.6931877			(90.9765, 106705.63)(91.9801, 1502.5)(92.9809, 765.85)	FindByMolecularFeature		32
9,12-dioxo-dodecanoic acid	9,12-dioxo-dodecanoic acid [ C12 H20 O4, overall=85.53, db=85.53, Lipid ID=LMFA01060092, METLIN ID=74730 ]			9,12-dioxo-dodecanoic acid	+	206.1523	1.2618126	85.53		(229.1439, 63156.91)(230.1477, 8727.55)(207.1597, 27887.93)(208.157, 7565.88)(209.155, 3572.3)(210.157, 483.36)(224.1857, 16401.47)(225.1886, 2785.79)(226.182, 2047.08)(413.3186, 614.03)	FindByMolecularFeature	C12 H20 O4	32		LMFA01060092
Acetophenazine	Acetophenazine [ C23 H29 N3 O2 S, overall=87.94, db=87.94, CAS ID=2751-68-0, KEGG ID=C06807, METLIN ID=66555 ]	2751-68-0		Acetophenazine	+	433.1813	7.3440633	87.94	C06807	(434.1886, 82346.73)(435.1915, 17797.05)(436.1877, 8954.12)(437.1889, 1785.55)	FindByMolecularFeature	C23 H29 N3 O2 S	32
Acetylcholine	Acetylcholine [ C7 H16 N O2, overall=99.78, db=99.78, CAS ID=51-84-3, KEGG ID=C01996, METLIN ID=57, HMP ID=HMDB00895 ]	51-84-3		Acetylcholine	+	145.1102	7.4620314	99.78	C01996	(168.1004, 1741.04)(146.1175, 866853.2)(147.121, 69179.77)(148.1224, 5806.5)(291.2279, 2033.38)	FindByMolecularFeature	C7 H16 N O2	32	HMDB00895
allopurinol	allopurinol [ C5 H4 N4 O, overall=97.72, db=97.72, CAS ID=315-30-0, KEGG ID=C06816, METLIN ID=865 ]	315-30-0		allopurinol	+	136.0387	2.784438	97.72	C06816	(159.0279, 22130.76)(160.031, 1660.05)(295.0662, 3620.7)(137.046, 629824.1)(138.0493, 38959.97)(139.0513, 5469.44)(273.0846, 46527.65)(274.088, 5532.61)(275.0893, 1215.39)	FindByMolecularFeature	C5 H4 N4 O	32
Ascidiacyclamide	Ascidiacyclamide [ C36 H52 N8 O6 S2, overall=77.22, db=77.22, CAS ID=86701-12-4, KEGG ID=C15738, METLIN ID=71069 ]	86701-12-4		Ascidiacyclamide	+	756.3417	1.036406	77.22	C15738	(757.3484, 23493.08)(758.3524, 10159.69)(759.3549, 2968.64)(760.356, 1006.96)	FindByMolecularFeature	C36 H52 N8 O6 S2	32
Axisothiocyanate 3	Axisothiocyanate 3 [ C16 H25 N S, overall=66.39, db=66.39, CAS ID=59633-81-7, KEGG ID=C17007, METLIN ID=71497 ]	59633-81-7		Axisothiocyanate 3	+	263.1739	1.1822498	66.39	C17007	(286.1616, 1176.22)(264.181, 21646.54)(265.1839, 4470.15)(266.1857, 1120.36)(281.2097, 1121.68)	FindByMolecularFeature	C16 H25 N S	32
Bis (2-hydroxypropyl) amine	Bis (2-hydroxypropyl) amine [ C6 H15 N O2, overall=99.39, db=99.39, CAS ID=110-97-4, METLIN ID=44741 ]	110-97-4		Bis (2-hydroxypropyl) amine	+	133.1101	5.6760626	99.39		(156.0996, 99182.98)(157.1028, 7445.95)(289.2102, 5915.49)(290.2101, 1429.06)(134.1173, 1021406.9)(135.1209, 71881.19)(136.1227, 6454.97)(137.1238, 350.71)(267.228, 42328.66)(268.2309, 5753.14)(269.2326, 1185.26)	FindByMolecularFeature	C6 H15 N O2	32
B-Octylglucoside	B-Octylglucoside [ C14 H28 O6, overall=58.37, db=58.37, CAS ID=29836-26-8, METLIN ID=24055 ]	29836-26-8		B-Octylglucoside	+	292.1895	1.1951249	58.37		(293.1969, 11562.53)(294.203, 2870.97)(295.1908, 2094.08)(310.2237, 9589.22)(311.2244, 2629.81)(312.2234, 1218.61)	FindByMolecularFeature	C14 H28 O6	32
C10 H2 N3 O	[ C10 H2 N3 O, overall=39.49, db=0.00, mfg=78.97 ]			C10 H2 N3 O	+	180.0192	1.2446247	39.49		(203.008, 1194.51)(181.0265, 54310.16)(182.0296, 3807.92)(198.053, 37288.57)(199.0562, 2122.21)	FindByMolecularFeature	C10 H2 N3 O	32
C12 H2 N2 O12 S2	[ C12 H2 N2 O12 S2, overall=35.98, db=0.00, mfg=71.97 ]			C12 H2 N2 O12 S2	+	429.9061	5.6933117	35.98		(430.9134, 27040.8)(431.9164, 1852.99)(432.9175, 742.18)	FindByMolecularFeature	C12 H2 N2 O12 S2	32
C12 H26 O3 +1.1431875	[ C12 H26 O3, overall=46.89, db=0.00, mfg=93.78 ]			C12 H26 O3 +1.1431875	+	218.1885	1.1431875	46.89		(241.1799, 4066.4)(242.1794, 1709.99)(219.1957, 32442.88)(220.1996, 4273.68)(221.1926, 1023.59)(236.2223, 19046.98)(237.2248, 3359.42)(238.217, 1083.77)	FindByMolecularFeature	C12 H26 O3	32
C12 H26 O5	[ C12 H26 O5, overall=49.36, db=0.00, mfg=98.72 ]			C12 H26 O5	+	250.1785	1.3496249	49.36		(273.1706, 1492.69)(251.1858, 86090.8)(252.1892, 11855.54)(253.1888, 2205.41)(268.2128, 2885.52)(269.2088, 598.09)(270.2073, 728.18)	FindByMolecularFeature	C12 H26 O5	32
C12 H27 N	[ C12 H27 N, overall=43.56, db=0.00, mfg=87.12 ]			C12 H27 N	+	185.2147	3.965063	43.56		(186.2219, 14952.55)(187.2251, 2180.59)	FindByMolecularFeature	C12 H27 N	32
C13 H25 N O2	[ C13 H25 N O2, overall=49.09, db=0.00, mfg=98.18 ]			C13 H25 N O2	+	227.189	1.1392498	49.09		(250.1762, 1929.78)(228.1964, 131806.14)(229.1998, 20261.99)(230.2029, 2040.21)	FindByMolecularFeature	C13 H25 N O2	32
C13 H25 N O2 +1.2380625	[ C13 H25 N O2, overall=48.96, db=0.00, mfg=97.92 ]			C13 H25 N O2 +1.2380625	+	227.1892	1.2380625	48.96		(250.1777, 6027.01)(228.1965, 231694.12)(229.1996, 34075.03)(230.203, 3532.33)	FindByMolecularFeature	C13 H25 N O2	32
C13 H25 N O3	[ C13 H25 N O3, overall=48.69, db=0.00, mfg=97.38 ]			C13 H25 N O3	+	243.1839	1.1392499	48.69		(266.1712, 1020.87)(244.1912, 91813.04)(245.1946, 15796.11)(246.1976, 1715.27)	FindByMolecularFeature	C13 H25 N O3	32
C13 H28 S2	[ C13 H28 S2, overall=42.12, db=0.00, mfg=84.24 ]			C13 H28 S2	+	248.163	1.2597185	42.12		(271.1522, 1488.38)(249.1703, 20874.75)(250.1767, 5144.17)(251.1646, 3487.38)(266.1971, 6369.04)(267.1948, 1144.64)(268.1956, 876.94)	FindByMolecularFeature	C13 H28 S2	32
C13 H29 N	[ C13 H29 N, overall=49.96, db=0.00, mfg=99.92 ]			C13 H29 N	+	199.2301	4.128124	49.96		(200.2374, 79497.39)(201.2406, 11804.5)(202.244, 822.22)	FindByMolecularFeature	C13 H29 N	32
C14 H2 O8 S2	[ C14 H2 O8 S2, overall=37.88, db=0.00, mfg=75.76 ]			C14 H2 O8 S2	+	361.9188	5.6935	37.88		(362.9261, 28824.73)(363.929, 2079.41)(364.9309, 937.87)	FindByMolecularFeature	C14 H2 O8 S2	32
C14 H30 O3	[ C14 H30 O3, overall=49.46, db=0.00, mfg=98.91 ]			C14 H30 O3	+	246.22	1.1422187	49.46		(269.2095, 3783.3)(270.2105, 1097.19)(247.2273, 161397.78)(248.2305, 23100.42)(249.2312, 2687.28)(264.2538, 88705.75)(265.2569, 14593.14)(266.258, 2266.53)	FindByMolecularFeature	C14 H30 O3	32
C16 H26 N4 O	[ C16 H26 N4 O, overall=35.91, db=0.00, mfg=71.83 ]			C16 H26 N4 O	+	290.2101	1.1890312	35.91		(313.1963, 1098.7)(291.217, 8831.79)(292.2204, 2428.53)(308.244, 7797.19)(309.2456, 2747.39)	FindByMolecularFeature	C16 H26 N4 O	32
C16 H34 O3	[ C16 H34 O3, overall=49.56, db=0.00, mfg=99.11 ]			C16 H34 O3	+	274.251	1.1277502	49.56		(275.2581, 21494.24)(276.2614, 4832.09)(277.2637, 1017.47)(292.285, 19192.13)(293.2882, 3665.8)(294.2893, 565.73)	FindByMolecularFeature	C16 H34 O3	32
C16 H34 O4	[ C16 H34 O4, overall=49.80, db=0.00, mfg=99.61 ]			C16 H34 O4	+	290.2459	1.1793127	49.8		(291.2532, 119664.84)(292.2569, 21436.04)(293.2595, 3402.08)(308.2796, 178339.19)(309.2829, 34817.29)(310.2849, 4504.12)(311.29, 703.25)	FindByMolecularFeature	C16 H34 O4	32
C17 H36 O3	[ C17 H36 O3, overall=49.49, db=0.00, mfg=98.99 ]			C17 H36 O3	+	288.2663	1.1202812	49.49		(311.257, 1744.81)(312.2571, 807.38)(289.2723, 39789.84)(290.2764, 7725.93)(291.2787, 1258.8)(306.3004, 42640.24)(307.3037, 7731.02)(308.304, 1350.06)	FindByMolecularFeature	C17 H36 O3	32
C17 Sphinganine	C17 Sphinganine [ C17 H37 N O2, overall=80.48, db=80.48, Lipid ID=LMSP01040003, METLIN ID=41558 ]			C17 Sphinganine	+	287.2823	4.367563	80.48		(288.2895, 9026.0)(289.2935, 2166.47)	FindByMolecularFeature	C17 H37 N O2	32		LMSP01040003
C18 H37 N O4	[ C18 H37 N O4, overall=49.78, db=0.00, mfg=99.56 ]			C18 H37 N O4	+	331.2724	1.1469685	49.78		(354.2658, 1631.92)(332.2796, 1134921.5)(333.2834, 236314.31)(334.286, 30742.02)(335.2894, 3924.51)	FindByMolecularFeature	C18 H37 N O4	32
C18 N O19 S	[ C18 N O19 S, overall=33.01, db=0.00, mfg=66.01 ]			C18 N O19 S	+	565.8809	5.691124	33.01		(566.8882, 14979.51)(567.8921, 1200.28)(568.891, 622.56)	FindByMolecularFeature	C18 N O19 S	32
C19 H39 Cl N5	[ C19 H39 Cl N5, overall=35.63, db=0.00, mfg=71.26 ]			C19 H39 Cl N5	+	372.2875	1.1285312	35.63		(395.2765, 4344.58)(396.2809, 1657.83)(397.2873, 1006.54)(373.2946, 13273.78)(374.2991, 4095.14)(375.2914, 4328.5)(390.3214, 16421.47)(391.3239, 5370.74)(392.3142, 6353.29)	FindByMolecularFeature	C19 H39 Cl N5	32
C20 H41 N O5	[ C20 H41 N O5, overall=49.96, db=0.00, mfg=99.92 ]			C20 H41 N O5	+	375.2985	1.1824061	49.96		(398.2879, 1037.79)(376.3059, 824502.9)(377.3093, 185912.03)(378.3117, 28960.36)(379.3141, 2683.04)	FindByMolecularFeature	C20 H41 N O5	32
C21 H43 N8 O7	[ C21 H43 N8 O7, overall=49.79, db=0.00, mfg=99.58 ]			C21 H43 N8 O7	+	519.3252	4.5884066	49.79		(520.3325, 140784.92)(521.3358, 36944.02)(522.3383, 7426.04)(523.3428, 1120.16)	FindByMolecularFeature	C21 H43 N8 O7	32
C23 H41 N	[ C23 H41 N, overall=49.81, db=0.00, mfg=99.62 ]			C23 H41 N	+	331.3239	3.8800006	49.81		(332.3309, 25370.11)(333.3343, 6584.54)(334.3371, 952.88)	FindByMolecularFeature	C23 H41 N	32
C23 H47 N8 O8	[ C23 H47 N8 O8, overall=49.53, db=0.00, mfg=99.06 ]			C23 H47 N8 O8	+	563.3515	4.853094	49.53		(564.3588, 131522.89)(565.3618, 35303.74)(566.3641, 8362.1)(567.3661, 1206.93)	FindByMolecularFeature	C23 H47 N8 O8	32
C24 H47 N O	[ C24 H47 N O, overall=41.23, db=0.00, mfg=82.46 ]			C24 H47 N O	+	365.3655	1.0734062	41.23		(366.3728, 8880.6)(367.3769, 2542.81)	FindByMolecularFeature	C24 H47 N O	32
C25 H45 N	[ C25 H45 N, overall=42.11, db=0.00, mfg=84.23 ]			C25 H45 N	+	359.3552	3.8437498	42.11		(360.3624, 16172.41)(361.3657, 4335.89)	FindByMolecularFeature	C25 H45 N	32
C25 H51 N8 O9	[ C25 H51 N8 O9, overall=49.68, db=0.00, mfg=99.36 ]			C25 H51 N8 O9	+	607.3776	5.0537806	49.68		(608.3851, 108138.73)(609.3884, 31517.52)(610.3905, 7044.39)(611.3944, 957.17)	FindByMolecularFeature	C25 H51 N8 O9	32
C26 H17 Cl N7	[ C26 H17 Cl N7, overall=40.45, db=0.00, mfg=80.90 ]			C26 H17 Cl N7	+	462.1233	1.0466253	40.45		(485.112, 1028.97)(463.1305, 50310.76)(464.1316, 22940.19)(465.1295, 14532.41)(466.1297, 4894.66)(480.1571, 21958.72)(481.1581, 9750.15)(482.1558, 7350.89)(483.1565, 2271.61)	FindByMolecularFeature	C26 H17 Cl N7	32
C27 H36 N14 O5	[ C27 H36 N14 O5, overall=49.28, db=0.00, mfg=98.56 ]			C27 H36 N14 O5	+	636.2988	1.0373125	49.28		(659.2866, 3884.85)(660.2899, 1815.65)(661.2941, 629.78)(637.3056, 130605.34)(638.3091, 47204.89)(639.3125, 9913.11)(640.3154, 1841.28)(654.3327, 558878.8)(655.3357, 213363.75)(656.3383, 47909.85)(657.3411, 8128.71)(658.3433, 798.03)(1290.6289, 15500.19)(1291.6311, 14090.55)(1292.6343, 5056.49)(1293.637, 1521.19)(1273.6025, 2214.16)(1274.6074, 2151.41)(1275.6104, 849.02)	FindByMolecularFeature	C27 H36 N14 O5	32
C27 H55 N8 O10	[ C27 H55 N8 O10, overall=49.51, db=0.00, mfg=99.01 ]			C27 H55 N8 O10	+	651.4038	5.2237506	49.51		(652.4111, 68992.48)(653.4142, 21501.48)(654.4171, 5548.05)(655.4188, 807.23)	FindByMolecularFeature	C27 H55 N8 O10	32
C29 H43 N15 O5	[ C29 H43 N15 O5, overall=48.53, db=0.00, mfg=97.07 ]			C29 H43 N15 O5	+	681.3557	1.03775	48.53		(682.3633, 47316.32)(683.3666, 18770.69)(684.3698, 4688.14)(685.3699, 845.11)	FindByMolecularFeature	C29 H43 N15 O5	32
C30 H43 N2 O S	[ C30 H43 N2 O S, overall=37.90, db=0.00, mfg=75.80 ]			C30 H43 N2 O S	+	479.3094	1.1079062	37.9		(480.3166, 3794.86)(481.3226, 1560.94)(482.3176, 914.13)	FindByMolecularFeature	C30 H43 N2 O S	32
C38 H79 N	[ C38 H79 N, overall=49.71, db=0.00, mfg=99.43 ]			C38 H79 N	+	549.6211	3.6132815	49.71		(550.6287, 207462.56)(551.6318, 83497.84)(552.635, 17234.18)(553.6379, 2593.23)	FindByMolecularFeature	C38 H79 N	32
C43 H79 N11 O4 S	[ C43 H79 N11 O4 S, overall=47.89, db=0.00, mfg=95.77 ]			C43 H79 N11 O4 S	+	845.6044	1.1079375	47.89		(846.6113, 8361.45)(847.6137, 4079.08)(848.6147, 1564.66)	FindByMolecularFeature	C43 H79 N11 O4 S	32
C44 H32 Cl N2	[ C44 H32 Cl N2, overall=42.05, db=0.00, mfg=84.11 ]			C44 H32 Cl N2	+	623.2287	1.0166564	42.05		(624.2364, 6499.54)(625.2376, 3647.92)(626.2323, 2982.28)(627.2319, 1256.0)	FindByMolecularFeature	C44 H32 Cl N2	32
C47 H28 Cl	[ C47 H28 Cl, overall=43.99, db=0.00, mfg=87.98 ]			C47 H28 Cl	+	627.1877	1.0313437	43.99		(628.1946, 25625.27)(629.1954, 14255.7)(630.1934, 12032.12)(631.1933, 4563.53)	FindByMolecularFeature	C47 H28 Cl	32
C47 H56 N3	[ C47 H56 N3, overall=47.63, db=0.00, mfg=95.26 ]			C47 H56 N3	+	662.4466	1.024375	47.63		(663.4537, 10659.08)(664.4576, 5019.38)(665.4614, 1553.0)(680.4799, 2325.62)	FindByMolecularFeature	C47 H56 N3	32
C5 H11 N6 O	[ C5 H11 N6 O, overall=45.87, db=0.00, mfg=91.74 ]			C5 H11 N6 O	+	171.0992	5.8307495	45.87		(194.0889, 738.41)(172.1065, 55654.49)(173.1106, 2169.87)(174.1123, 1002.08)	FindByMolecularFeature	C5 H11 N6 O	32
C56 H36 Cl S	[ C56 H36 Cl S, overall=40.76, db=0.00, mfg=81.52 ]			C56 H36 Cl S	+	775.2256	1.0202502	40.76		(776.2347, 6216.71)(777.2345, 4785.42)(778.2308, 4110.17)(779.2301, 2174.48)(780.2284, 1328.81)	FindByMolecularFeature	C56 H36 Cl S	32
C6 H14 O4	[ C6 H14 O4, overall=49.56, db=0.00, mfg=99.12 ]			C6 H14 O4	+	150.0894	1.7068129	49.56		(173.0791, 8691.12)(174.0826, 1080.23)(323.1666, 867.94)(151.0966, 87421.89)(152.1008, 5916.59)(153.099, 1207.65)(168.1232, 38577.54)(169.1267, 3677.56)(170.1209, 748.77)	FindByMolecularFeature	C6 H14 O4	32
C8 H18 O3	[ C8 H18 O3, overall=49.39, db=0.00, mfg=98.78 ]			C8 H18 O3	+	162.126	1.2223437	49.39		(185.1164, 841.02)(163.1332, 58468.12)(164.1366, 5380.28)(165.1358, 1212.54)(180.1597, 8941.92)(181.1621, 2104.88)	FindByMolecularFeature	C8 H18 O3	32
C8 H18 O5	[ C8 H18 O5, overall=48.41, db=0.00, mfg=96.83 ]			C8 H18 O5	+	194.1158	1.8671565	48.41		(217.1051, 2283.13)(195.1231, 145222.77)(196.1273, 15415.57)(197.1293, 2636.64)(212.1497, 19630.33)(213.155, 2494.91)(214.1553, 598.22)	FindByMolecularFeature	C8 H18 O5	32
C9 H20 O4	[ C9 H20 O4, overall=37.27, db=0.00, mfg=74.55 ]			C9 H20 O4	+	192.1364	1.38675	37.27		(215.1264, 4452.44)(216.1283, 1451.9)(193.1435, 22155.53)(194.1478, 2405.86)(195.1319, 1636.98)(210.1704, 10680.03)(211.1715, 1385.02)(212.1648, 1095.32)	FindByMolecularFeature	C9 H20 O4	32
Camptothecin	Camptothecin [ C20 H16 N2 O4, overall=57.28, db=57.28, CAS ID=7689-03-4, KEGG ID=C01897, METLIN ID=3491 ]	3/4/7689		Camptothecin	+	370.094	1.0401878	57.28	C01897	(371.1013, 127389.79)(372.102, 42407.07)(373.0997, 29079.7)(374.1, 7215.88)(741.1955, 1325.6)	FindByMolecularFeature	C20 H16 N2 O4	32
Cassaidine +1.2145312	Cassaidine [ C24 H41 N O4, overall=99.63, db=99.63, CAS ID=26296-41-3, KEGG ID=C08669, METLIN ID=67104 ]	26296-41-3		Cassaidine +1.2145312	+	407.3036	1.2145312	99.63	C08669	(408.3109, 81842.7)(409.314, 21789.49)(410.3181, 3991.32)	FindByMolecularFeature	C24 H41 N O4	32
cis-Caryophyllene	cis-Caryophyllene [ C14 H22, overall=98.30, db=98.30, CAS ID=13877-93-5, METLIN ID=44280 ]	13877-93-5		cis-Caryophyllene	+	190.1724	1.1468748	98.3		(403.3333, 738.68)(191.1798, 884131.56)(192.1833, 143059.6)(193.1917, 12489.57)(194.1987, 1122.83)(208.2052, 2431.83)	FindByMolecularFeature	C14 H22	32
DG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	DG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) [ C43 H72 O5, overall=89.93, db=89.93, METLIN ID=58789, HMP ID=HMDB07207 ]			DG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	+	685.5667	1.1210625	89.93		(686.574, 11984.88)(687.5768, 5059.07)(688.5822, 1393.35)	FindByMolecularFeature	C43 H72 O5	32	HMDB07207
DG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]	DG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] [ C47 H80 O5, overall=85.64, db=85.64, Lipid ID=LMGL02010293, CAS ID=, METLIN ID=4668 ]			DG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]	+	741.6303	1.1071564	85.64		(742.6377, 255237.72)(743.6404, 115997.71)(744.6426, 29324.6)(745.6461, 6194.44)(746.6447, 1113.98)	FindByMolecularFeature	C47 H80 O5	32		LMGL02010293
DG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	DG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) [ C49 H84 O5, overall=81.91, db=81.91, METLIN ID=59305, HMP ID=HMDB07845 ]			DG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	+	769.661	1.1015	81.91		(770.6677, 8640.06)(771.6677, 3889.78)(772.6698, 1615.34)	FindByMolecularFeature	C49 H84 O5	32	HMDB07845
Diisobutyl phthalate	Diisobutyl phthalate [ C16 H22 O4, overall=98.56, db=98.56, CAS ID=84-69-5, KEGG ID=C15205, METLIN ID=70692 ]	84-69-5		Diisobutyl phthalate	+	278.1521	1.0610003	98.56	C15205	(279.1593, 45948.07)(280.1631, 8267.57)(281.1674, 1557.53)	FindByMolecularFeature	C16 H22 O4	32
DMPO	DMPO [ C6 H11 N O, overall=99.82, db=99.82, CAS ID=3317-61-1, METLIN ID=64638 ]	3317-61-1		DMPO	+	113.0839	1.5740005	99.82		(249.1543, 1021.03)(114.0913, 189390.73)(115.0947, 12963.19)(116.0992, 1092.62)(227.1761, 2736.46)	FindByMolecularFeature	C6 H11 N O	32
Homochelidonine	Homochelidonine [ C21 H23 N O5, overall=86.16, db=86.16, CAS ID=476-33-5, KEGG ID=C12257, METLIN ID=69399 ]	476-33-5		Homochelidonine	+	386.1853	1.1663439	86.16	C12257	(387.1924, 12423.82)(388.1956, 2267.79)(389.1963, 940.71)	FindByMolecularFeature	C21 H23 N O5	32
L-Alanine, N-propyl-	L-Alanine, N-propyl- [ C6 H13 N O2, overall=86.92, db=86.92, CAS ID=13013-28-0, METLIN ID=2074 ]	13013-28-0		L-Alanine, N-propyl-	+	131.0949	1.6636249	86.92		(154.085, 1846.04)(132.1023, 550027.94)(133.1054, 40202.23)(263.195, 644.38)	FindByMolecularFeature	C6 H13 N O2	32
Linoleamide +1.2476562	Linoleamide [ C18 H33 N O, overall=81.00, db=81.00, Lipid ID=LMFA08010008, CAS ID=, METLIN ID=43435 ]			Linoleamide +1.2476562	+	279.2564	1.2476562	81		(280.2636, 17290.22)(281.267, 4349.87)	FindByMolecularFeature	C18 H33 N O	32		LMFA08010008
Methacholine	Methacholine [ C8 H18 N O2, overall=99.90, db=99.90, CAS ID=62-51-1, KEGG ID=C07471, METLIN ID=43545 ]	62-51-1		Methacholine	+	159.1259	6.9397817	99.9	C07471	(182.1129, 1641.05)(160.1333, 1024980.25)(161.1366, 93306.01)(162.1383, 8667.17)	FindByMolecularFeature	C8 H18 N O2	32
MG(0:0/18:0/0:0)	MG(0:0/18:0/0:0) [ C21 H42 O4, overall=98.87, db=98.87, METLIN ID=62319, HMP ID=HMDB11535 ]			MG(0:0/18:0/0:0)	+	358.3082	1.108125	98.87		(381.2978, 11594.91)(382.3047, 4118.36)(739.606, 1767.19)(740.612, 1725.81)(359.3156, 42055.96)(360.319, 9605.21)(361.32, 2015.67)(376.3419, 33324.09)(377.345, 8724.23)(378.3454, 2211.74)	FindByMolecularFeature	C21 H42 O4	32	HMDB11535
MID42021:(22E)-26,26,26,27,27,27-hexafluoro-25-hydroxy-22,23-didehydrovitamin D3 / (22E)-26,26,26,27 +1.3370001	MID42021:(22E)-26,26,26,27,27,27-hexafluoro-25-hydroxy-22,23-didehydrovitamin D3 / (22E)-26,26,26,27 [ C27 H36 F6 O2, overall=73.28, db=73.28, Lipid ID=LMST03020081, METLIN ID=42021 ]			MID42021:(22E)-26,26,26,27,27,27-hexafluoro-25-hydroxy-22,23-didehydrovitamin D3 / (22E)-26,26,26,27 +1.3370001	+	528.2416	1.3370001	73.28		(529.2489, 13601.72)(530.2516, 5531.46)(531.2547, 1637.58)(532.2493, 223.61)	FindByMolecularFeature	C27 H36 F6 O2	32		LMST03020081
N1,N4-Diacetylsulfanilamide	N1,N4-Diacetylsulfanilamide [ C10 H12 N2 O4 S, overall=69.26, db=69.26, CAS ID=5626-90-4, METLIN ID=2528 ]	5626-90-4		N1,N4-Diacetylsulfanilamide	+	256.0505	1.1236874	69.26		(257.0578, 3375.55)(258.0612, 683.07)(274.0842, 7020.81)(275.0881, 883.53)	FindByMolecularFeature	C10 H12 N2 O4 S	32
n-Butylbenzene	n-Butylbenzene [ C10 H14, overall=97.73, db=97.73, CAS ID=104-51-8, KEGG ID=C18150, METLIN ID=72067 ]	104-51-8		n-Butylbenzene	+	134.1098	1.1467187	97.73	C18150	(135.117, 204808.81)(136.1204, 23926.99)(137.1309, 3205.0)	FindByMolecularFeature	C10 H14	32
Netilmicin	Netilmicin [ C21 H41 N5 O7, overall=95.93, db=95.93, CAS ID=, KEGG ID=C07657, METLIN ID=43274 ]			Netilmicin	+	475.299	4.2888126	95.93	C07657	(476.3067, 195144.62)(477.3096, 44811.36)(478.3122, 9017.71)(479.314, 1180.53)	FindByMolecularFeature	C21 H41 N5 O7	32
Pantothenic Acid	Pantothenic Acid [ C9 H17 N O5, overall=98.44, db=98.44, CAS ID=137-08-6, KEGG ID=C00864, METLIN ID=241 ]	137-08-6		Pantothenic Acid	+	219.1111	2.4959998	98.44	C00864	(242.1, 6124.3)(243.1056, 854.56)(220.1184, 108582.58)(221.1221, 11479.87)(222.1231, 1869.47)	FindByMolecularFeature	C9 H17 N O5	32
PG(12:0/15:0)	PG(12:0/15:0) [ C33 H65 O10 P, overall=69.99, db=69.99, Lipid ID=LMGP04010047, METLIN ID=78872 ]			PG(12:0/15:0)	+	669.4609	1.0275002	69.99		(670.4677, 9184.04)(671.4708, 4314.63)(672.4811, 1434.67)	FindByMolecularFeature	C33 H65 O10 P	32		LMGP04010047
PG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	PG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) [ C26 H43 O9 P, overall=85.00, db=85.00, Lipid ID=LMGP04050030, METLIN ID=80018 ]			PG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	+	530.2667	1.0436875	85		(531.274, 33031.13)(532.2771, 11463.98)(533.2816, 2831.79)(548.3007, 29480.99)(549.3037, 11543.91)(550.3073, 2349.87)	FindByMolecularFeature	C26 H43 O9 P	32		LMGP04050030
PI(22:0/18:3(9Z,12Z,15Z))	PI(22:0/18:3(9Z,12Z,15Z)) [ C49 H89 O13 P, overall=90.33, db=90.33, Lipid ID=LMGP06010681, METLIN ID=80703 ]			PI(22:0/18:3(9Z,12Z,15Z))	+	933.6325	1.0129687	90.33		(934.64, 8292.71)(935.6427, 4951.42)(936.6447, 1846.17)	FindByMolecularFeature	C49 H89 O13 P	32		LMGP06010681
Pirimicarb	Pirimicarb [ C11 H18 N4 O2, overall=94.41, db=94.41, CAS ID=23103-98-2, KEGG ID=C11079, METLIN ID=68822 ]	23103-98-2		Pirimicarb	+	238.142	2.2457814	94.41	C11079	(239.1493, 36196.59)(240.1524, 4230.02)(241.1541, 894.29)(256.1758, 20935.8)(257.1791, 2852.02)(258.1787, 720.97)	FindByMolecularFeature	C11 H18 N4 O2	32
Tetradecylamine	Tetradecylamine [ C14 H31 N, overall=97.87, db=97.87, CAS ID=2016-42-4, METLIN ID=3313 ]	2016-42-4		Tetradecylamine	+	213.2458	4.105438	97.87		(214.2533, 39887.11)(215.2568, 5949.11)(216.2597, 1108.95)	FindByMolecularFeature	C14 H31 N	32
Tributyl phosphate	Tributyl phosphate [ C12 H27 O4 P, overall=96.57, db=96.57, CAS ID=126-73-8, KEGG ID=C14439, METLIN ID=70062 ]	126-73-8		Tributyl phosphate	+	266.1652	1.1108124	96.57	C14439	(289.1518, 666.94)(267.1724, 90977.58)(268.1764, 12661.06)(269.1809, 3022.93)	FindByMolecularFeature	C12 H27 O4 P	32
?-Hexalactone	?-Hexalactone [ C6 H10 O2, overall=73.53, db=73.53, CAS ID=823-22-3, METLIN ID=5442, HMP ID=HMDB00453 ]	823-22-3		?-Hexalactone	+	114.0684	1.2515805	73.53		(251.1261, 15281.27)(252.1293, 3076.64)(115.0756, 5861.75)(116.0742, 783.2)(117.0681, 316.54)(132.1019, 3565.71)(246.1703, 10814.22)(247.1704, 2485.79)(248.1582, 789.5)(229.144, 3329.1)(230.1425, 1049.04)(231.1467, 646.32)	FindByMolecularFeature	C6 H10 O2	31	HMDB00453
1,4'-Bipiperidine-1'-carboxylic acid	1,4'-Bipiperidine-1'-carboxylic acid [ C11 H20 N2 O2, overall=99.18, db=99.18, CAS ID=1026078-50-1, KEGG ID=C16836, METLIN ID=71375 ]	1026078-50-1		1,4'-Bipiperidine-1'-carboxylic acid	+	229.1792	7.1219683	99.18	C16836	(230.1865, 174903.0)(231.1898, 21720.6)(232.1915, 2349.27)	FindByMolecularFeature	C11 H20 N2 O2	31
1-Hexadecylamine +4.050226	1-Hexadecylamine [ C16 H35 N, overall=77.59, db=77.59, CAS ID=143-27-1, METLIN ID=4110 ]	143-27-1		1-Hexadecylamine +4.050226	+	241.2773	4.050226	77.59		(242.2845, 10084.03)(243.2876, 2509.21)	FindByMolecularFeature	C16 H35 N	31
2-(1-Aziridinyl)ethanol	2-(1-Aziridinyl)ethanol [ C4 H9 N O, overall=87.63, db=87.63, CAS ID=1072-52-2, KEGG ID=C19332, METLIN ID=73039 ]	1072-52-2		2-(1-Aziridinyl)ethanol	+	87.0686	5.4184523	87.63	C19332	(88.0758, 293167.16)(89.0788, 16767.63)	FindByMolecularFeature	C4 H9 N O	31
2-Amino-3-methyl-1-butanol	2-Amino-3-methyl-1-butanol [ C5 H13 N O, overall=87.88, db=87.88, CAS ID=473-75-6, METLIN ID=44703 ]	473-75-6		2-Amino-3-methyl-1-butanol	+	103.0995	5.9565816	87.88		(104.1069, 134064.53)(105.1103, 7816.35)	FindByMolecularFeature	C5 H13 N O	31
3-Dehydrocarnitine	3-Dehydrocarnitine [ C7 H14 N O3, overall=97.81, db=97.81, CAS ID=10457-99-5, KEGG ID=C02636, METLIN ID=958 ]	10457-99-5		3-Dehydrocarnitine	+	159.0898	1.9115804	97.81	C02636	(182.0801, 4356.94)(183.0837, 815.32)(341.1708, 646.69)(160.0971, 65082.7)(161.1005, 5795.13)(162.1064, 1257.34)	FindByMolecularFeature	C7 H14 N O3	31
4-Amino-2-methyl-5-phosphomethylpyrimidine	4-Amino-2-methyl-5-phosphomethylpyrimidine [ C6 H10 N3 O4 P, overall=53.79, db=53.79, CAS ID=945-94-8, KEGG ID=C04556, METLIN ID=3353 ]	945-94-8		4-Amino-2-methyl-5-phosphomethylpyrimidine	+	236.0657	1.8916126	53.79	C04556	(237.0729, 30870.43)(238.0759, 3971.27)(239.071, 3014.3)	FindByMolecularFeature	C6 H10 N3 O4 P	31
697.2474@1.0147418				697.2474@1.0147418	+	697.2474	1.0147418			(698.2561, 4458.27)(699.256, 2914.23)(700.2363, 17057.99)(701.2361, 11358.01)	FindByMolecularFeature		31
Arabinosylhypoxanthine	Arabinosylhypoxanthine [ C10 H12 N4 O5, overall=98.39, db=98.39, CAS ID=7013-16-3, METLIN ID=3022, HMP ID=HMDB03040 ]	7013-16-3		Arabinosylhypoxanthine	+	268.0813	3.0100007	98.39		(291.0701, 12254.69)(292.0736, 1628.77)(559.1508, 1941.56)(269.0885, 34641.0)(270.0914, 4371.99)(271.0947, 958.57)(537.1685, 5554.34)(538.1731, 1234.89)	FindByMolecularFeature	C10 H12 N4 O5	31	HMDB03040
C12 H24 O S	[ C12 H24 O S, overall=45.15, db=0.00, mfg=90.29 ]			C12 H24 O S	+	216.1558	1.2715807	45.15		(217.163, 14252.15)(218.1665, 2371.8)(219.1616, 1308.27)	FindByMolecularFeature	C12 H24 O S	31
C12 H26 O3	[ C12 H26 O3, overall=42.40, db=0.00, mfg=84.79 ]			C12 H26 O3	+	218.1885	1.090774	42.4		(241.1802, 1383.56)(242.1773, 656.97)(219.1957, 17161.12)(220.2002, 2314.67)(236.2223, 13657.77)(237.2243, 2494.98)	FindByMolecularFeature	C12 H26 O3	31
C20 H41 N O4	[ C20 H41 N O4, overall=49.59, db=0.00, mfg=99.18 ]			C20 H41 N O4	+	359.3039	1.1478386	49.59		(382.2974, 1524.92)(360.3111, 59720.99)(361.3143, 12879.19)(362.3178, 2439.09)	FindByMolecularFeature	C20 H41 N O4	31
C28 H38 O10	[ C28 H38 O10, overall=46.39, db=0.00, mfg=92.78 ]			C28 H38 O10	+	534.2474	1.1561935	46.39		(535.2545, 8609.37)(536.2578, 2807.72)(537.2615, 1034.1)	FindByMolecularFeature	C28 H38 O10	31
C30 H65 N14 O2	[ C30 H65 N14 O2, overall=46.53, db=0.00, mfg=93.06 ]			C30 H65 N14 O2	+	653.5405	1.1192257	46.53		(654.5475, 10111.46)(655.5512, 3796.44)(656.5564, 1053.53)	FindByMolecularFeature	C30 H65 N14 O2	31
C4 N O4 S	[ C4 N O4 S, overall=35.68, db=0.00, mfg=71.36 ]			C4 N O4 S	+	157.9568	5.693129	35.68		(158.9641, 67196.31)(159.9675, 2319.56)(160.9685, 644.88)	FindByMolecularFeature	C4 N O4 S	31
C40 H36 Cl N5 O S2	[ C40 H36 Cl N5 O S2, overall=45.79, db=0.00, mfg=91.58 ]			C40 H36 Cl N5 O S2	+	701.2066	1.0253223	45.79		(702.2135, 10570.44)(703.2141, 6086.78)(704.2125, 5876.19)(705.212, 2204.12)(706.209, 1265.49)	FindByMolecularFeature	C40 H36 Cl N5 O S2	31
C42 H80 N3 O3 S	[ C42 H80 N3 O3 S, overall=44.24, db=0.00, mfg=88.47 ]			C42 H80 N3 O3 S	+	706.5924	1.1071935	44.24		(707.5993, 3859.52)(708.6016, 1702.82)(709.6097, 666.1)	FindByMolecularFeature	C42 H80 N3 O3 S	31
Chloromebuform	Chloromebuform [ C13 H19 Cl N2, overall=61.11, db=61.11, CAS ID=37407-77-5, KEGG ID=C19037, METLIN ID=72788 ]	37407-77-5		Chloromebuform	+	238.1227	1.1336775	61.11	C19037	(261.1119, 1939.24)(262.1224, 597.5)(239.13, 12413.45)(240.1338, 1707.65)(241.1392, 783.03)(256.1535, 1151.46)	FindByMolecularFeature	C13 H19 Cl N2	31
Conhydrine	Conhydrine [ C8 H17 N O, overall=98.73, db=98.73, CAS ID=495-20-5, KEGG ID=C19983, METLIN ID=73470 ]	495-20-5		Conhydrine	+	160.1576	9.170292	98.73	C19983	(161.1648, 57795.64)(162.1683, 6354.49)(163.1704, 541.22)	FindByMolecularFeature	C8 H17 N O	31
cyclohexylammonium	cyclohexylammonium [ C6 H13 N, overall=87.77, db=87.77, CAS ID=108-91-8, KEGG ID=C00571, METLIN ID=4139 ]	108-91-8		cyclohexylammonium	+	99.1047	5.1648383	87.77	C00571	(100.112, 44814.23)(101.1148, 3360.83)	FindByMolecularFeature	C6 H13 N	31
Dihydrojasmonic Acid, Methyl Ester	Dihydrojasmonic Acid, Methyl Ester [ C13 H22 O3, overall=64.19, db=64.19, CAS ID=24851-98-7, METLIN ID=43916 ]	24851-98-7		Dihydrojasmonic Acid, Methyl Ester	+	226.1574	1.2775807	64.19		(475.3038, 1065.75)(227.1645, 9615.83)(228.1666, 1147.7)(229.1667, 1608.84)(244.1914, 2084.29)(453.3207, 852.3)	FindByMolecularFeature	C13 H22 O3	31
E-64	E-64 [ C15 H27 N5 O5, overall=78.05, db=78.05, CAS ID=66701-25-5, KEGG ID=C01341, METLIN ID=44981 ]	66701-25-5		E-64	+	357.1996	6.238741	78.05	C01341	(358.2074, 9869.01)(359.2098, 2190.62)	FindByMolecularFeature	C15 H27 N5 O5	31
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate	Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate [ C24 H30 O6, overall=99.46, db=99.46, KEGG ID=C15440, METLIN ID=70909 ]			Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate	+	414.2044	1.1149678	99.46	C15440	(437.1934, 11268.36)(438.1973, 3876.59)(439.2024, 998.54)(415.2117, 301650.8)(416.2148, 75862.23)(417.2178, 14612.26)(418.2232, 1573.73)(432.2381, 37796.98)(433.2417, 10323.15)(434.2455, 2341.46)	FindByMolecularFeature	C24 H30 O6	31
l-2-hydroxy-decanoic acid	l-2-hydroxy-decanoic acid [ C10 H20 O3, overall=89.83, db=89.83, METLIN ID=35599 ]			l-2-hydroxy-decanoic acid	+	188.1416	1.5559678	89.83		(399.2712, 593.06)(189.1489, 13986.26)(190.1526, 1357.67)(191.1494, 682.4)	FindByMolecularFeature	C10 H20 O3	31
Linoleamide +1.1988064	Linoleamide [ C18 H33 N O, overall=69.42, db=69.42, Lipid ID=LMFA08010008, CAS ID=, METLIN ID=43435 ]			Linoleamide +1.1988064	+	279.2558	1.1988064	69.42		(280.263, 10060.36)(281.2618, 2287.01)	FindByMolecularFeature	C18 H33 N O	31		LMFA08010008
Lumula	Lumula [ C24 H43 N O4, overall=99.19, db=99.19, METLIN ID=45688 ]			Lumula	+	409.3192	1.335484	99.19		(841.6205, 629.27)(410.3265, 76445.84)(411.3297, 19147.4)(412.3332, 3434.82)(413.3357, 492.79)	FindByMolecularFeature	C24 H43 N O4	31
Lys Glu Gln	Lys Glu Gln [ C16 H29 N5 O7, overall=41.19, db=41.19, METLIN ID=16199 ]			Lys Glu Gln	+	403.2022	1.1671289	41.19		(404.21, 3565.22)(405.2168, 753.11)(406.214, 759.03)	FindByMolecularFeature	C16 H29 N5 O7	31
MG(16:0/0:0/0:0)[rac]	MG(16:0/0:0/0:0)[rac] [ C19 H38 O4, overall=41.83, db=41.83, Lipid ID=LMGL01010001, METLIN ID=75555 ]			MG(16:0/0:0/0:0)[rac]	+	330.2761	1.1182904	41.83		(353.2645, 1681.61)(331.2829, 6567.78)(348.3111, 3810.07)(349.3139, 1607.38)	FindByMolecularFeature	C19 H38 O4	31		LMGL01010001
N-methylundec-10-enamide	N-methylundec-10-enamide [ C12 H23 N O, overall=98.09, db=98.09, METLIN ID=65467 ]			N-methylundec-10-enamide	+	197.1783	1.2440321	98.09		(198.1856, 56141.66)(199.1884, 7715.15)(200.1933, 1422.16)	FindByMolecularFeature	C12 H23 N O	31
Oleamide	Oleamide [ C18 H35 N O, overall=86.10, db=86.10, CAS ID=301-02-0, KEGG ID=C19670, METLIN ID=4115 ]	301-02-0		Oleamide	+	281.2721	1.1569031	86.1	C19670	(282.2794, 49255.85)(283.2825, 10236.2)(563.5516, 2614.72)	FindByMolecularFeature	C18 H35 N O	31
para-Benzoquinone dioxime	para-Benzoquinone dioxime [ C6 H6 N2 O2, overall=99.05, db=99.05, CAS ID=105-11-3, KEGG ID=C19345, METLIN ID=73051 ]	105-11-3		para-Benzoquinone dioxime	+	138.0432	2.6936452	99.05	C19345	(139.0505, 302077.2)(140.0537, 22040.74)(141.0568, 1888.3)	FindByMolecularFeature	C6 H6 N2 O2	31
Perflubron	Perflubron [ C8 Br F17, overall=57.76, db=57.76, CAS ID=, METLIN ID=43303 ]			Perflubron	+	497.8935	5.693806	57.76		(498.9007, 18288.91)(499.9046, 1449.88)(500.9042, 848.69)	FindByMolecularFeature	C8 Br F17	31
PG(12:0/17:0)	PG(12:0/17:0) [ C35 H69 O10 P, overall=86.93, db=86.93, Lipid ID=LMGP04010050, METLIN ID=78875 ]			PG(12:0/17:0)	+	680.4651	1.0235486	86.93		(681.4746, 4283.84)(682.4727, 2991.92)(698.499, 56947.05)(699.5021, 26946.18)(700.5065, 6970.3)(701.5104, 1367.56)	FindByMolecularFeature	C35 H69 O10 P	31		LMGP04010050
Poloxalene	Poloxalene [ C7 H16 O4, overall=22.39, db=22.39, CAS ID=, METLIN ID=43312 ]			Poloxalene	+	164.105	1.4360646	22.39		(165.1124, 4767.56)(166.1098, 956.53)(167.1026, 1085.94)(182.1386, 3351.59)(183.1397, 731.51)	FindByMolecularFeature	C7 H16 O4	31
Stearamide	Stearamide [ C18 H37 N O, overall=75.27, db=75.27, Lipid ID=LMFA08010003, CAS ID=124-26-5, KEGG ID=C13846, METLIN ID=34494 ]	124-26-5		Stearamide	+	283.2879	1.1284193	75.27	C13846	(284.2955, 10603.07)(285.2978, 2874.13)	FindByMolecularFeature	C18 H37 N O	31		LMFA08010003
Zopiclone	Zopiclone [ C17 H17 Cl N6 O3, overall=68.51, db=68.51, CAS ID=43200-80-2, KEGG ID=C12808, METLIN ID=3076 ]	43200-80-2		Zopiclone	+	388.1044	1.0563226	68.51	C12808	(389.112, 34182.38)(390.1125, 11453.69)(391.1107, 7486.37)(392.1107, 1732.01)(406.1377, 1300.88)	FindByMolecularFeature	C17 H17 Cl N6 O3	31
(±)8-gingerol	(±)8-gingerol [ C19 H30 O4, overall=91.69, db=91.69, CAS ID=77398-92-6, METLIN ID=84966 ]	77398-92-6		(±)8-gingerol	+	322.2148	1.1179334	91.69		(345.2054, 1949.78)(323.2216, 12770.6)(324.2236, 2870.16)(325.231, 1381.1)(340.2484, 25010.51)(341.2526, 5654.63)(342.2594, 1480.35)	FindByMolecularFeature	C19 H30 O4	30
10-keto stearic acid	10-keto stearic acid [ C18 H34 O3, overall=47.41, db=47.41, Lipid ID=LMFA01060066, METLIN ID=35760 ]			10-keto stearic acid	+	298.2507	1.0899667	47.41		(321.2403, 2449.95)(299.2582, 4974.72)(300.2584, 1145.86)(301.2518, 848.62)(316.2847, 2923.15)	FindByMolecularFeature	C18 H34 O3	30		LMFA01060066
1-Octadecanamine	1-Octadecanamine [ C18 H39 N, overall=85.63, db=85.63, CAS ID=124-30-1, METLIN ID=24042 ]	124-30-1		1-Octadecanamine	+	269.3084	4.0044675	85.63		(270.316, 6954.19)(271.3193, 1299.52)	FindByMolecularFeature	C18 H39 N	30
3-(6'-Methylthio)hexylmalic acid	3-(6'-Methylthio)hexylmalic acid [ C11 H20 O5 S, overall=89.59, db=89.59, CAS ID=, KEGG ID=C17227, METLIN ID=64506 ]			3-(6'-Methylthio)hexylmalic acid	+	264.1046	7.535066	89.59	C17227	(265.1119, 68238.64)(266.115, 10669.96)(267.1104, 3519.86)	FindByMolecularFeature	C11 H20 O5 S	30
4'-Hydroxytrimethoprim	4'-Hydroxytrimethoprim [ C13 H16 N4 O3, overall=78.60, db=78.60, CAS ID=21253-58-7, METLIN ID=2962 ]	21253-58-7		4'-Hydroxytrimethoprim	+	276.1219	1.0938333	78.6		(299.1103, 1794.39)(277.1299, 32019.87)(278.1352, 4524.43)(294.1549, 8726.66)(295.1555, 3594.29)(296.1635, 1614.87)	FindByMolecularFeature	C13 H16 N4 O3	30
allopurinol +3.0236669	allopurinol [ C5 H4 N4 O, overall=96.57, db=96.57, CAS ID=315-30-0, KEGG ID=C06816, METLIN ID=865 ]	315-30-0		allopurinol +3.0236669	+	136.0386	3.0236669	96.57	C06816	(137.0459, 231936.92)(138.0498, 12948.71)(139.0511, 1586.72)	FindByMolecularFeature	C5 H4 N4 O	30
C10 H16 N4 O	[ C10 H16 N4 O, overall=32.40, db=0.00, mfg=64.81 ]			C10 H16 N4 O	+	208.1321	1.5560334	32.4		(209.1388, 10282.82)(210.1474, 2367.0)(211.1389, 702.49)(226.1664, 5707.62)(227.1725, 1955.36)(228.1605, 884.81)	FindByMolecularFeature	C10 H16 N4 O	30
C15 H24 O6	[ C15 H24 O6, overall=48.75, db=0.00, mfg=97.50 ]			C15 H24 O6	+	300.1575	1.0757668	48.75		(301.1646, 7194.18)(302.1667, 1509.18)(303.1675, 1065.31)(318.1915, 40361.29)(319.1945, 7054.93)(320.2021, 1281.74)	FindByMolecularFeature	C15 H24 O6	30
C17 H29 N O	[ C17 H29 N O, overall=42.41, db=0.00, mfg=84.83 ]			C17 H29 N O	+	263.2251	4.035434	42.41		(264.2322, 8869.47)(265.2353, 1926.09)	FindByMolecularFeature	C17 H29 N O	30
C21 H45 N	[ C21 H45 N, overall=39.05, db=0.00, mfg=78.10 ]			C21 H45 N	+	311.355	4.0548997	39.05		(312.3625, 5984.84)(313.3656, 1436.91)(314.3653, 705.83)	FindByMolecularFeature	C21 H45 N	30
L-Alanine, N-propyl- +6.9719	L-Alanine, N-propyl- [ C6 H13 N O2, overall=87.76, db=87.76, CAS ID=13013-28-0, METLIN ID=2074 ]	13013-28-0		L-Alanine, N-propyl- +6.9719	+	131.0945	6.9719	87.76		(154.0844, 5318.68)(155.0823, 1107.11)(132.1018, 1234622.5)(133.1052, 85827.14)(263.1969, 1787.03)	FindByMolecularFeature	C6 H13 N O2	30
Methyl acetyl ricinoleate	Methyl acetyl ricinoleate [ C21 H38 O4, overall=25.09, db=25.09, CAS ID=140-03-4, KEGG ID=C12280, METLIN ID=69409 ]	140-03-4		Methyl acetyl ricinoleate	+	354.2772	1.1292	25.09	C12280	(355.2844, 22928.23)(356.2876, 10878.44)(357.2783, 22459.86)(372.3101, 971.09)	FindByMolecularFeature	C21 H38 O4	30
MID42019:26,26,26,27,27,27-hexafluoro-25-hydroxy-23,23,24,24-tetradehydrovitamin D3 / 26,26,26,27,27	MID42019:26,26,26,27,27,27-hexafluoro-25-hydroxy-23,23,24,24-tetradehydrovitamin D3 / 26,26,26,27,27 [ C27 H34 F6 O2, overall=68.01, db=68.01, Lipid ID=LMST03020079, METLIN ID=42019 ]			MID42019:26,26,26,27,27,27-hexafluoro-25-hydroxy-23,23,24,24-tetradehydrovitamin D3 / 26,26,26,27,27	+	526.2261	1.2401998	68.01		(527.2331, 10269.7)(528.2355, 4075.1)(529.2393, 1619.65)	FindByMolecularFeature	C27 H34 F6 O2	30		LMST03020079
Phosphodimethylethanolamine	Phosphodimethylethanolamine [ C4 H12 N O4 P, overall=92.53, db=92.53, CAS ID=, KEGG ID=C13482, METLIN ID=63348 ]			Phosphodimethylethanolamine	+	169.0491	2.156533	92.53	C13482	(170.0562, 21418.27)(171.0607, 1778.09)(187.0831, 234023.34)(188.0862, 16853.9)(189.0884, 2719.11)	FindByMolecularFeature	C4 H12 N O4 P	30
Picolinic acid	Picolinic acid [ C6 H5 N O2, overall=99.69, db=99.69, CAS ID=98-98-6, KEGG ID=C10164, METLIN ID=44803 ]	98-98-6		Picolinic acid	+	123.032	4.072867	99.69	C10164	(146.0207, 720.91)(124.0392, 226805.23)(125.0426, 16909.91)(126.0431, 1811.9)	FindByMolecularFeature	C6 H5 N O2	30
trans-2-Phenylcyclopropanecarboxylic acid	trans-2-Phenylcyclopropanecarboxylic acid [ C10 H10 O2, overall=86.04, db=86.04, CAS ID=939-90-2, KEGG ID=C15419, METLIN ID=70888 ]	939-90-2		trans-2-Phenylcyclopropanecarboxylic acid	+	162.0685	1.1248668	86.04	C15419	(163.0757, 20490.55)(164.079, 2608.19)	FindByMolecularFeature	C10 H10 O2	30
Xestoaminol C	Xestoaminol C [ C14 H31 N O, overall=99.30, db=99.30, Lipid ID=LMSP01080033, METLIN ID=53933 ]			Xestoaminol C	+	229.2407	4.176	99.3		(252.2317, 782.41)(230.2479, 15349.37)(231.2511, 2883.22)(459.4881, 36328.39)(460.4914, 11778.14)(461.4942, 2149.61)	FindByMolecularFeature	C14 H31 N O	30		LMSP01080033
1107.9247@1.1070689				1107.9247@1.1070689	+	1107.9247	1.1070689			(1108.931, 5716.29)(1109.9349, 3480.69)(1110.9373, 1278.5)	FindByMolecularFeature		29
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.2442415	3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid [ C24 H36 O3, overall=98.05, db=98.05, METLIN ID=42909 ]			3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.2442415	+	372.2666	1.2442415	98.05		(373.2737, 68682.79)(374.2772, 20407.09)(375.2803, 3532.0)	FindByMolecularFeature	C24 H36 O3	29
Apigenin 7-rhamnosyl-(1-6)-(4''-E-p-methoxycinnamoylglucoside)	Apigenin 7-rhamnosyl-(1-6)-(4''-E-p-methoxycinnamoylglucoside) [ C37 H38 O16, overall=39.01, db=39.01, Lipid ID=LMPK12110404, METLIN ID=48835 ]			Apigenin 7-rhamnosyl-(1-6)-(4''-E-p-methoxycinnamoylglucoside)	+	760.2042	1.0184138	39.01		(761.2068, 23050.21)(762.2017, 18794.36)(763.2011, 9470.67)	FindByMolecularFeature	C37 H38 O16	29		LMPK12110404
Benzoylagmatine	Benzoylagmatine [ C12 H18 N4 O, overall=55.28, db=55.28, KEGG ID=C02253, METLIN ID=65739 ]			Benzoylagmatine	+	234.1475	1.1913104	55.28	C02253	(257.1353, 1238.28)(235.1555, 6437.6)(236.1608, 1853.05)(237.1497, 1085.21)(252.1813, 2538.29)(253.1808, 945.91)(254.1766, 1106.87)	FindByMolecularFeature	C12 H18 N4 O	29
C11 H21 N O2	[ C11 H21 N O2, overall=42.83, db=0.00, mfg=85.66 ]			C11 H21 N O2	+	199.1582	1.2657931	42.83		(222.1495, 906.13)(200.1649, 39493.57)(201.1683, 5656.32)	FindByMolecularFeature	C11 H21 N O2	29
C13 H20 N4	[ C13 H20 N4, overall=41.98, db=0.00, mfg=83.97 ]			C13 H20 N4	+	232.1695	1.1795171	41.98		(255.1601, 3868.48)(233.1754, 5784.13)(234.1791, 1017.65)(250.2054, 2109.17)(465.3514, 706.42)	FindByMolecularFeature	C13 H20 N4	29
C21 H2 O26 S	[ C21 H2 O26 S, overall=39.82, db=0.00, mfg=79.65 ]			C21 H2 O26 S	+	701.8559	5.6951723	39.82		(702.8631, 12129.5)(703.8662, 1633.99)(704.8655, 542.48)	FindByMolecularFeature	C21 H2 O26 S	29
C21 N O21 S	[ C21 N O21 S, overall=36.77, db=0.00, mfg=73.54 ]			C21 N O21 S	+	633.8682	5.696621	36.77		(634.8758, 12650.87)(635.8787, 1081.74)(636.8807, 774.03)	FindByMolecularFeature	C21 N O21 S	29
C22 H23 N14 O9	[ C22 H23 N14 O9, overall=38.49, db=0.00, mfg=76.98 ]			C22 H23 N14 O9	+	627.1779	1.1637586	38.49		(1277.3525, 1085.31)(1278.3505, 1231.28)(1279.3499, 981.73)(628.185, 5972.48)(629.1885, 1512.34)	FindByMolecularFeature	C22 H23 N14 O9	29
C24 H2 O28 S	[ C24 H2 O28 S, overall=35.38, db=0.00, mfg=70.75 ]			C24 H2 O28 S	+	769.8437	5.6941376	35.38		(770.851, 11435.68)(771.853, 1656.79)(772.8473, 567.51)	FindByMolecularFeature	C24 H2 O28 S	29
C54 H52 Cl N2 O2 S4	[ C54 H52 Cl N2 O2 S4, overall=46.70, db=0.00, mfg=93.39 ]			C54 H52 Cl N2 O2 S4	+	923.2619	1.0117929	46.7		(924.2692, 35795.47)(925.2705, 29427.57)(926.2688, 28540.87)(927.2686, 15630.45)(928.2671, 8762.5)(929.2657, 3777.56)(930.2614, 1795.08)	FindByMolecularFeature	C54 H52 Cl N2 O2 S4	29
C59 H42 Cl S2	[ C59 H42 Cl S2, overall=44.16, db=0.00, mfg=88.31 ]			C59 H42 Cl S2	+	849.2442	1.0155174	44.16		(850.2531, 3465.05)(851.253, 2681.69)(852.25, 2704.21)(853.2471, 1361.23)(854.2412, 685.2)	FindByMolecularFeature	C59 H42 Cl S2	29
C7 H2 O11 S	[ C7 H2 O11 S, overall=36.05, db=0.00, mfg=72.10 ]			C7 H2 O11 S	+	293.9316	5.6931386	36.05		(294.939, 22612.02)(295.9424, 1106.72)	FindByMolecularFeature	C7 H2 O11 S	29
CAY10583	CAY10583 [ C25 H25 N O3, overall=54.89, db=54.89, CAS ID=862891-27-8, METLIN ID=45347 ]	862891-27-8		CAY10583	+	404.2141	1.0492758	54.89		(405.2208, 3324.45)(406.2266, 1275.19)(407.2077, 762.11)	FindByMolecularFeature	C25 H25 N O3	29
Celiprolol	Celiprolol [ C20 H33 N3 O4, overall=61.94, db=61.94, CAS ID=56980-93-9, METLIN ID=1633 ]	56980-93-9		Celiprolol	+	401.2257	6.3216195	61.94		(402.233, 10015.66)(403.2363, 2148.62)	FindByMolecularFeature	C20 H33 N3 O4	29
Deoxymiroestrol	Deoxymiroestrol [ C20 H22 O5, overall=81.35, db=81.35, KEGG ID=C18164, METLIN ID=72068 ]			Deoxymiroestrol	+	342.1472	1.0672759	81.35	C18164	(365.1361, 906.18)(343.1544, 7497.7)(344.1582, 1865.98)(360.181, 4237.88)(361.1789, 1206.55)	FindByMolecularFeature	C20 H22 O5	29
DG(20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z)/0:0)[iso2]	DG(20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z)/0:0)[iso2] [ C45 H76 O5, overall=89.74, db=89.74, Lipid ID=LMGL02010246, METLIN ID=36788 ]			DG(20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z)/0:0)[iso2]	+	713.5984	1.1164138	89.74		(714.6057, 83140.02)(715.6087, 36681.58)(716.6114, 10167.09)(717.6151, 1628.35)	FindByMolecularFeature	C45 H76 O5	29		LMGL02010246
Glycyl-L-leucine +7.7197585	Glycyl-L-leucine [ C8 H16 N2 O3, overall=97.76, db=97.76, CAS ID=869-19-2, KEGG ID=C02155, METLIN ID=5727, HMP ID=HMDB00759 ]	869-19-2		Glycyl-L-leucine +7.7197585	+	188.1163	7.7197585	97.76	C02155	(189.1235, 32972.19)(190.1269, 3566.03)(191.1351, 516.81)	FindByMolecularFeature	C8 H16 N2 O3	29	HMDB00759
n-Pentadecylamine	n-Pentadecylamine [ C15 H33 N, overall=85.22, db=85.22, CAS ID=2570-26-5, METLIN ID=34540 ]	2570-26-5		n-Pentadecylamine	+	227.2613	4.0770345	85.22		(228.2689, 12142.08)(229.2727, 2277.9)	FindByMolecularFeature	C15 H33 N	29
RO 40-5966 (Methylmibefradil Metabolite)	RO 40-5966 (Methylmibefradil Metabolite) [ C26 H34 F N3 O, overall=77.75, db=77.75, CAS ID=116666-60-5, METLIN ID=1280 ]	116666-60-5		RO 40-5966 (Methylmibefradil Metabolite)	+	445.2518	6.4008975	77.75		(446.2591, 7448.18)(447.2628, 1996.03)	FindByMolecularFeature	C26 H34 F N3 O	29
TG(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z))[iso6]	TG(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z))[iso6] [ C63 H104 O6, overall=51.17, db=51.17, Lipid ID=LMGL03011726, METLIN ID=38224 ]			TG(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z))[iso6]	+	973.8055	5.6913095	51.17		(974.8129, 8366.9)(975.8154, 1474.97)(976.8137, 784.24)	FindByMolecularFeature	C63 H104 O6	29		LMGL03011726
trans-3-Aminocyclopentane-1-carboxylic acid	trans-3-Aminocyclopentane-1-carboxylic acid [ C6 H11 N O2, overall=99.64, db=99.64, CAS ID=57376-72-4, KEGG ID=C13696, METLIN ID=69643 ]	57376-72-4		trans-3-Aminocyclopentane-1-carboxylic acid	+	129.0788	6.523	99.64	C13696	(152.0683, 22672.13)(153.0707, 1194.34)(154.058, 766.86)(281.1474, 981.22)(130.0862, 588175.9)(131.0893, 42281.35)(132.1, 3673.52)(259.1657, 2321.08)(260.1708, 997.42)	FindByMolecularFeature	C6 H11 N O2	29
(+)-3-hydroxy pelargonic acid	(+)-3-hydroxy pelargonic acid [ C9 H18 O3, overall=98.86, db=98.86, Lipid ID=LMFA01050025, METLIN ID=35407 ]			(+)-3-hydroxy pelargonic acid	+	191.152	4.656892	98.86		(192.1595, 24869.17)(193.1629, 2549.44)(194.1609, 536.55)	FindByMolecularFeature	C9 H18 O3	28		LMFA01050025
1,2-Dimethoxy-4-[2-(2-propenyloxy)ethenyl]-benzene	1,2-Dimethoxy-4-[2-(2-propenyloxy)ethenyl]-benzene [ C13 H16 O3, overall=72.58, db=72.58, KEGG ID=C12263, METLIN ID=69405 ]			1,2-Dimethoxy-4-[2-(2-propenyloxy)ethenyl]-benzene	+	220.1123	1.5719999	72.58	C12263	(243.0993, 4230.84)(244.1013, 506.27)(221.1196, 84198.38)(222.123, 7801.54)(223.1258, 1817.75)(238.1467, 4239.18)(239.148, 1658.33)	FindByMolecularFeature	C13 H16 O3	28
11Z-tetradecenoyl-CoA	11Z-tetradecenoyl-CoA [ C35 H60 N7 O17 P3 S, overall=62.20, db=62.20, KEGG ID=C06737, METLIN ID=36658 ]			11Z-tetradecenoyl-CoA	+	997.2807	1.0091785	62.2	C06737	(998.288, 48214.71)(999.2888, 44505.16)(1000.2873, 42003.26)(1001.2868, 26399.84)(1002.2845, 15496.36)(1003.2834, 7643.0)(1004.2783, 3206.52)	FindByMolecularFeature	C35 H60 N7 O17 P3 S	28
12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic acid	12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic acid [ C18 H28 O5, overall=60.04, db=60.04, Lipid ID=LMFA01060126, METLIN ID=74764 ]			12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic acid	+	341.2202	4.0399995	60.04		(342.2275, 5267.52)(343.2297, 1809.93)(344.229, 1781.47)	FindByMolecularFeature	C18 H28 O5	28		LMFA01060126
2,3,5-Trimethacarb	2,3,5-Trimethacarb [ C11 H15 N O2, overall=97.87, db=97.87, CAS ID=2655-15-4, KEGG ID=C18957, METLIN ID=72717 ]	2655-15-4		2,3,5-Trimethacarb	+	193.1106	6.943393	97.87	C18957	(194.1178, 109752.7)(195.1213, 15034.06)(196.1291, 1882.51)	FindByMolecularFeature	C11 H15 N O2	28
3-hydroxy-dodecanedioic acid	3-hydroxy-dodecanedioic acid [ C12 H22 O5, overall=86.32, db=86.32, Lipid ID=LMFA01170089, METLIN ID=74935, HMP ID=HMDB00413 ]			3-hydroxy-dodecanedioic acid	+	246.1473	1.1298572	86.32		(269.1395, 1187.61)(247.1546, 13041.23)(248.1584, 2589.99)(249.158, 796.32)(264.181, 10355.52)(265.1836, 1793.47)(266.1776, 1355.7)	FindByMolecularFeature	C12 H22 O5	28	HMDB00413	LMFA01170089
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol	4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol [ C6 H8 N2 O2, overall=99.64, db=99.64, CAS ID=64603-91-4, KEGG ID=C13693, METLIN ID=69640 ]	64603-91-4		4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol	+	140.0586	6.270179	99.64	C13693	(163.048, 6341.26)(164.0508, 741.59)(141.0658, 1173630.0)(142.0691, 85409.31)(143.0705, 7941.95)(144.07, 715.37)(158.0923, 1223.45)	FindByMolecularFeature	C6 H8 N2 O2	28
5Z,9Z-Tridecadienyl acetate	5Z,9Z-Tridecadienyl acetate [ C15 H26 O2, overall=70.27, db=70.27, Lipid ID=LMFA05000326, METLIN ID=46277 ]			5Z,9Z-Tridecadienyl acetate	+	238.1935	1.1406786	70.27		(261.1849, 864.51)(239.2004, 5957.3)(240.201, 1333.36)(256.2281, 4789.23)(257.2222, 2004.38)	FindByMolecularFeature	C15 H26 O2	28		LMFA05000326
beta-D-Glucosyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol	beta-D-Glucosyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol [ C69 H115 N O17 P2, overall=47.70, db=47.70, KEGG ID=C04830, METLIN ID=66264 ]			beta-D-Glucosyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol	+	1313.742	5.6948934	47.7	C04830	(1314.748, 4051.01)(1315.7534, 1339.61)	FindByMolecularFeature	C69 H115 N O17 P2	28
C13 H14 N2 S	[ C13 H14 N2 S, overall=39.47, db=0.00, mfg=78.94 ]			C13 H14 N2 S	+	230.0867	1.499893	39.47		(253.0754, 1052.64)(231.0935, 6171.31)(232.0967, 1271.85)(233.0939, 718.87)	FindByMolecularFeature	C13 H14 N2 S	28
C17 H37 N	[ C17 H37 N, overall=40.56, db=0.00, mfg=81.13 ]			C17 H37 N	+	255.2929	3.7878568	40.56		(256.3001, 14010.0)(257.3034, 3392.13)	FindByMolecularFeature	C17 H37 N	28
C18 H38 O4	[ C18 H38 O4, overall=45.86, db=0.00, mfg=91.73 ]			C18 H38 O4	+	318.2773	1.1605715	45.86		(319.2844, 13434.09)(320.2875, 3241.07)(321.2887, 1003.76)(336.3124, 40172.19)(337.3158, 9140.95)	FindByMolecularFeature	C18 H38 O4	28
C29 H57 N O6	[ C29 H57 N O6, overall=46.68, db=0.00, mfg=93.36 ]			C29 H57 N O6	+	515.4186	1.0240715	46.68		(516.4251, 7814.92)(517.4296, 2610.73)(518.4314, 885.59)	FindByMolecularFeature	C29 H57 N O6	28
C29 H59 N8 O11	[ C29 H59 N8 O11, overall=49.92, db=0.00, mfg=99.83 ]			C29 H59 N8 O11	+	695.4298	5.383072	49.92		(696.4375, 31702.11)(697.4408, 11141.26)(698.4433, 2717.55)(699.4451, 525.19)	FindByMolecularFeature	C29 H59 N8 O11	28
C31 H36 N15 O4 S3	[ C31 H36 N15 O4 S3, overall=40.98, db=0.00, mfg=81.96 ]			C31 H36 N15 O4 S3	+	778.2239	1.0210714	40.98		(779.2317, 32460.69)(780.2291, 15516.06)(781.2281, 6373.67)(782.2178, 2418.01)	FindByMolecularFeature	C31 H36 N15 O4 S3	28
C49 H76 N4 O4	[ C49 H76 N4 O4, overall=49.62, db=0.00, mfg=99.24 ]			C49 H76 N4 O4	+	784.585	1.3352144	49.62		(807.5745, 45319.13)(808.5779, 24317.47)(809.5811, 7873.71)(810.5896, 2583.15)(785.5933, 765212.0)(786.5973, 408839.8)(787.5998, 118453.16)(788.6025, 24814.87)(789.6049, 3991.09)(790.6075, 371.28)	FindByMolecularFeature	C49 H76 N4 O4	28
C58 H34 N4 S	[ C58 H34 N4 S, overall=37.38, db=0.00, mfg=74.75 ]			C58 H34 N4 S	+	818.252	1.0357141	37.38		(819.2596, 4753.85)(820.2595, 3127.13)(821.2521, 1561.19)	FindByMolecularFeature	C58 H34 N4 S	28
Epothilone C	Epothilone C [ C26 H39 N O5 S, overall=63.93, db=63.93, KEGG ID=C15694, METLIN ID=71028 ]			Epothilone C	+	499.236	1.1089998	63.93	C15694	(500.2441, 3708.59)(501.2465, 2109.95)(502.2522, 919.65)	FindByMolecularFeature	C26 H39 N O5 S	28
Immepip	Immepip [ C9 H15 N3, overall=72.69, db=72.69, CAS ID=151070-83-6, KEGG ID=C17932, METLIN ID=71954 ]	151070-83-6		Immepip	+	182.1533	9.620321	72.69	C17932	(183.1606, 18155.14)(184.1597, 2902.5)	FindByMolecularFeature	C9 H15 N3	28
Istamycin C1	Istamycin C1 [ C19 H37 N5 O6, overall=93.63, db=93.63, KEGG ID=C17996, METLIN ID=71992 ]			Istamycin C1	+	431.2728	3.9698577	93.63	C17996	(432.2805, 233511.19)(433.2838, 44654.98)(434.2858, 9411.46)(435.2888, 1266.57)	FindByMolecularFeature	C19 H37 N5 O6	28
N-Hydroxy-L-phenylalanine +7.1315002	N-Hydroxy-L-phenylalanine [ C9 H11 N O3, overall=99.34, db=99.34, KEGG ID=C19712, METLIN ID=73312 ]			N-Hydroxy-L-phenylalanine +7.1315002	+	181.0741	7.1315002	99.34	C19712	(182.0811, 43378.43)(183.0842, 4251.39)(184.0901, 727.17)(363.1504, 904.64)	FindByMolecularFeature	C9 H11 N O3	28
Piperidine	Piperidine [ C5 H11 N, overall=85.36, db=85.36, CAS ID=110-89-4, KEGG ID=C01746, METLIN ID=64457 ]	110-89-4		Piperidine	+	85.0891	5.67575	85.36	C01746	(86.0964, 41545.49)(87.1, 3429.17)	FindByMolecularFeature	C5 H11 N	28
(4E,8E,10E-d18:3)sphingosine	(4E,8E,10E-d18:3)sphingosine [ C18 H33 N O2, overall=85.53, db=85.53, Lipid ID=LMSP01080013, METLIN ID=53913 ]			(4E,8E,10E-d18:3)sphingosine	+	295.2512	1.2138519	85.53		(318.2365, 995.67)(296.2584, 32231.67)(297.2612, 6779.2)	FindByMolecularFeature	C18 H33 N O2	27		LMSP01080013
1,2-Epoxypropane	1,2-Epoxypropane [ C3 H6 O, overall=47.60, db=47.60, CAS ID=75-56-9, KEGG ID=C15508, METLIN ID=70953 ]	75-56-9		1,2-Epoxypropane	+	58.0419	1.3874815	47.6	C15508	(59.0491, 3657.94)(117.0908, 3633.7)(118.0868, 803.74)	FindByMolecularFeature	C3 H6 O	27
1109.7804@5.6969256				1109.7804@5.6969256	+	1109.7804	5.6969256			(1110.7865, 6959.76)(1111.79, 1246.95)	FindByMolecularFeature		27
1177.7673@5.6957407				1177.7673@5.6957407	+	1177.7673	5.6957407			(1178.7743, 5536.95)(1179.7782, 931.43)	FindByMolecularFeature		27
1245.7544@5.6949635				1245.7544@5.6949635	+	1245.7544	5.6949635			(1246.7603, 5375.25)(1247.7646, 1162.63)	FindByMolecularFeature		27
2-Amino-2-methyl-1-propanol	2-Amino-2-methyl-1-propanol [ C4 H11 N O, overall=86.85, db=86.85, CAS ID=124-68-5, METLIN ID=4136 ]	124-68-5		2-Amino-2-methyl-1-propanol	+	89.0842	1.6637037	86.85		(90.0916, 49168.03)(91.0948, 2972.96)	FindByMolecularFeature	C4 H11 N O	27
5beta-Chola-3,8(14),11-trien-24-oic Acid +1.2441483	5beta-Chola-3,8(14),11-trien-24-oic Acid [ C24 H34 O2, overall=98.96, db=98.96, Lipid ID=LMST04010327, METLIN ID=84636 ]			5beta-Chola-3,8(14),11-trien-24-oic Acid +1.2441483	+	354.256	1.2441483	98.96		(355.2632, 51385.38)(356.2666, 13660.94)(357.2692, 2891.42)	FindByMolecularFeature	C24 H34 O2	27		LMST04010327
771.2661@1.0147778				771.2661@1.0147778	+	771.2661	1.0147778			(772.274, 2325.06)(773.2742, 1715.77)(774.2563, 6716.61)(775.2553, 5382.36)	FindByMolecularFeature		27
7-Oxoheptanoic acid	7-Oxoheptanoic acid [ C7 H12 O3, overall=99.17, db=99.17, KEGG ID=C16590, METLIN ID=71248 ]			7-Oxoheptanoic acid	+	161.1052	7.7236304	99.17	C16590	(162.1124, 91320.45)(163.116, 7615.2)(164.1213, 1373.77)	FindByMolecularFeature	C7 H12 O3	27
Betaine	Betaine [ C5 H12 N O2, overall=99.88, db=99.88, CAS ID=107-43-7, KEGG ID=C00719, METLIN ID=287, HMP ID=HMDB00043 ]	107-43-7		Betaine	+	100.0523	6.396444	99.88	C00719	(101.0597, 215488.2)(102.0631, 10487.47)(103.0644, 1432.91)(118.0863, 523983.94)(119.0894, 33883.0)(120.0918, 3720.95)(218.1403, 2412.77)(219.149, 563.42)	FindByMolecularFeature	C5 H12 N O2	27	HMDB00043
C12 H26 O7	[ C12 H26 O7, overall=49.67, db=0.00, mfg=99.35 ]			C12 H26 O7	+	282.168	2.740407	49.67		(283.1755, 12722.5)(284.1783, 2358.58)(300.2021, 47821.78)(301.2053, 6828.2)(302.2071, 1169.16)	FindByMolecularFeature	C12 H26 O7	27
C13 H27 N8 O3	[ C13 H27 N8 O3, overall=47.37, db=0.00, mfg=94.75 ]			C13 H27 N8 O3	+	343.2208	3.2488515	47.37		(344.228, 21143.35)(345.2313, 3868.26)(346.2331, 1199.07)	FindByMolecularFeature	C13 H27 N8 O3	27
C15 H32 O3	[ C15 H32 O3, overall=30.13, db=0.00, mfg=60.27 ]			C15 H32 O3	+	260.235	1.1328889	30.13		(283.2238, 804.68)(261.2426, 3391.03)(262.2444, 1084.39)(278.2693, 1823.84)(279.2717, 635.96)(280.2603, 673.32)	FindByMolecularFeature	C15 H32 O3	27
C19 H42 Cl N6 O2	[ C19 H42 Cl N6 O2, overall=31.00, db=0.00, mfg=61.99 ]			C19 H42 Cl N6 O2	+	421.3043	1.1151482	31		(422.3118, 5205.54)(423.3121, 1800.12)(424.3232, 1418.52)	FindByMolecularFeature	C19 H42 Cl N6 O2	27
C40 H83 N	[ C40 H83 N, overall=45.77, db=0.00, mfg=91.55 ]			C40 H83 N	+	577.6519	3.6382961	45.77		(578.6596, 5198.57)(579.6624, 2767.43)(580.6644, 678.02)	FindByMolecularFeature	C40 H83 N	27
Cassaidine	Cassaidine [ C24 H41 N O4, overall=62.99, db=62.99, CAS ID=26296-41-3, KEGG ID=C08669, METLIN ID=67104 ]	26296-41-3		Cassaidine	+	407.3012	1.1402963	62.99	C08669	(408.3082, 13563.2)(409.3089, 3134.32)(410.3107, 1079.96)	FindByMolecularFeature	C24 H41 N O4	27
Di(2-ethylhexyl) adipate	Di(2-ethylhexyl) adipate [ C22 H42 O4, overall=74.73, db=74.73, CAS ID=103-23-1, KEGG ID=C14240, METLIN ID=69902 ]	103-23-1		Di(2-ethylhexyl) adipate	+	370.3082	1.0342221	74.73	C14240	(371.3151, 6612.69)(372.3192, 2080.12)(388.3416, 1414.19)	FindByMolecularFeature	C22 H42 O4	27
Ectocarpen	Ectocarpen [ C11 H16, overall=87.87, db=87.87, CAS ID=33156-93-3, KEGG ID=C16993, METLIN ID=71487 ]	33156-93-3		Ectocarpen	+	148.1252	1.146963	87.87	C16993	(149.1325, 41533.96)(150.136, 4889.18)	FindByMolecularFeature	C11 H16	27
Hexylamine	Hexylamine [ C6 H15 N, overall=87.68, db=87.68, CAS ID=111-26-2, KEGG ID=C08306, METLIN ID=66899 ]	111-26-2		Hexylamine	+	101.1203	4.8894444	87.68	C08306	(124.1113, 898.19)(102.1275, 29942.31)(103.1307, 2195.56)	FindByMolecularFeature	C6 H15 N	27
N-Nitrosodiethylamine	N-Nitrosodiethylamine [ C4 H10 N2 O, overall=87.17, db=87.17, CAS ID=55-18-5, KEGG ID=C14422, METLIN ID=70049 ]	55-18-5		N-Nitrosodiethylamine	+	102.0792	6.0555935	87.17	C14422	(227.1482, 2648.51)(103.0866, 36702.29)(104.0886, 2329.81)	FindByMolecularFeature	C4 H10 N2 O	27
Octanoic acid, 3-amino-, (1)- +10.194593	Octanoic acid, 3-amino-, (1)- [ C8 H17 N O2, overall=86.67, db=86.67, Lipid ID=LMFA01100020, METLIN ID=74873 ]			Octanoic acid, 3-amino-, (1)- +10.194593	+	176.1527	10.194593	86.67		(177.16, 10684.51)(178.1624, 1123.7)	FindByMolecularFeature	C8 H17 N O2	27		LMFA01100020
PG(12:0/19:0)	PG(12:0/19:0) [ C37 H73 O10 P, overall=71.70, db=71.70, Lipid ID=LMGP04010057, METLIN ID=78882 ]			PG(12:0/19:0)	+	725.5228	1.0219259	71.7		(726.5308, 4821.0)(727.5345, 2759.14)(728.5348, 1093.89)	FindByMolecularFeature	C37 H73 O10 P	27		LMGP04010057
THA +1.335815	THA [ C24 H36 O2, overall=99.82, db=99.82, Lipid ID=LMFA01030822, METLIN ID=74358 ]			THA +1.335815	+	356.2714	1.335815	99.82		(357.2789, 99449.33)(358.2823, 26368.13)(359.2851, 4353.63)	FindByMolecularFeature	C24 H36 O2	27		LMFA01030822
Trilauroyl-glycerol	Trilauroyl-glycerol [ C39 H74 O6, overall=95.16, db=95.16, Lipid ID=LMGL03012618, METLIN ID=75582 ]			Trilauroyl-glycerol	+	655.5742	1.0214444	95.16		(656.5815, 14862.7)(657.585, 7278.21)(658.5883, 1772.88)	FindByMolecularFeature	C39 H74 O6	27		LMGL03012618
1041.7928@5.690307				1041.7928@5.690307	+	1041.7928	5.690307			(1042.7998, 5998.45)(1043.8029, 1347.53)(1044.803, 654.38)	FindByMolecularFeature		26
18-hydroxy-9R,10S-epoxy-stearic acid	18-hydroxy-9R,10S-epoxy-stearic acid [ C18 H34 O4, overall=92.59, db=92.59, Lipid ID=LMFA02000003, METLIN ID=36010 ]			18-hydroxy-9R,10S-epoxy-stearic acid	+	314.2458	1.151577	92.59		(337.2351, 31572.39)(338.2384, 6095.7)(339.2456, 1906.7)(315.2534, 5100.95)(316.2532, 1048.11)(317.262, 753.05)	FindByMolecularFeature	C18 H34 O4	26		LMFA02000003
2-oxo-dodecanoic acid	2-oxo-dodecanoic acid [ C12 H22 O3, overall=63.83, db=63.83, METLIN ID=35780 ]			2-oxo-dodecanoic acid	+	214.1575	1.1426922	63.83		(237.1486, 972.13)(451.3042, 633.18)(215.1646, 6603.22)(216.1629, 1307.78)(217.1635, 536.3)(232.1913, 8984.43)(233.1916, 2079.25)(446.3498, 839.4)	FindByMolecularFeature	C12 H22 O3	26
4E,9Z-Tetradecadienal	4E,9Z-Tetradecadienal [ C14 H24 O, overall=99.46, db=99.46, Lipid ID=LMFA06000174, METLIN ID=46464 ]			4E,9Z-Tetradecadienal	+	208.1827	1.1400384	99.46		(231.1684, 621.77)(209.19, 76961.07)(210.1936, 12596.62)(211.1982, 1546.55)(226.2144, 1899.72)	FindByMolecularFeature	C14 H24 O	26		LMFA06000174
4-Oxovalproic acid	4-Oxovalproic acid [ C8 H14 O3, overall=86.50, db=86.50, CAS ID=688-04-0, KEGG ID=C16655, METLIN ID=2995 ]	688-04-0		4-Oxovalproic acid	+	175.1208	5.2041163	86.5	C16655	(176.128, 19833.89)(177.1326, 1918.48)(178.1282, 1000.79)	FindByMolecularFeature	C8 H14 O3	26
979.2696@1.0283461				979.2696@1.0283461	+	979.2696	1.0283461			(980.2768, 8525.61)(981.2783, 7886.74)(982.2756, 9300.49)(983.2743, 5742.4)(984.2702, 3686.77)(985.2667, 1928.81)(986.2619, 910.9)	FindByMolecularFeature		26
all-trans-hexaprenyl diphosphate +4.5815387	all-trans-hexaprenyl diphosphate [ C30 H52 O7 P2, overall=93.88, db=93.88, Lipid ID=LMPR03030005, KEGG ID=C01230, METLIN ID=53853 ]			all-trans-hexaprenyl diphosphate +4.5815387	+	603.3463	4.5815387	93.88	C01230	(604.3536, 105659.74)(605.3569, 29576.74)(606.3597, 7406.05)(607.3617, 795.78)	FindByMolecularFeature	C30 H52 O7 P2	26		LMPR03030005
Anandamide (20:2, n-6) +1.1666154	Anandamide (20:2, n-6) [ C22 H41 N O2, overall=84.58, db=84.58, Lipid ID=LMFA08040002, METLIN ID=36738 ]			Anandamide (20:2, n-6) +1.1666154	+	351.314	1.1666154	84.58		(374.2998, 1010.24)(352.3211, 22559.62)(353.324, 5476.88)	FindByMolecularFeature	C22 H41 N O2	26		LMFA08040002
Betaine +6.535154	Betaine [ C5 H12 N O2, overall=99.90, db=99.90, CAS ID=107-43-7, KEGG ID=C00719, METLIN ID=287, HMP ID=HMDB00043 ]	107-43-7		Betaine +6.535154	+	117.079	6.535154	99.9	C00719	(140.0687, 3958.06)(141.0665, 1112.28)(118.0863, 640687.44)(119.0895, 40706.97)(120.0909, 4387.96)	FindByMolecularFeature	C5 H12 N O2	26	HMDB00043
Bisacodyl diphenol	Bisacodyl diphenol [ C18 H15 N O2, overall=52.93, db=52.93, CAS ID=603-41-8, METLIN ID=1349 ]	603-41-8		Bisacodyl diphenol	+	277.1069	2.087231	52.93		(278.1139, 5856.03)(279.1126, 1247.23)(280.105, 823.99)(295.1403, 13932.68)(296.1437, 2489.49)	FindByMolecularFeature	C18 H15 N O2	26
C14 H34 N3 S2	[ C14 H34 N3 S2, overall=38.72, db=0.00, mfg=77.45 ]			C14 H34 N3 S2	+	308.2195	1.3944232	38.72		(309.2261, 11457.52)(310.2296, 2159.13)(311.2218, 2523.92)(326.2531, 4279.9)(327.2572, 1213.1)(328.2549, 659.37)	FindByMolecularFeature	C14 H34 N3 S2	26
C29 H2 N2 O29 S2	[ C29 H2 N2 O29 S2, overall=37.46, db=0.00, mfg=74.92 ]			C29 H2 N2 O29 S2	+	905.8183	5.694807	37.46		(906.8251, 7951.01)(907.8272, 1502.84)(908.8292, 691.51)	FindByMolecularFeature	C29 H2 N2 O29 S2	26
C33 H34 N8 O3 S3	[ C33 H34 N8 O3 S3, overall=38.06, db=0.00, mfg=76.11 ]			C33 H34 N8 O3 S3	+	686.1941	1.0205001	38.06		(687.2002, 23354.51)(688.1956, 10813.54)(689.1937, 4829.29)(690.189, 1523.14)	FindByMolecularFeature	C33 H34 N8 O3 S3	26
C43 H34 N3 O3 S2	[ C43 H34 N3 O3 S2, overall=40.50, db=0.00, mfg=81.01 ]			C43 H34 N3 O3 S2	+	704.2051	1.0262308	40.5		(705.2127, 53049.54)(706.2106, 26894.19)(707.2073, 10258.28)(708.2077, 2393.23)	FindByMolecularFeature	C43 H34 N3 O3 S2	26
C9 H18 O4	[ C9 H18 O4, overall=23.64, db=0.00, mfg=47.28 ]			C9 H18 O4	+	190.121	1.2601539	23.64		(213.1091, 717.22)(191.1284, 9302.6)(192.1363, 1190.92)(193.1232, 4473.28)(208.1567, 10985.5)(398.2752, 637.8)	FindByMolecularFeature	C9 H18 O4	26
Capsi-amide	Capsi-amide [ C17 H35 N O, overall=85.99, db=85.99, CAS ID=64317-66-4, KEGG ID=C17515, METLIN ID=71748 ]	64317-66-4		Capsi-amide	+	269.2721	1.082923	85.99	C17515	(270.2796, 18316.01)(271.2829, 3418.3)	FindByMolecularFeature	C17 H35 N O	26
cis-Zeatin	cis-Zeatin [ C10 H13 N5 O, overall=98.70, db=98.70, CAS ID=, KEGG ID=C15545, METLIN ID=64074 ]			cis-Zeatin	+	219.1122	5.3984222	98.7	C15545	(242.1012, 1154.94)(220.1197, 327459.03)(221.1226, 42258.96)(222.1254, 3442.26)	FindByMolecularFeature	C10 H13 N5 O	26
decanamide	decanamide [ C10 H21 N O, overall=79.48, db=79.48, Lipid ID=LMFA08010005, METLIN ID=46554 ]			decanamide	+	171.1624	1.2075384	79.48		(194.1539, 821.72)(172.1697, 5949.0)(173.172, 976.03)(343.3314, 2008.85)	FindByMolecularFeature	C10 H21 N O	26		LMFA08010005
Diethylene glycol	Diethylene glycol [ C4 H10 O3, overall=68.86, db=68.86, CAS ID=111-46-6, KEGG ID=C14689, METLIN ID=70263 ]	111-46-6		Diethylene glycol	+	106.0632	1.5723462	68.86	C14689	(129.053, 3244.23)(107.0704, 8522.21)(108.0805, 1456.27)(124.0964, 9828.5)(125.0998, 1352.5)	FindByMolecularFeature	C4 H10 O3	26
Gabapentin +1.3032693	Gabapentin [ C9 H17 N O2, overall=98.48, db=98.48, CAS ID=60142-96-3, KEGG ID=C07018, METLIN ID=2989, HMP ID=HMDB05015 ]	60142-96-3		Gabapentin +1.3032693	+	171.1263	1.3032693	98.48	C07018	(194.1177, 3377.84)(365.2382, 581.96)(172.1336, 71393.64)(173.137, 7337.69)(174.1412, 1174.56)	FindByMolecularFeature	C9 H17 N O2	26	HMDB05015
Gly Val Trp	Gly Val Trp [ C18 H24 N4 O4, overall=86.82, db=86.82, METLIN ID=15975 ]			Gly Val Trp	+	377.2051	1.0930384	86.82		(378.2123, 19634.58)(379.2149, 4407.12)(380.2238, 1384.11)	FindByMolecularFeature	C18 H24 N4 O4	26
Remikiren +4.86423	Remikiren [ C33 H50 N4 O6 S, overall=88.80, db=88.80, CAS ID=126222-34-2, KEGG ID=C07465, METLIN ID=66652 ]	126222-34-2		Remikiren +4.86423	+	647.3726	4.86423	88.8	C07465	(648.3798, 93448.35)(649.383, 29049.27)(650.3852, 7190.35)(651.3876, 1333.44)	FindByMolecularFeature	C33 H50 N4 O6 S	26
Spectinomycin adenylate	Spectinomycin adenylate [ C24 H36 N7 O13 P, overall=48.03, db=48.03, CAS ID=27544-31-6, KEGG ID=C03580, METLIN ID=2477 ]	27544-31-6		Spectinomycin adenylate	+	683.1958	1.0197694	48.03	C03580	(684.2028, 71160.88)(685.2039, 44951.57)(686.1977, 45355.62)(687.1959, 22271.09)(688.1905, 13499.51)	FindByMolecularFeature	C24 H36 N7 O13 P	26
27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol	27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, overall=76.11, db=76.11, Lipid ID=LMST01010213, METLIN ID=57654 ]			27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol	+	455.3611	1.0772797	76.11		(456.368, 8818.94)(457.3706, 3240.94)(458.3688, 1239.83)	FindByMolecularFeature	C26 H46 O5	25		LMST01010213
2-Pentacosenoic acid, 2,4-dimethyl-	2-Pentacosenoic acid, 2,4-dimethyl- [ C27 H52 O2, overall=85.37, db=85.37, Lipid ID=LMFA01020256, METLIN ID=73692 ]			2-Pentacosenoic acid, 2,4-dimethyl-	+	430.377	1.14196	85.37		(431.384, 36252.12)(432.3872, 8894.21)(433.3887, 1583.87)	FindByMolecularFeature	C27 H52 O2	25		LMFA01020256
4-Heptyloxyphenol +1.1393203	4-Heptyloxyphenol [ C13 H20 O2, overall=83.66, db=83.66, CAS ID=13037-86-0, KEGG ID=C14236, METLIN ID=69898 ]	13037-86-0		4-Heptyloxyphenol +1.1393203	+	208.147	1.1393203	83.66	C14236	(209.1541, 22353.63)(210.1571, 4409.28)(226.181, 281478.38)(227.1845, 42259.87)(434.3252, 649.74)(417.3036, 899.61)	FindByMolecularFeature	C13 H20 O2	25
Bifenazate	Bifenazate [ C17 H20 N2 O3, overall=98.96, db=98.96, CAS ID=149877-41-8, KEGG ID=C18589, METLIN ID=72390 ]	149877-41-8		Bifenazate	+	300.1477	1.13776	98.96	C18589	(323.1385, 1793.64)(301.155, 119818.46)(302.1584, 23336.85)(303.1628, 3554.05)(318.184, 975.16)	FindByMolecularFeature	C17 H20 N2 O3	25
C10 H24 N8 O S	[ C10 H24 N8 O S, overall=37.77, db=0.00, mfg=75.53 ]			C10 H24 N8 O S	+	304.1787	1.4271998	37.77		(327.1685, 7843.04)(328.1739, 1868.57)(631.346, 1508.19)(305.1853, 2427.52)(306.1893, 1076.72)(307.1903, 1113.79)(609.3635, 5117.17)(610.3682, 1901.57)(611.3763, 1024.79)	FindByMolecularFeature	C10 H24 N8 O S	25
C18 H38 O3	[ C18 H38 O3, overall=31.86, db=0.00, mfg=63.72 ]			C18 H38 O3	+	302.2815	1.11532	31.86		(325.2724, 1445.52)(303.2892, 2879.37)(304.2866, 1592.5)(320.3158, 4375.75)(321.3168, 1360.98)	FindByMolecularFeature	C18 H38 O3	25
C26 H58 N23 O2	[ C26 H58 N23 O2, overall=36.35, db=0.00, mfg=72.71 ]			C26 H58 N23 O2	+	724.5134	5.1199203	36.35		(725.5218, 3512.84)(726.5235, 1513.15)	FindByMolecularFeature	C26 H58 N23 O2	25
C8 H4 O3	[ C8 H4 O3, overall=42.90, db=0.00, mfg=85.79 ]			C8 H4 O3	+	148.0162	1.05668	42.9		(149.0236, 45323.98)(150.0276, 4454.95)	FindByMolecularFeature	C8 H4 O3	25
C9 H12 N	[ C9 H12 N, overall=35.97, db=0.00, mfg=71.94 ]			C9 H12 N	+	134.0943	1.40116	35.97		(157.0838, 3910.61)(158.0843, 1265.43)(135.103, 7563.44)(136.1118, 1074.02)(152.128, 3541.67)(153.1296, 817.85)(154.1231, 1529.01)	FindByMolecularFeature	C9 H12 N	25
Dipropetryn	Dipropetryn [ C11 H21 N5 S, overall=75.17, db=75.17, CAS ID=4147-51-7, KEGG ID=C19101, METLIN ID=72843 ]	4147-51-7		Dipropetryn	+	255.1496	1.5713598	75.17	C19101	(278.1382, 777.41)(256.1568, 83542.48)(257.1604, 8506.21)(258.1626, 2362.75)	FindByMolecularFeature	C11 H21 N5 S	25
Fluvoxamine	Fluvoxamine [ C15 H21 F3 N2 O2, overall=43.02, db=43.02, CAS ID=54739-18-3, KEGG ID=C07571, METLIN ID=2949 ]	54739-18-3		Fluvoxamine	+	318.1581	1.99712	43.02	C07571	(341.1483, 3016.94)(342.1483, 743.56)(343.1562, 572.42)(659.3048, 14040.26)(660.3081, 5623.93)(661.3175, 2349.3)(662.326, 484.07)(319.1652, 19766.93)(320.1689, 3841.82)(321.1715, 1177.84)(637.3232, 60477.8)(638.3259, 24505.39)(639.3328, 9776.14)(640.3383, 2493.27)	FindByMolecularFeature	C15 H21 F3 N2 O2	25
Halaminol A	Halaminol A [ C14 H29 N O, overall=68.54, db=68.54, Lipid ID=LMSP01080034, METLIN ID=53934 ]			Halaminol A	+	227.2245	1.1514	68.54		(228.23, 10355.89)(229.2333, 1887.29)	FindByMolecularFeature	C14 H29 N O	25		LMSP01080034
Isocarbamid	Isocarbamid [ C8 H15 N3 O2, overall=96.03, db=96.03, CAS ID=30979-48-7, KEGG ID=C19047, METLIN ID=72796 ]	30979-48-7		Isocarbamid	+	185.1167	4.391879	96.03	C19047	(186.1241, 21967.48)(187.1271, 2616.98)(188.1281, 723.28)	FindByMolecularFeature	C8 H15 N3 O2	25
L-Histidinol	L-Histidinol [ C6 H11 N3 O, overall=97.48, db=97.48, CAS ID=, KEGG ID=C00860, METLIN ID=63491 ]			L-Histidinol	+	141.0902	3.7930388	97.48	C00860	(164.0811, 2667.16)(142.0979, 405759.47)(143.1013, 32107.25)(144.1028, 2151.01)(283.1873, 3000.26)(284.1877, 767.59)	FindByMolecularFeature	C6 H11 N3 O	25
L-prolyl-L-glycine	L-prolyl-L-glycine [ C7 H12 N2 O3, overall=99.32, db=99.32, METLIN ID=62025, HMP ID=HMDB11178 ]			L-prolyl-L-glycine	+	172.0848	6.0787206	99.32		(195.0754, 639.26)(173.0923, 321961.66)(174.0955, 25544.6)(175.0981, 3274.94)(190.1215, 1655.45)	FindByMolecularFeature	C7 H12 N2 O3	25	HMDB11178
Mesobilirubinogen +5.965881	Mesobilirubinogen [ C33 H44 N4 O6, overall=82.01, db=82.01, CAS ID=14684-37-8, KEGG ID=C05790, METLIN ID=58064, HMP ID=HMDB01898 ]	14684-37-8		Mesobilirubinogen +5.965881	+	592.3256	5.965881	82.01	C05790	(615.314, 9311.47)(616.3178, 3544.26)(617.3263, 1449.73)(593.3326, 168199.17)(594.3358, 58764.95)(595.3451, 24529.64)(596.3501, 6534.58)(597.3551, 1180.88)	FindByMolecularFeature	C33 H44 N4 O6	25	HMDB01898
Triphenylphosphine oxide	Triphenylphosphine oxide [ C18 H15 O P, overall=90.20, db=90.20, CAS ID=791-28-6, METLIN ID=64889 ]	791-28-6		Triphenylphosphine oxide	+	278.0866	1.2986	90.2		(279.0935, 16500.25)(280.0986, 3105.47)(281.0956, 827.17)	FindByMolecularFeature	C18 H15 O P	25
Ursodeoxycholic acid 3-sulfate	Ursodeoxycholic acid 3-sulfate [ C24 H40 O7 S, overall=60.05, db=60.05, Lipid ID=LMST05020033, METLIN ID=57983 ]			Ursodeoxycholic acid 3-sulfate	+	489.2784	6.48096	60.05		(490.2852, 5611.67)(491.2896, 1178.55)	FindByMolecularFeature	C24 H40 O7 S	25		LMST05020033
Victorin C	Victorin C [ C31 H45 Cl3 N6 O13, overall=47.44, db=47.44, CAS ID=100822-41-1, KEGG ID=C08443, METLIN ID=66980 ]	100822-41-1		Victorin C	+	831.2331	1.01836	47.44	C08443	(832.2404, 42568.59)(833.2414, 34763.56)(834.2388, 32579.25)(835.2383, 17395.9)(836.2344, 8995.92)	FindByMolecularFeature	C31 H45 Cl3 N6 O13	25
2,4,6-Trimethylacetophenone imine	2,4,6-Trimethylacetophenone imine [ C11 H15 N, overall=67.69, db=67.69, CAS ID=20173-89-1, METLIN ID=517 ]	20173-89-1		2,4,6-Trimethylacetophenone imine	+	161.1222	5.1651664	67.69		(162.1296, 10555.72)(163.1312, 1365.75)(164.1295, 719.82)	FindByMolecularFeature	C11 H15 N	24
3-Methylamino-1,2-propandiol	3-Methylamino-1,2-propandiol [ C4 H11 N O2, overall=85.86, db=85.86, CAS ID=40137-22-2, METLIN ID=44718 ]	40137-22-2		3-Methylamino-1,2-propandiol	+	105.0789	5.9374175	85.86		(128.0699, 2247.71)(106.0861, 19640.65)(107.0894, 1385.9)	FindByMolecularFeature	C4 H11 N O2	24
7(Z)-Pentacosene	7(Z)-Pentacosene [ C25 H50, overall=83.79, db=83.79, CAS ID=63623-49-4, METLIN ID=64892 ]	63623-49-4		7(Z)-Pentacosene	+	367.4176	3.9925416	83.79		(368.4248, 17810.55)(369.428, 4930.8)	FindByMolecularFeature	C25 H50	24
Azafenidin	Azafenidin [ C15 H13 Cl2 N3 O2, overall=48.98, db=48.98, CAS ID=68049-83-2, KEGG ID=C10895, METLIN ID=68665 ]	68049-83-2		Azafenidin	+	354.0625	1.0392083	48.98	C10895	(355.07, 21413.34)(356.0709, 6840.8)(357.0683, 4753.98)(358.066, 1112.3)	FindByMolecularFeature	C15 H13 Cl2 N3 O2	24
b-D-Glucopyranosiduronic acid, 6-(3-oxobutyl)-2-naphthalenyl	b-D-Glucopyranosiduronic acid, 6-(3-oxobutyl)-2-naphthalenyl [ C20 H22 O8, overall=96.40, db=96.40, CAS ID=91488-19-6, METLIN ID=1377 ]	91488-19-6		b-D-Glucopyranosiduronic acid, 6-(3-oxobutyl)-2-naphthalenyl	+	407.1579	1.3909167	96.4		(408.1652, 24352.77)(409.1697, 5742.41)(410.1729, 1497.53)	FindByMolecularFeature	C20 H22 O8	24
C11 H28 N4 S	[ C11 H28 N4 S, overall=23.15, db=0.00, mfg=46.30 ]			C11 H28 N4 S	+	248.1995	1.1635417	23.15		(271.1921, 1132.03)(249.2065, 9364.86)(250.2056, 3053.55)(251.2025, 894.88)(266.2371, 2035.05)(267.2319, 924.5)	FindByMolecularFeature	C11 H28 N4 S	24
C25 H31 N	[ C25 H31 N, overall=40.81, db=0.00, mfg=81.62 ]			C25 H31 N	+	345.2456	3.9895833	40.81		(346.2528, 4994.38)(347.256, 1545.36)	FindByMolecularFeature	C25 H31 N	24
C31 H26 N12 S2	[ C31 H26 N12 S2, overall=45.10, db=0.00, mfg=90.20 ]			C31 H26 N12 S2	+	630.1865	1.0317916	45.1		(631.1937, 44006.11)(632.192, 17892.55)(633.1911, 6535.74)(634.1884, 2018.56)	FindByMolecularFeature	C31 H26 N12 S2	24
C34 H35 Cl2 N14 O S	[ C34 H35 Cl2 N14 O S, overall=23.81, db=0.00, mfg=47.62 ]			C34 H35 Cl2 N14 O S	+	757.2143	1.0186666	23.81		(758.2216, 46429.36)(759.2226, 33848.07)(760.2079, 69729.7)(761.2069, 48161.65)(762.2024, 37843.07)(775.2554, 7155.91)	FindByMolecularFeature	C34 H35 Cl2 N14 O S	24
C48 H56 Cl N O4 S5	[ C48 H56 Cl N O4 S5, overall=45.80, db=0.00, mfg=91.59 ]			C48 H56 Cl N O4 S5	+	905.251	1.0204166	45.8		(906.2584, 7046.8)(907.2588, 4917.18)(908.257, 5488.04)(909.2575, 3057.75)(910.2537, 2128.87)(911.2514, 606.03)(923.2893, 799.0)	FindByMolecularFeature	C48 H56 Cl N O4 S5	24
Dibutyl succinate	Dibutyl succinate [ C12 H22 O4, overall=48.70, db=48.70, CAS ID=141-03-7, KEGG ID=C19143, METLIN ID=72884 ]	141-03-7		Dibutyl succinate	+	230.1531	1.2597083	48.7	C19143	(253.1426, 1037.51)(231.1614, 5762.05)(232.159, 2499.62)(233.1578, 2084.64)(248.1826, 688.89)(461.3226, 1005.44)	FindByMolecularFeature	C12 H22 O4	24
Fibrin	Fibrin [ C5 H11 N3 O2, overall=93.52, db=93.52, CAS ID=9001-31-4, KEGG ID=C00290, METLIN ID=65513 ]	9001-31-4		Fibrin	+	145.0852	6.3200417	93.52	C00290	(168.0746, 1084.84)(146.0917, 55345.29)(147.0929, 2962.5)(148.0969, 1365.72)	FindByMolecularFeature	C5 H11 N3 O2	24
Gln Gln Ile	Gln Gln Ile [ C16 H29 N5 O6, overall=74.93, db=74.93, METLIN ID=20614 ]			Gln Gln Ile	+	387.2092	1.57175	74.93		(410.1997, 979.61)(388.2161, 15219.79)(389.2189, 2555.28)(390.2179, 762.17)	FindByMolecularFeature	C16 H29 N5 O6	24
Hemigossypol	Hemigossypol [ C15 H16 O4, overall=86.70, db=86.70, KEGG ID=C09680, METLIN ID=41202 ]			Hemigossypol	+	260.105	1.5712916	86.7	C09680	(261.1122, 31431.13)(262.1154, 2949.55)(263.1155, 1073.75)	FindByMolecularFeature	C15 H16 O4	24
Lauryl hydrogen sulfate	Lauryl hydrogen sulfate [ C12 H26 O4 S, overall=89.25, db=89.25, CAS ID=151-21-3, KEGG ID=C11166, METLIN ID=58284, HMP ID=HMDB05004 ]	151-21-3		Lauryl hydrogen sulfate	+	283.1806	1.5720416	89.25	C11166	(284.1879, 22431.13)(285.191, 3235.1)(286.1974, 1034.21)	FindByMolecularFeature	C12 H26 O4 S	24	HMDB05004
N?-Acetyl-L-arginine	N?-Acetyl-L-arginine [ C8 H16 N4 O3, overall=63.98, db=63.98, CAS ID=155-84-0, METLIN ID=58241, HMP ID=HMDB04620 ]	155-84-0		N?-Acetyl-L-arginine	+	216.1223	7.549625	63.98		(217.1298, 13123.91)(218.1384, 2024.78)(219.1375, 1108.05)	FindByMolecularFeature	C8 H16 N4 O3	24	HMDB04620
Oleoyl Ethyl Amide	Oleoyl Ethyl Amide [ C20 H39 N O, overall=82.19, db=82.19, CAS ID=85075-82-7, METLIN ID=44905 ]	85075-82-7		Oleoyl Ethyl Amide	+	309.3032	1.1257917	82.19		(310.3105, 14405.62)(311.3132, 3751.1)(619.6148, 1058.45)	FindByMolecularFeature	C20 H39 N O	24
Piperidine +8.457042	Piperidine [ C5 H11 N, overall=87.79, db=87.79, CAS ID=110-89-4, KEGG ID=C01746, METLIN ID=64457 ]	110-89-4		Piperidine +8.457042	+	85.089	8.457042	87.79	C01746	(86.0965, 279592.78)(87.0997, 21314.8)(103.1229, 312209.78)(104.1261, 19242.92)	FindByMolecularFeature	C5 H11 N	24
Stearidonic Acid methyl ester	Stearidonic Acid methyl ester [ C19 H30 O2, overall=79.22, db=79.22, METLIN ID=44892 ]			Stearidonic Acid methyl ester	+	290.2246	1.0822083	79.22		(313.2169, 1926.16)(291.2317, 11999.33)(292.2353, 3194.13)(308.2591, 2866.63)(309.2707, 623.58)(310.2614, 777.48)	FindByMolecularFeature	C19 H30 O2	24
Tromethamine	Tromethamine [ C4 H11 N O3, overall=86.92, db=86.92, CAS ID=, KEGG ID=C07182, METLIN ID=43366 ]			Tromethamine	+	121.0736	6.0655007	86.92	C07182	(122.0809, 29296.44)(123.0863, 1789.65)(124.0832, 1486.97)(260.1835, 596.28)	FindByMolecularFeature	C4 H11 N O3	24
?-Glutamyl-?-cyanoalanine	?-Glutamyl-?-cyanoalanine [ C9 H13 N3 O5, overall=63.61, db=63.61, CAS ID=, KEGG ID=C05711, METLIN ID=63617 ]			?-Glutamyl-?-cyanoalanine	+	243.0859	4.04313	63.61	C05711	(266.0757, 3122.03)(244.0935, 4014.71)(245.0964, 528.14)(246.091, 724.81)	FindByMolecularFeature	C9 H13 N3 O5	23
14-Fluoro-11Z-tetradecenyl acetate +1.0993912	14-Fluoro-11Z-tetradecenyl acetate [ C16 H29 F O2, overall=64.31, db=64.31, Lipid ID=LMFA05000378, METLIN ID=46329 ]			14-Fluoro-11Z-tetradecenyl acetate +1.0993912	+	294.1977	1.0993912	64.31		(295.2045, 11926.75)(296.2107, 1848.25)(297.2064, 1583.71)	FindByMolecularFeature	C16 H29 F O2	23		LMFA05000378
4-(Trimethylammonio)but-2-enoate	4-(Trimethylammonio)but-2-enoate [ C7 H14 N O2, overall=99.55, db=99.55, KEGG ID=C04114, METLIN ID=66118 ]			4-(Trimethylammonio)but-2-enoate	+	143.0947	6.9793043	99.55	C04114	(166.0856, 1080.91)(144.1021, 256631.42)(145.1052, 20931.54)(146.115, 1057.57)	FindByMolecularFeature	C7 H14 N O2	23
4-Fluoroaniline	4-Fluoroaniline [ C6 H6 F N, overall=77.42, db=77.42, CAS ID=371-40-4, KEGG ID=C11014, METLIN ID=68773 ]	371-40-4		4-Fluoroaniline	+	111.0492	1.571565	77.42	C11014	(245.0885, 1145.69)(112.0565, 36875.21)(113.0619, 2441.22)	FindByMolecularFeature	C6 H6 F N	23
7-Methylthioheptanaldoxime	7-Methylthioheptanaldoxime [ C8 H17 N O S, overall=72.39, db=72.39, CAS ID=, KEGG ID=C17249, METLIN ID=64517 ]			7-Methylthioheptanaldoxime	+	175.102	1.6636958	72.39	C17249	(198.088, 1606.03)(176.1094, 16220.34)(177.1113, 1536.05)	FindByMolecularFeature	C8 H17 N O S	23
8-methylcaffeine	8-methylcaffeine [ C9 H12 N4 O2, overall=78.26, db=78.26, CAS ID=832-66-6, METLIN ID=84980 ]	832-66-6		8-methylcaffeine	+	208.0951	6.060043	78.26		(231.084, 10976.53)(232.0879, 1478.28)(209.1022, 3247.67)(210.1152, 770.71)(211.1082, 915.65)(226.1295, 1700.68)	FindByMolecularFeature	C9 H12 N4 O2	23
Atorvastatin Metabolite(meta)	Atorvastatin Metabolite(meta) [ C33 H35 F N2 O4, overall=82.14, db=82.14, CAS ID=, METLIN ID=1151 ]			Atorvastatin Metabolite(meta)	+	542.2575	1.3374346	82.14		(543.2658, 3709.28)(544.269, 1869.72)(545.2702, 640.4)	FindByMolecularFeature	C33 H35 F N2 O4	23
C16 H31 N O2 S2	[ C16 H31 N O2 S2, overall=42.97, db=0.00, mfg=85.93 ]			C16 H31 N O2 S2	+	333.1793	1.1182609	42.97		(334.1862, 16589.74)(335.1898, 2841.86)(336.1985, 1298.49)(351.2147, 623.68)	FindByMolecularFeature	C16 H31 N O2 S2	23
C17 H24 N2 O4 +1.9560437	[ C17 H24 N2 O4, overall=49.65, db=0.00, mfg=99.30 ]			C17 H24 N2 O4 +1.9560437	+	320.1733	1.9560437	49.65		(343.1626, 4855.64)(344.1667, 1445.72)(663.3355, 1739.45)(664.3388, 1032.1)(321.1809, 56105.32)(322.1841, 10987.68)(323.1909, 1339.16)(641.354, 7830.0)(642.3571, 2972.53)(643.3381, 968.07)	FindByMolecularFeature	C17 H24 N2 O4	23
C20 H35 N15 O3	[ C20 H35 N15 O3, overall=41.13, db=0.00, mfg=82.26 ]			C20 H35 N15 O3	+	533.3041	6.5641747	41.13		(534.3118, 5065.44)(535.315, 1307.09)	FindByMolecularFeature	C20 H35 N15 O3	23
C24 H49 N O13 +4.2517824	[ C24 H49 N O13, overall=49.86, db=0.00, mfg=99.72 ]			C24 H49 N O13 +4.2517824	+	559.3202	4.2517824	49.86		(560.3276, 82714.62)(561.3306, 22046.43)(562.3329, 4929.62)(563.3355, 430.25)	FindByMolecularFeature	C24 H49 N O13	23
C26 H2 N2 O27 S2	[ C26 H2 N2 O27 S2, overall=33.91, db=0.00, mfg=67.82 ]			C26 H2 N2 O27 S2	+	837.8307	5.6869574	33.91		(838.8382, 10102.37)(839.842, 1740.11)(840.8432, 641.98)	FindByMolecularFeature	C26 H2 N2 O27 S2	23
C27 H53 N O S2	[ C27 H53 N O S2, overall=46.52, db=0.00, mfg=93.04 ]			C27 H53 N O S2	+	471.3566	1.1298696	46.52		(494.3502, 910.29)(472.3639, 5955.22)(473.3663, 2138.37)(474.3623, 952.0)(489.3947, 715.97)	FindByMolecularFeature	C27 H53 N O S2	23
CB-13	CB-13 [ C26 H24 O2, overall=71.84, db=71.84, CAS ID=432047-72-8, METLIN ID=64701 ]	432047-72-8		CB-13	+	368.1776	1.1063912	71.84		(369.1828, 4256.06)(370.188, 1140.41)(386.2119, 5325.9)(387.2154, 1919.29)(388.2135, 984.47)	FindByMolecularFeature	C26 H24 O2	23
Dehydroandrosterone	Dehydroandrosterone [ C19 H28 O2, overall=76.60, db=76.60, Lipid ID=LMST02020103, METLIN ID=57833 ]			Dehydroandrosterone	+	266.2241	1.1125219	76.6		(289.2164, 9914.52)(290.2184, 2646.21)(267.231, 5190.95)(268.2291, 1648.35)	FindByMolecularFeature	C19 H28 O2	23		LMST02020103
His Pro	His Pro [ C11 H16 N4 O3, overall=62.45, db=62.45, METLIN ID=23935 ]			His Pro	+	252.1213	6.066174	62.45		(275.1106, 6911.03)(276.1158, 1685.54)(253.1296, 3825.36)(254.1367, 987.56)(270.1551, 4348.42)(271.1631, 746.29)(272.1625, 879.48)	FindByMolecularFeature	C11 H16 N4 O3	23
Hymenoflorin	Hymenoflorin [ C15 H20 O5, overall=83.05, db=83.05, CAS ID=51292-63-8, KEGG ID=C09480, METLIN ID=67734 ]	51292-63-8		Hymenoflorin	+	280.1318	1.1311305	83.05	C09480	(281.1386, 7202.17)(282.1413, 1397.34)	FindByMolecularFeature	C15 H20 O5	23
Isoguanosine	Isoguanosine [ C10 H13 N5 O5, overall=93.44, db=93.44, CAS ID=1818-71-9, KEGG ID=C08432, METLIN ID=66971 ]	1818-71-9		Isoguanosine	+	283.0917	3.8657823	93.44	C08432	(306.0806, 8098.76)(307.0849, 1175.76)(284.0989, 23594.58)(285.1031, 3045.46)(286.1103, 682.17)	FindByMolecularFeature	C10 H13 N5 O5	23
L-Urobilinogen	L-Urobilinogen [ C33 H48 N4 O6, overall=99.68, db=99.68, CAS ID=, KEGG ID=C05789, METLIN ID=63920 ]			L-Urobilinogen	+	596.357	1.5166954	99.68	C05789	(619.3462, 19397.19)(620.3502, 8166.05)(621.353, 2201.25)(597.365, 537507.2)(598.3682, 199344.14)(599.3709, 40753.55)(600.3738, 6719.2)(601.3778, 708.89)	FindByMolecularFeature	C33 H48 N4 O6	23
Lys Lys Met	Lys Lys Met [ C17 H35 N5 O4 S, overall=63.97, db=63.97, METLIN ID=20748 ]			Lys Lys Met	+	422.268	5.8030434	63.97		(423.2749, 25932.92)(424.2795, 3079.06)	FindByMolecularFeature	C17 H35 N5 O4 S	23
Mephenesin	Mephenesin [ C10 H14 O3, overall=77.68, db=77.68, CAS ID=59-47-2, METLIN ID=43479 ]	59-47-2		Mephenesin	+	182.0945	1.2072176	77.68		(183.1015, 11846.15)(184.1052, 2051.75)(365.1913, 804.7)	FindByMolecularFeature	C10 H14 O3	23
Obtusilic acid	Obtusilic acid [ C10 H18 O2, overall=84.47, db=84.47, Lipid ID=LMFA01030031, METLIN ID=34721 ]			Obtusilic acid	+	170.1308	1.5574783	84.47		(171.138, 15565.9)(172.1402, 1889.2)	FindByMolecularFeature	C10 H18 O2	23		LMFA01030031
Octanoic acid, 3-amino-, (1)-	Octanoic acid, 3-amino-, (1)- [ C8 H17 N O2, overall=85.49, db=85.49, Lipid ID=LMFA01100020, METLIN ID=74873 ]			Octanoic acid, 3-amino-, (1)-	+	159.1258	6.3566084	85.49		(160.1331, 47583.46)(161.1362, 4849.09)(162.1277, 2056.34)	FindByMolecularFeature	C8 H17 N O2	23		LMFA01100020
PG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	PG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C43 H73 O10 P, overall=72.36, db=72.36, Lipid ID=LMGP04010160, METLIN ID=78985 ]			PG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	+	780.4992	1.1107826	72.36		(781.5066, 1607.92)(782.5285, 1396.65)(798.5334, 3723.87)(799.5356, 1759.82)(800.5392, 663.82)	FindByMolecularFeature	C43 H73 O10 P	23		LMGP04010160
Secnidazole +6.6741304	Secnidazole [ C7 H11 N3 O3, overall=89.41, db=89.41, CAS ID=3366-95-8, METLIN ID=43554 ]	3366-95-8		Secnidazole +6.6741304	+	185.0801	6.6741304	89.41		(208.0699, 3887.31)(186.0873, 28972.64)(187.0932, 3008.72)(188.0915, 756.6)	FindByMolecularFeature	C7 H11 N3 O3	23
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid	(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ C14 H24 O3, overall=22.57, db=22.57, Lipid ID=LMFA02010016, METLIN ID=74961 ]			(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid	+	240.1729	1.239	22.57		(263.1638, 916.54)(503.3348, 1863.22)(504.3385, 805.46)(241.1809, 4385.96)(242.1803, 2068.0)(243.1748, 2690.19)(258.2048, 745.02)(498.3829, 938.65)(481.3507, 1392.08)	FindByMolecularFeature	C14 H24 O3	22		LMFA02010016
10-Deacetyl-2-debenzoylbaccatin III	10-Deacetyl-2-debenzoylbaccatin III [ C22 H32 O9, overall=43.17, db=43.17, CAS ID=, KEGG ID=C11899, METLIN ID=64018 ]			10-Deacetyl-2-debenzoylbaccatin III	+	440.2015	1.1443635	43.17	C11899	(441.2084, 4217.43)(442.2115, 1235.06)(458.2349, 6485.38)(459.2362, 2093.26)	FindByMolecularFeature	C22 H32 O9	22
2-(Octylthio)ethanol	2-(Octylthio)ethanol [ C10 H22 O S, overall=21.14, db=21.14, CAS ID=3547-33-9, KEGG ID=C18863, METLIN ID=72625 ]	3547-33-9		2-(Octylthio)ethanol	+	190.1363	1.1398638	21.14	C18863	(191.1435, 11235.13)(208.1702, 35140.39)	FindByMolecularFeature	C10 H22 O S	22
2-amino-14,16-dimethyloctadecan-3-ol	2-amino-14,16-dimethyloctadecan-3-ol [ C20 H43 N O, overall=84.61, db=84.61, Lipid ID=LMSP01080031, METLIN ID=53931 ]			2-amino-14,16-dimethyloctadecan-3-ol	+	313.3345	4.0193186	84.61		(314.3415, 5405.64)(315.3453, 1301.29)	FindByMolecularFeature	C20 H43 N O	22		LMSP01080031
5-Hydroxydopamine	5-Hydroxydopamine [ C8 H11 N O3, overall=86.89, db=86.89, CAS ID=1927-04-4, METLIN ID=7081, HMP ID=HMDB04817 ]	4/4/1927		5-Hydroxydopamine	+	169.0742	6.2821364	86.89		(170.0815, 14107.86)(171.0845, 1397.86)(187.1078, 7943.52)(188.1123, 576.36)	FindByMolecularFeature	C8 H11 N O3	22	HMDB04817
5-Hydroxyectoine	5-Hydroxyectoine [ C6 H10 N2 O3, overall=97.23, db=97.23, CAS ID=, KEGG ID=C16432, METLIN ID=63420 ]			5-Hydroxyectoine	+	158.0692	7.607454	97.23	C16432	(159.0761, 9968.37)(160.0827, 942.51)(176.1032, 31089.46)(177.1064, 2753.22)(178.11, 738.68)	FindByMolecularFeature	C6 H10 N2 O3	22
AGC	AGC [ C15 H25 N O3 S, overall=90.54, db=90.54, CAS ID=, METLIN ID=43439 ]			AGC	+	299.1568	1.5711815	90.54		(300.164, 11134.64)(301.1674, 1549.82)(302.164, 686.52)	FindByMolecularFeature	C15 H25 N O3 S	22
C11 H22 N4	[ C11 H22 N4, overall=33.79, db=0.00, mfg=67.58 ]			C11 H22 N4	+	210.1846	9.107682	33.79		(233.1724, 598.38)(211.192, 7359.25)(212.1928, 1667.14)	FindByMolecularFeature	C11 H22 N4	22
C12 H32 N7 S	[ C12 H32 N7 S, overall=40.21, db=0.00, mfg=80.42 ]			C12 H32 N7 S	+	306.2422	1.1735	40.21		(329.2335, 1983.1)(330.2329, 1358.27)(307.248, 6979.85)(324.2772, 5863.48)(325.2777, 1469.02)(326.2747, 703.89)	FindByMolecularFeature	C12 H32 N7 S	22
C14 H36 N13 O5	[ C14 H36 N13 O5, overall=33.75, db=0.00, mfg=67.51 ]			C14 H36 N13 O5	+	466.2941	6.1322737	33.75		(467.3012, 16724.83)(468.3043, 2352.11)	FindByMolecularFeature	C14 H36 N13 O5	22
C17 H24 N2 O3	[ C17 H24 N2 O3, overall=49.75, db=0.00, mfg=99.51 ]			C17 H24 N2 O3	+	304.1786	1.5438182	49.75		(327.1681, 6538.22)(328.1731, 1443.45)(631.3461, 1461.14)(305.1861, 62422.19)(306.1892, 11610.25)(307.1944, 1366.19)(609.3632, 3739.77)(610.3671, 1488.47)	FindByMolecularFeature	C17 H24 N2 O3	22
C22 H52 N26 +4.9335904	[ C22 H52 N26, overall=38.75, db=0.00, mfg=77.49 ]			C22 H52 N26 +4.9335904	+	680.4869	4.9335904	38.75		(681.4942, 4508.07)(682.4976, 1605.39)	FindByMolecularFeature	C22 H52 N26	22
C9 H21 N O S	[ C9 H21 N O S, overall=24.69, db=0.00, mfg=49.38 ]			C9 H21 N O S	+	191.1319	1.1625911	24.69		(192.141, 17248.22)(193.1506, 4570.96)	FindByMolecularFeature	C9 H21 N O S	22
CAY10598	CAY10598 [ C21 H29 N5 O2, overall=38.21, db=38.21, CAS ID=346673-06-1, METLIN ID=45515 ]	346673-06-1		CAY10598	+	400.255	5.658046	38.21		(401.2623, 25819.09)(402.2651, 2789.14)	FindByMolecularFeature	C21 H29 N5 O2	22
Diallyl Sulfide	Diallyl Sulfide [ C6 H10 S, overall=63.43, db=63.43, CAS ID=592-88-1, KEGG ID=C08370, METLIN ID=44102 ]	592-88-1		Diallyl Sulfide	+	114.0487	1.5714091	63.43	C08370	(115.0559, 27267.95)(116.0599, 1453.04)(132.0797, 573.18)	FindByMolecularFeature	C6 H10 S	22
F4-Neuroprostane (7-series)	F4-Neuroprostane (7-series) [ C22 H34 O5, overall=60.13, db=60.13, KEGG ID=C13819, METLIN ID=69717 ]			F4-Neuroprostane (7-series)	+	378.2416	5.529363	60.13	C13819	(379.249, 31730.39)(380.2516, 3134.13)	FindByMolecularFeature	C22 H34 O5	22
Fluvoxamine +2.091909	Fluvoxamine [ C15 H21 F3 N2 O2, overall=80.26, db=80.26, CAS ID=54739-18-3, KEGG ID=C07571, METLIN ID=2949 ]	54739-18-3		Fluvoxamine +2.091909	+	318.1582	2.091909	80.26	C07571	(341.1486, 1441.83)(342.1416, 865.72)(319.1655, 201951.39)(320.1687, 36062.65)(321.1715, 5343.13)(322.1749, 1554.27)	FindByMolecularFeature	C15 H21 F3 N2 O2	22
Gln Lys Ile	Gln Lys Ile [ C17 H33 N5 O5, overall=94.71, db=94.71, METLIN ID=19469 ]			Gln Lys Ile	+	387.2468	3.6307273	94.71		(388.254, 29920.83)(389.2571, 6411.99)(390.2608, 1135.39)	FindByMolecularFeature	C17 H33 N5 O5	22
I-Urobilin +5.992819	I-Urobilin [ C33 H42 N4 O6, overall=92.56, db=92.56, CAS ID=1856-98-0, KEGG ID=C05794, METLIN ID=58222, HMP ID=HMDB04160 ]	1856-98-0		I-Urobilin +5.992819	+	590.3102	5.992819	92.56	C05794	(613.2995, 8261.82)(614.3021, 3163.45)(615.3104, 1148.75)(591.3175, 191391.25)(592.3205, 69504.47)(593.3273, 22115.06)(594.333, 5448.33)(595.3408, 808.92)	FindByMolecularFeature	C33 H42 N4 O6	22	HMDB04160
Limonene-1,2-epoxide +1.141909	Limonene-1,2-epoxide [ C10 H16 O, overall=94.07, db=94.07, CAS ID=1195-92-2, KEGG ID=C07271, METLIN ID=41092 ]	1195-92-2		Limonene-1,2-epoxide +1.141909	+	152.1203	1.141909	94.07	C07271	(153.1276, 23569.08)(154.1303, 2672.93)(155.142, 554.59)(170.154, 4865.06)	FindByMolecularFeature	C10 H16 O	22
MRE-269 +1.325591	MRE-269 [ C25 H29 N3 O3, overall=82.33, db=82.33, CAS ID=475085-57-5, METLIN ID=64702 ]	475085-57-5		MRE-269 +1.325591	+	419.2207	1.325591	82.33		(442.2103, 1906.52)(420.2281, 17280.46)(421.2325, 6001.24)(422.241, 1555.99)(437.252, 1101.43)	FindByMolecularFeature	C25 H29 N3 O3	22
N-arachidonoyl alanine	N-arachidonoyl alanine [ C23 H37 N O3, overall=84.73, db=84.73, Lipid ID=LMFA08020153, METLIN ID=75534 ]			N-arachidonoyl alanine	+	375.2798	1.1445	84.73		(376.2862, 42163.46)(377.2903, 8357.85)(378.2907, 2029.41)	FindByMolecularFeature	C23 H37 N O3	22		LMFA08020153
N-Nitrosodi-n-butylamine +5.868181	N-Nitrosodi-n-butylamine [ C8 H18 N2 O, overall=99.06, db=99.06, CAS ID=924-16-3, KEGG ID=C19277, METLIN ID=72995 ]	924-16-3		N-Nitrosodi-n-butylamine +5.868181	+	158.142	5.868181	99.06	C19277	(181.1313, 179862.8)(182.1344, 19685.12)(183.141, 1393.17)(339.2729, 15258.64)(340.2756, 3093.48)(159.1496, 414256.2)(160.1525, 39925.78)(161.1548, 2495.41)(317.2908, 2708.54)	FindByMolecularFeature	C8 H18 N2 O	22
Palmitic amide	Palmitic amide [ C16 H33 N O, overall=83.74, db=83.74, CAS ID=629-54-9, METLIN ID=62905, HMP ID=HMDB12273 ]	629-54-9		Palmitic amide	+	255.2562	1.1124545	83.74		(256.2637, 14761.21)(257.2656, 2848.35)	FindByMolecularFeature	C16 H33 N O	22	HMDB12273
Retinoyl CoA	Retinoyl CoA [ C41 H62 N7 O17 P3 S, overall=67.29, db=67.29, CAS ID=81295-48-9, METLIN ID=58434, HMP ID=HMDB06508 ]	81295-48-9		Retinoyl CoA	+	1071.2994	1.0067729	67.29		(1072.3065, 23488.56)(1073.3069, 23151.81)(1074.3058, 23514.09)(1075.3052, 15731.75)(1076.3041, 9635.81)(1077.3007, 4829.73)(1078.2957, 2215.35)	FindByMolecularFeature	C41 H62 N7 O17 P3 S	22	HMDB06508
Syringolin A	Syringolin A [ C24 H39 N5 O6, overall=50.81, db=50.81, KEGG ID=C15701, METLIN ID=71033 ]			Syringolin A	+	510.32	6.368228	50.81	C15701	(511.3273, 8802.85)(512.33, 1549.07)	FindByMolecularFeature	C24 H39 N5 O6	22
(+/-)-6-Hydroxy-3-oxo-alpha-ionol	(+/-)-6-Hydroxy-3-oxo-alpha-ionol [ C13 H20 O3, overall=72.20, db=72.20, KEGG ID=C04166, METLIN ID=66125 ]			(+/-)-6-Hydroxy-3-oxo-alpha-ionol	+	224.1413	1.1724287	72.2	C04166	(225.1489, 9305.79)(226.1515, 2124.77)(242.1793, 743.04)(466.3168, 970.75)(449.2894, 953.51)	FindByMolecularFeature	C13 H20 O3	21
26-Hydroxybrassinolide	26-Hydroxybrassinolide [ C28 H48 O7, overall=63.09, db=63.09, KEGG ID=C19874, METLIN ID=73406 ]			26-Hydroxybrassinolide	+	496.3403	1.3236191	63.09	C19874	(519.3304, 2135.85)(520.3344, 1366.45)(497.3474, 8496.36)(498.3497, 3035.89)(499.3606, 2175.03)(514.3746, 603.11)	FindByMolecularFeature	C28 H48 O7	21
2-Methylbutyroylcarnitine +1.2622858	2-Methylbutyroylcarnitine [ C12 H24 N O4, overall=97.17, db=97.17, CAS ID=31023-25-3, METLIN ID=5367, HMP ID=HMDB00378 ]	31023-25-3		2-Methylbutyroylcarnitine +1.2622858	+	245.1631	1.2622858	97.17		(246.1704, 42658.26)(247.1738, 6537.38)(248.1781, 1401.48)(508.37, 711.09)(491.331, 804.06)	FindByMolecularFeature	C12 H24 N O4	21	HMDB00378
2-oxo-docosanoic acid	2-oxo-docosanoic acid [ C22 H42 O3, overall=78.64, db=78.64, METLIN ID=35830 ]			2-oxo-docosanoic acid	+	371.3399	1.2497141	78.64		(372.347, 12022.19)(373.3497, 3548.25)	FindByMolecularFeature	C22 H42 O3	21
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid +1.1826668	3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid [ C24 H36 O4, overall=99.34, db=99.34, METLIN ID=42956 ]			3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid +1.1826668	+	388.2616	1.1826668	99.34		(411.2508, 13192.71)(412.2557, 3995.19)(799.5116, 57211.57)(800.5154, 30920.26)(801.518, 8620.46)(802.5224, 2132.06)(389.2686, 92592.78)(390.2722, 25377.92)(391.2807, 4819.54)(406.2957, 471993.16)(407.2987, 125657.68)(408.3016, 19646.23)(409.302, 3744.02)	FindByMolecularFeature	C24 H36 O4	21
3-Methylamino-1,2-propandiol +6.5626197	3-Methylamino-1,2-propandiol [ C4 H11 N O2, overall=85.56, db=85.56, CAS ID=40137-22-2, METLIN ID=44718 ]	40137-22-2		3-Methylamino-1,2-propandiol +6.5626197	+	105.0789	6.5626197	85.56		(106.0861, 17314.22)(107.0891, 1264.04)	FindByMolecularFeature	C4 H11 N O2	21
4-Heptyloxyphenol	4-Heptyloxyphenol [ C13 H20 O2, overall=83.87, db=83.87, CAS ID=13037-86-0, KEGG ID=C14236, METLIN ID=69898 ]	13037-86-0		4-Heptyloxyphenol	+	225.1735	1.1398572	83.87	C14236	(226.1808, 132673.4)(227.1846, 21184.94)	FindByMolecularFeature	C13 H20 O2	21
Acetylenic acids; 10-Heptadecen-8-ynoic acid, (E)-; Pyrulic acid	Acetylenic acids; 10-Heptadecen-8-ynoic acid, (E)-; Pyrulic acid [ C17 H28 O2, overall=82.11, db=82.11, Lipid ID=LMFA01030482, METLIN ID=74139 ]			Acetylenic acids; 10-Heptadecen-8-ynoic acid, (E)-; Pyrulic acid	+	264.2091	1.0921905	82.11		(287.2012, 3587.57)(265.2162, 5856.55)(266.2187, 1300.34)(529.4303, 558.6)	FindByMolecularFeature	C17 H28 O2	21		LMFA01030482
C10 H20 N4 +9.393856	[ C10 H20 N4, overall=43.30, db=0.00, mfg=86.59 ]			C10 H20 N4 +9.393856	+	196.169	9.393856	43.3		(197.1764, 21571.16)(198.1795, 2871.07)	FindByMolecularFeature	C10 H20 N4	21
C14 H28 Cl N3	[ C14 H28 Cl N3, overall=23.74, db=0.00, mfg=47.47 ]			C14 H28 Cl N3	+	273.1942	1.2620475	23.74		(296.1866, 609.04)(274.2021, 4451.57)(275.203, 1342.76)(276.2014, 3496.05)(277.2142, 0.0)(278.2093, 244.95)	FindByMolecularFeature	C14 H28 Cl N3	21
C17 H31 Cl3 N6 O16 S	[ C17 H31 Cl3 N6 O16 S, overall=36.28, db=0.00, mfg=72.56 ]			C17 H31 Cl3 N6 O16 S	+	712.0594	2.2493334	36.28		(713.0668, 10316.2)(714.0665, 1330.61)(715.0636, 8573.9)(716.0618, 1024.7)(717.0611, 4865.72)	FindByMolecularFeature	C17 H31 Cl3 N6 O16 S	21
C20 H24 N O3	[ C20 H24 N O3, overall=37.56, db=0.00, mfg=75.12 ]			C20 H24 N O3	+	326.1779	1.5710951	37.56		(349.1636, 2902.87)(327.1848, 6970.36)(328.1947, 2960.0)(329.1976, 587.01)(344.2107, 13319.73)(345.2153, 2582.1)	FindByMolecularFeature	C20 H24 N O3	21
C22:2n-9,17	C22:2n-9,17 [ C22 H40 O2, overall=95.46, db=95.46, Lipid ID=LMFA01030131, METLIN ID=73841 ]			C22:2n-9,17	+	353.329	1.1600001	95.46		(354.3366, 16515.57)(355.3394, 4248.68)(356.3465, 1000.01)	FindByMolecularFeature	C22 H40 O2	21		LMFA01030131
C24 H52 Cl N3 O2	[ C24 H52 Cl N3 O2, overall=32.74, db=0.00, mfg=65.47 ]			C24 H52 Cl N3 O2	+	449.3718	1.233381	32.74		(472.3592, 680.64)(450.3787, 2970.68)(451.3816, 1285.09)(452.3922, 982.32)	FindByMolecularFeature	C24 H52 Cl N3 O2	21
C27 H55 N S2	[ C27 H55 N S2, overall=37.00, db=0.00, mfg=73.99 ]			C27 H55 N S2	+	457.3757	1.1105714	37		(480.3651, 570.36)(458.3824, 4970.85)(459.386, 1279.16)(460.3929, 1015.0)	FindByMolecularFeature	C27 H55 N S2	21
C34 H19 Cl N4	[ C34 H19 Cl N4, overall=36.02, db=0.00, mfg=72.05 ]			C34 H19 Cl N4	+	518.1311	1.0360476	36.02		(519.1385, 5818.6)(520.1394, 3184.23)(521.1241, 4720.4)(522.1231, 1957.93)(523.1195, 1475.67)(536.1652, 47678.61)(537.1657, 24058.69)(538.1633, 18221.04)(1054.2946, 2172.11)(1055.2976, 2072.16)(1056.296, 2285.24)(1057.295, 1292.46)(1058.2928, 442.68)	FindByMolecularFeature	C34 H19 Cl N4	21
Cyclocreatine	Cyclocreatine [ C5 H9 N3 O2, overall=95.54, db=95.54, CAS ID=35404-50-3, METLIN ID=44140 ]	35404-50-3		Cyclocreatine	+	143.0696	2.156524	95.54		(309.1302, 551.56)(144.0768, 17346.69)(145.0801, 972.65)(146.0803, 592.76)(287.1486, 770.45)	FindByMolecularFeature	C5 H9 N3 O2	21
dodecanamide	dodecanamide [ C12 H25 N O, overall=59.25, db=59.25, Lipid ID=LMFA08010001, METLIN ID=75449 ]			dodecanamide	+	199.194	1.1833334	59.25		(200.2013, 4454.42)(201.203, 1310.18)(399.3948, 1141.94)	FindByMolecularFeature	C12 H25 N O	21		LMFA08010001
L-Alanine, N-propyl- +5.9496665	L-Alanine, N-propyl- [ C6 H13 N O2, overall=86.94, db=86.94, CAS ID=13013-28-0, METLIN ID=2074 ]	13013-28-0		L-Alanine, N-propyl- +5.9496665	+	131.0945	5.9496665	86.94		(154.0869, 1317.07)(132.1019, 35987.73)(133.1047, 3065.79)	FindByMolecularFeature	C6 H13 N O2	21
Mesobilirubinogen +1.4568094	Mesobilirubinogen [ C33 H44 N4 O6, overall=99.48, db=99.48, CAS ID=14684-37-8, KEGG ID=C05790, METLIN ID=58064, HMP ID=HMDB01898 ]	14684-37-8		Mesobilirubinogen +1.4568094	+	592.3264	1.4568094	99.48	C05790	(615.3151, 16641.9)(616.3186, 6093.87)(617.326, 2718.73)(593.3333, 94112.7)(594.3366, 34444.56)(595.34, 7872.17)(596.3404, 1809.49)	FindByMolecularFeature	C33 H44 N4 O6	21	HMDB01898
MID42251:24,24-difluoro-1?,25-dihydroxy-24a-homovitamin D3 / 24,24-difluoro-1?,25-dihydroxy-24a-homo	MID42251:24,24-difluoro-1?,25-dihydroxy-24a-homovitamin D3 / 24,24-difluoro-1?,25-dihydroxy-24a-homo [ C28 H44 F2 O3, overall=63.58, db=63.58, Lipid ID=LMST03020316, METLIN ID=42251 ]			MID42251:24,24-difluoro-1?,25-dihydroxy-24a-homovitamin D3 / 24,24-difluoro-1?,25-dihydroxy-24a-homo	+	488.307	6.2512856	63.58		(489.3142, 10748.42)(490.3174, 1746.28)	FindByMolecularFeature	C28 H44 F2 O3	21		LMST03020316
Oxandrolone	Oxandrolone [ C19 H30 O3, overall=34.67, db=34.67, CAS ID=, KEGG ID=C07346, METLIN ID=43287 ]			Oxandrolone	+	306.2198	1.0970953	34.67	C07346	(329.2124, 1108.77)(307.227, 11375.89)(308.2416, 3821.52)(324.2526, 6117.74)(325.2665, 2514.98)	FindByMolecularFeature	C19 H30 O3	21
PE(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	PE(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)) [ C43 H72 N O8 P, overall=92.93, db=92.93, KEGG ID=C00350, METLIN ID=60723, HMP ID=HMDB09327 ]			PE(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	+	783.4817	5.662334	92.93	C00350	(784.4895, 8845.46)(785.4931, 3532.94)(786.4976, 1092.78)	FindByMolecularFeature	C43 H72 N O8 P	21	HMDB09327
Powelline	Powelline [ C17 H19 N O4, overall=98.43, db=98.43, CAS ID=7363-25-9, KEGG ID=C12163, METLIN ID=69333 ]	7363-25-9		Powelline	+	318.1582	1.4918094	98.43	C12163	(319.1653, 56124.46)(320.1685, 11791.82)(321.172, 2550.11)	FindByMolecularFeature	C17 H19 N O4	21
Spirolucidine	Spirolucidine [ C30 H49 N3 O2, overall=59.57, db=59.57, CAS ID=89647-79-0, KEGG ID=C09903, METLIN ID=67997 ]	89647-79-0		Spirolucidine	+	505.3641	1.1473811	59.57	C09903	(506.3711, 5500.15)(507.3704, 3085.92)(508.3759, 1160.21)	FindByMolecularFeature	C30 H49 N3 O2	21
Tricaine	Tricaine [ C9 H11 N O2, overall=68.72, db=68.72, CAS ID=582-33-2, KEGG ID=C18090, METLIN ID=72021 ]	582-33-2		Tricaine	+	165.0791	5.83381	68.72	C18090	(166.0864, 8626.94)(167.089, 1119.83)(168.0749, 736.55)	FindByMolecularFeature	C9 H11 N O2	21
Trolamine	Trolamine [ C6 H15 N O3, overall=78.45, db=78.45, CAS ID=102-71-6, KEGG ID=C06771, METLIN ID=43365 ]	102-71-6		Trolamine	+	149.105	5.8744283	78.45	C06771	(150.1124, 11056.86)(151.1159, 1214.19)(152.1177, 1219.61)	FindByMolecularFeature	C6 H15 N O3	21
W123	W123 [ C17 H26 N2 O3, overall=97.61, db=97.61, METLIN ID=64710 ]			W123	+	306.1946	1.4319048	97.61		(329.184, 16907.27)(330.1868, 3261.93)(331.1867, 1020.4)(635.3775, 19615.98)(636.3815, 7551.84)(637.3833, 1716.75)(307.2024, 526811.7)(308.2052, 105353.25)(309.2099, 14770.25)(310.2128, 1731.39)(613.3951, 41102.67)(614.3987, 16588.85)(615.4017, 3428.39)	FindByMolecularFeature	C17 H26 N2 O3	21
(S)-Piperidine-2-carboxamide	(S)-Piperidine-2-carboxamide [ C6 H12 N2 O, overall=83.86, db=83.86, KEGG ID=C19809, METLIN ID=73373 ]			(S)-Piperidine-2-carboxamide	+	128.0948	9.25995	83.86	C19809	(129.102, 17191.57)(130.1039, 1649.53)	FindByMolecularFeature	C6 H12 N2 O	20
1-(3-Aminopropyl)-4-aminobutanal	1-(3-Aminopropyl)-4-aminobutanal [ C7 H16 N2 O, overall=99.81, db=99.81, CAS ID=, KEGG ID=, METLIN ID=62806, HMP ID=HMDB12135 ]			1-(3-Aminopropyl)-4-aminobutanal	+	144.1261	6.31905	99.81		(167.1156, 6684.57)(168.1196, 1623.62)(145.1337, 552970.4)(146.1367, 46743.01)(147.1382, 2961.2)	FindByMolecularFeature	C7 H16 N2 O	20	HMDB12135
12-oxo-10Z-octadecenoic acid +1.092	12-oxo-10Z-octadecenoic acid [ C18 H32 O3, overall=60.54, db=60.54, METLIN ID=35813 ]			12-oxo-10Z-octadecenoic acid +1.092	+	296.2353	1.092	60.54		(319.2256, 2921.6)(320.2309, 1216.42)(297.2425, 5366.25)(298.2415, 1567.73)(314.2692, 2466.2)(315.2659, 581.66)	FindByMolecularFeature	C18 H32 O3	20
1449.7152@5.69315				1449.7152@5.69315	+	1449.7152	5.69315			(1450.7236, 2746.92)(1451.7281, 951.58)	FindByMolecularFeature		20
2,4-Diamino-6-hydroxylaminotoluene	2,4-Diamino-6-hydroxylaminotoluene [ C7 H11 N3 O, overall=98.75, db=98.75, KEGG ID=C16399, METLIN ID=71187 ]			2,4-Diamino-6-hydroxylaminotoluene	+	153.0901	5.41585	98.75	C16399	(176.0794, 2156.48)(154.0975, 245727.5)(155.1009, 19341.42)(156.1047, 1307.22)	FindByMolecularFeature	C7 H11 N3 O	20
2'-Deoxyuridine	2'-Deoxyuridine [ C9 H12 N2 O5, overall=89.92, db=89.92, CAS ID=951-78-0, KEGG ID=C00526, METLIN ID=91 ]	951-78-0		2'-Deoxyuridine	+	245.1014	6.6805496	89.92	C00526	(246.1087, 25387.63)(247.1145, 2880.94)(248.1147, 787.96)	FindByMolecularFeature	C9 H12 N2 O5	20
537.1402@1.03315				537.1402@1.03315	+	537.1402	1.03315			(538.1474, 13100.86)(539.1465, 7733.56)(540.1454, 4823.51)(541.1445, 1517.23)	FindByMolecularFeature		20
609.1769@1.0228502				609.1769@1.0228502	+	609.1769	1.0228502			(610.1841, 14151.25)(611.1835, 9988.41)(612.1672, 27197.69)(613.1664, 15977.88)(614.1641, 11162.91)	FindByMolecularFeature		20
6-nonenal	6-nonenal [ C9 H16 O, overall=81.57, db=81.57, METLIN ID=36564 ]			6-nonenal	+	157.1469	1.1699	81.57		(158.1542, 9501.39)(159.1576, 1406.91)	FindByMolecularFeature	C9 H16 O	20
6-Oxocineole +1.26005	6-Oxocineole [ C10 H16 O2, overall=78.29, db=78.29, KEGG ID=C00848, METLIN ID=41067 ]			6-Oxocineole +1.26005	+	168.1153	1.26005	78.29	C00848	(191.1074, 1177.22)(359.218, 960.05)(169.1225, 6999.4)(170.1232, 922.76)(186.1487, 3365.88)(354.2618, 890.42)(337.2393, 1086.28)	FindByMolecularFeature	C10 H16 O2	20
7Z-hexadecen-1-ol	7Z-hexadecen-1-ol [ C16 H32 O, overall=99.34, db=99.34, Lipid ID=LMFA05000055, METLIN ID=36512 ]			7Z-hexadecen-1-ol	+	257.2719	4.1052003	99.34		(258.2795, 311790.1)(259.2827, 54160.03)(260.2859, 5039.24)(515.5508, 1399.48)	FindByMolecularFeature	C16 H32 O	20		LMFA05000055
8-tridecynoic acid	8-tridecynoic acid [ C13 H22 O2, overall=51.39, db=51.39, METLIN ID=35255 ]			8-tridecynoic acid	+	210.1622	1.17295	51.39		(233.1513, 810.45)(443.3132, 682.02)(211.1695, 10927.06)(212.169, 3367.71)(228.1958, 2960.76)(421.3317, 945.96)	FindByMolecularFeature	C13 H22 O2	20
Arborinine	Arborinine [ C16 H15 N O4, overall=92.93, db=92.93, CAS ID=5489-57-6, KEGG ID=C10643, METLIN ID=68458 ]	5489-57-6		Arborinine	+	302.1271	1.2205	92.93	C10643	(303.1343, 35747.98)(304.1378, 6794.4)(305.1462, 1613.18)(605.261, 941.28)	FindByMolecularFeature	C16 H15 N O4	20
Boc-Asn	Boc-Asn [ C9 H16 N2 O5, overall=97.63, db=97.63, CAS ID=7536-55-2, KEGG ID=C01410, METLIN ID=65591 ]	7536-55-2		Boc-Asn	+	232.1062	6.2085	97.63	C01410	(255.0958, 1934.58)(233.1135, 69197.95)(234.1173, 7657.43)(235.1224, 1223.18)(250.1392, 688.66)	FindByMolecularFeature	C9 H16 N2 O5	20
C13 H19 N8 O	[ C13 H19 N8 O, overall=34.58, db=0.00, mfg=69.16 ]			C13 H19 N8 O	+	303.1691	1.0920999	34.58		(304.1763, 7979.17)(305.1773, 2128.46)(321.2036, 1436.18)	FindByMolecularFeature	C13 H19 N8 O	20
C16 H23 N2	[ C16 H23 N2, overall=41.35, db=0.00, mfg=82.70 ]			C16 H23 N2	+	243.1839	1.33265	41.35		(266.1734, 1714.38)(244.191, 28766.33)(245.2026, 4956.09)(246.2017, 986.36)	FindByMolecularFeature	C16 H23 N2	20
C36 H26 Cl N2 O2	[ C36 H26 Cl N2 O2, overall=45.78, db=0.00, mfg=91.56 ]			C36 H26 Cl N2 O2	+	553.1685	1.0385499	45.78		(554.1758, 13028.25)(555.1766, 5829.63)(556.1751, 5099.93)(557.1756, 1441.6)(558.1729, 733.86)	FindByMolecularFeature	C36 H26 Cl N2 O2	20
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate +1.15105	Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate [ C24 H30 O6, overall=98.74, db=98.74, KEGG ID=C15440, METLIN ID=70909 ]			Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate +1.15105	+	414.2043	1.15105	98.74	C15440	(437.1936, 4798.37)(438.2, 1179.53)(415.2118, 218813.89)(416.2149, 53096.21)(417.2178, 10143.58)(418.2261, 1559.31)(432.2382, 194006.61)(433.2415, 50236.99)(434.245, 9130.0)(435.2484, 1233.38)	FindByMolecularFeature	C24 H30 O6	20
Gly Asp Arg	Gly Asp Arg [ C12 H22 N6 O6, overall=59.84, db=59.84, METLIN ID=21384 ]			Gly Asp Arg	+	363.19	1.1011499	59.84		(364.197, 8945.69)(365.2005, 3753.95)(366.1859, 4140.37)	FindByMolecularFeature	C12 H22 N6 O6	20
Lys Phe Gln	Lys Phe Gln [ C20 H31 N5 O5, overall=57.83, db=57.83, METLIN ID=22733 ]			Lys Phe Gln	+	421.2366	1.2674001	57.83		(444.2289, 1545.47)(445.2253, 738.21)(422.2438, 26729.78)(423.2476, 8639.55)(424.2528, 1449.68)	FindByMolecularFeature	C20 H31 N5 O5	20
Pargyline	Pargyline [ C11 H13 N, overall=48.41, db=48.41, CAS ID=306-07-0, KEGG ID=C07414, METLIN ID=44165 ]	306-07-0		Pargyline	+	159.1071	5.67345	48.41	C07414	(182.0963, 6308.83)(183.1051, 692.84)(160.1147, 4528.98)(161.1172, 461.5)(162.1127, 522.37)	FindByMolecularFeature	C11 H13 N	20
PE(18:3(9Z,12Z,15Z)/14:0) +5.02965	PE(18:3(9Z,12Z,15Z)/14:0) [ C37 H68 N O8 P, overall=44.86, db=44.86, Lipid ID=LMGP02010712, METLIN ID=76947 ]			PE(18:3(9Z,12Z,15Z)/14:0) +5.02965	+	702.5008	5.02965	44.86		(703.5074, 3883.24)(704.511, 1480.96)	FindByMolecularFeature	C37 H68 N O8 P	20		LMGP02010712
PI(15:0/18:4(6Z,9Z,12Z,15Z))	PI(15:0/18:4(6Z,9Z,12Z,15Z)) [ C42 H73 O13 P, overall=67.61, db=67.61, Lipid ID=LMGP06010116, METLIN ID=80138 ]			PI(15:0/18:4(6Z,9Z,12Z,15Z))	+	833.5023	1.3359501	67.61		(834.5094, 10102.45)(835.512, 7202.25)(836.515, 2554.7)(837.5177, 508.21)	FindByMolecularFeature	C42 H73 O13 P	20		LMGP06010116
Piperidine +5.1966996	Piperidine [ C5 H11 N, overall=83.39, db=83.39, CAS ID=110-89-4, KEGG ID=C01746, METLIN ID=64457 ]	110-89-4		Piperidine +5.1966996	+	85.0891	5.1966996	83.39	C01746	(86.0965, 143535.05)(87.0997, 13675.15)	FindByMolecularFeature	C5 H11 N	20
Pyrimidodiazepine	Pyrimidodiazepine [ C9 H11 N5 O2, overall=75.56, db=75.56, CAS ID=, KEGG ID=C02587, METLIN ID=63638 ]			Pyrimidodiazepine	+	221.0905	3.3379502	75.56	C02587	(244.0795, 5864.08)(245.0858, 835.51)(222.0976, 5851.67)(223.1022, 955.21)(224.1024, 601.82)	FindByMolecularFeature	C9 H11 N5 O2	20
(24S)-1?,24-dihydroxy-22-oxa-20-epivitamin D3 / (24S)-1?,24-dihydroxy-22-oxa-20-epicholecalciferol	(24S)-1?,24-dihydroxy-22-oxa-20-epivitamin D3 / (24S)-1?,24-dihydroxy-22-oxa-20-epicholecalciferol [ C26 H42 O4, overall=88.87, db=88.87, Lipid ID=LMST03020059, METLIN ID=41999 ]			(24S)-1?,24-dihydroxy-22-oxa-20-epivitamin D3 / (24S)-1?,24-dihydroxy-22-oxa-20-epicholecalciferol	+	418.3082	1.0373684	88.87		(441.3008, 2226.29)(419.3151, 29793.27)(420.3212, 9726.73)(421.3257, 1968.67)(436.3439, 18731.28)(437.3466, 6268.35)(438.3497, 1247.94)	FindByMolecularFeature	C26 H42 O4	19		LMST03020059
1127.3062@1.0661052				1127.3062@1.0661052	+	1127.3062	1.0661052			(1128.3142, 3804.5)(1129.315, 3833.04)(1130.3145, 3834.16)(1131.3121, 1084.44)(1132.3123, 2237.54)(1133.3112, 744.11)	FindByMolecularFeature		19
11-Ketoetiocholanolone	11-Ketoetiocholanolone [ C19 H28 O3, overall=56.60, db=56.60, Lipid ID=LMST02020087, KEGG ID=C14671, METLIN ID=57821 ]			11-Ketoetiocholanolone	+	304.2036	1.1163157	56.6	C14671	(305.2111, 30636.37)(306.21, 9785.95)	FindByMolecularFeature	C19 H28 O3	19		LMST02020087
11-Methyl-9Z,12-tridecadienyl acetate	11-Methyl-9Z,12-tridecadienyl acetate [ C16 H28 O2, overall=68.17, db=68.17, Lipid ID=LMFA05000328, METLIN ID=46279 ]			11-Methyl-9Z,12-tridecadienyl acetate	+	252.2094	1.1303684	68.17		(275.2005, 2531.05)(253.2166, 36060.32)(254.2162, 10394.23)(255.2195, 2684.65)(270.2429, 807.8)	FindByMolecularFeature	C16 H28 O2	19		LMFA05000328
15(R)-15-methyl Prostaglandin A2	15(R)-15-methyl Prostaglandin A2 [ C21 H32 O4, overall=82.68, db=82.68, METLIN ID=45405 ]			15(R)-15-methyl Prostaglandin A2	+	365.2562	4.1286325	82.68		(366.2634, 7469.7)(367.2672, 1880.23)	FindByMolecularFeature	C21 H32 O4	19
3-hexenedial	3-hexenedial [ C6 H8 O2, overall=57.12, db=57.12, Lipid ID=LMFA06000010, METLIN ID=36532 ]			3-hexenedial	+	112.0525	1.0810527	57.12		(113.0598, 7005.8)(114.0652, 1431.5)(115.0522, 585.37)	FindByMolecularFeature	C6 H8 O2	19		LMFA06000010
6,8-Dihydroxypurine	6,8-Dihydroxypurine [ C5 H4 N4 O2, overall=73.35, db=73.35, CAS ID=13231-00-0, METLIN ID=58027, HMP ID=HMDB01182 ]	13231-00-0		6,8-Dihydroxypurine	+	152.0338	1.981	73.35		(175.0231, 1307.07)(153.041, 10802.16)(154.0492, 942.76)(155.0476, 683.18)	FindByMolecularFeature	C5 H4 N4 O2	19	HMDB01182
710.0627@2.3228424				710.0627@2.3228424	+	710.0627	2.3228424			(711.0698, 7664.6)(712.0687, 1348.51)(713.0671, 10450.18)(714.0675, 1056.38)(715.0632, 8820.75)(716.0631, 634.24)	FindByMolecularFeature		19
7-nonynoic acid	7-nonynoic acid [ C9 H14 O2, overall=69.15, db=69.15, METLIN ID=35162 ]			7-nonynoic acid	+	154.0996	1.1783159	69.15		(331.1901, 1012.06)(155.1065, 3686.37)(156.1062, 663.29)(172.1335, 9801.63)(173.1355, 1885.97)(326.2315, 1150.0)(309.2063, 2943.83)	FindByMolecularFeature	C9 H14 O2	19
C10 H23 N3 O	[ C10 H23 N3 O, overall=49.57, db=0.00, mfg=99.15 ]			C10 H23 N3 O	+	201.1843	8.686894	49.57		(202.1917, 136236.8)(203.1949, 16228.49)(204.1973, 1095.19)	FindByMolecularFeature	C10 H23 N3 O	19
C12 H23 N O2	[ C12 H23 N O2, overall=38.34, db=0.00, mfg=76.68 ]			C12 H23 N O2	+	213.1735	1.2549475	38.34		(236.1644, 1360.39)(449.3308, 649.38)(214.1807, 13550.63)(215.183, 2665.44)	FindByMolecularFeature	C12 H23 N O2	19
C14 H17 N8 O	[ C14 H17 N8 O, overall=43.29, db=0.00, mfg=86.58 ]			C14 H17 N8 O	+	313.153	1.4499474	43.29		(336.1453, 1008.46)(314.1598, 12732.71)(315.1627, 2327.68)(331.1853, 695.59)	FindByMolecularFeature	C14 H17 N8 O	19
C20 H22 Cl2 N9 O16	[ C20 H22 Cl2 N9 O16, overall=35.62, db=0.00, mfg=71.23 ]			C20 H22 Cl2 N9 O16	+	714.0564	2.2927897	35.62		(715.0637, 8876.75)(716.0628, 908.04)(717.0611, 4925.16)	FindByMolecularFeature	C20 H22 Cl2 N9 O16	19
C30 H61 N O16	[ C30 H61 N O16, overall=49.93, db=0.00, mfg=99.86 ]			C30 H61 N O16	+	691.3988	5.077	49.93		(692.4061, 56018.26)(693.4093, 18846.04)(694.412, 4939.33)(695.4138, 952.61)	FindByMolecularFeature	C30 H61 N O16	19
C6 H15 Cl N2	[ C6 H15 Cl N2, overall=26.27, db=0.00, mfg=52.55 ]			C6 H15 Cl N2	+	150.0894	1.1802632	26.27		(151.0969, 11554.55)(152.1074, 1335.61)(153.092, 4364.1)(154.0891, 335.24)(168.1209, 1306.65)	FindByMolecularFeature	C6 H15 Cl N2	19
Carnitine	Carnitine [ C7 H16 N O3, overall=98.83, db=98.83, CAS ID=406-76-8, KEGG ID=C00487, METLIN ID=63461 ]	406-76-8		Carnitine	+	161.1053	7.1402106	98.83	C00487	(184.0958, 2379.12)(162.1124, 89664.53)(163.1163, 7931.0)(164.1171, 1253.59)	FindByMolecularFeature	C7 H16 N O3	19
Cymather aldehyde methyl ester	Cymather aldehyde methyl ester [ C12 H18 O3, overall=90.47, db=90.47, METLIN ID=65405 ]			Cymather aldehyde methyl ester	+	210.126	1.2529474	90.47		(233.1139, 991.53)(211.1332, 75380.78)(212.1378, 10850.71)(213.146, 2482.3)(228.1613, 1655.96)(438.2848, 966.44)	FindByMolecularFeature	C12 H18 O3	19
Dihydroxycarteolol M2 +2.9596314	Dihydroxycarteolol M2 [ C16 H24 N2 O5, overall=78.71, db=78.71, CAS ID=, METLIN ID=1556 ]			Dihydroxycarteolol M2 +2.9596314	+	324.1685	2.9596314	78.71		(347.1579, 2164.0)(348.1641, 945.65)(325.1758, 12663.15)(326.1786, 3042.48)	FindByMolecularFeature	C16 H24 N2 O5	19
Gabaculine	Gabaculine [ C7 H9 N O2, overall=96.79, db=96.79, CAS ID=87980-11-8, KEGG ID=C12110, METLIN ID=69310 ]	87980-11-8		Gabaculine	+	139.0633	6.372947	96.79	C12110	(140.0708, 19642.69)(141.0731, 1570.19)(142.0829, 327.63)(279.1311, 1229.38)	FindByMolecularFeature	C7 H9 N O2	19
Metergoline	Metergoline [ C25 H29 N3 O2, overall=62.06, db=62.06, CAS ID=17692-51-2, METLIN ID=44120 ]	17692-51-2		Metergoline	+	420.2524	5.570578	62.06		(421.2595, 40909.86)(422.2624, 4916.54)	FindByMolecularFeature	C25 H29 N3 O2	19
MRE-269	MRE-269 [ C25 H29 N3 O3, overall=74.18, db=74.18, CAS ID=475085-57-5, METLIN ID=64702 ]	475085-57-5		MRE-269	+	419.2208	1.2689474	74.18		(442.2102, 2803.54)(443.2157, 861.61)(420.2283, 13975.63)(421.2328, 4470.47)(422.242, 1808.27)(437.2569, 707.24)	FindByMolecularFeature	C25 H29 N3 O3	19
Otonecine	Otonecine [ C9 H15 N O3, overall=77.33, db=77.33, CAS ID=6887-34-9, KEGG ID=C10356, METLIN ID=68272 ]	6887-34-9		Otonecine	+	185.1055	6.8019996	77.33	C10356	(393.2033, 622.44)(186.1127, 18339.57)(187.1153, 3016.09)	FindByMolecularFeature	C9 H15 N O3	19
?-Hexalactone +1.1411667	?-Hexalactone [ C6 H10 O2, overall=78.45, db=78.45, CAS ID=823-22-3, METLIN ID=5442, HMP ID=HMDB00453 ]	823-22-3		?-Hexalactone +1.1411667	+	114.0681	1.1411667	78.45		(251.1219, 985.41)(115.0763, 2289.59)(246.1696, 1285.49)(229.1443, 5203.06)(230.1454, 738.27)	FindByMolecularFeature	C6 H10 O2	18	HMDB00453
10-Deacetyl-2-debenzoylbaccatin III +1.1528888	10-Deacetyl-2-debenzoylbaccatin III [ C22 H32 O9, overall=38.56, db=38.56, CAS ID=, KEGG ID=C11899, METLIN ID=64018 ]			10-Deacetyl-2-debenzoylbaccatin III +1.1528888	+	457.2278	1.1528888	38.56	C11899	(458.2351, 6691.63)(459.2376, 2897.2)	FindByMolecularFeature	C22 H32 O9	18
17beta-Hydroxy-7alpha-methylandrost-4-en-3-one	17beta-Hydroxy-7alpha-methylandrost-4-en-3-one [ C20 H30 O2, overall=72.70, db=72.70, CAS ID=7642-58-2, KEGG ID=C14588, METLIN ID=70183 ]	7642-58-2		17beta-Hydroxy-7alpha-methylandrost-4-en-3-one	+	280.2404	1.0970556	72.7	C14588	(303.2324, 10531.56)(304.2366, 3140.82)(281.2477, 5030.3)(282.2487, 1261.37)(298.2707, 813.53)(561.486, 887.07)	FindByMolecularFeature	C20 H30 O2	18
2-Hydroxyfelbamate	2-Hydroxyfelbamate [ C11 H14 N2 O5, overall=81.64, db=81.64, CAS ID=109482-32-8, KEGG ID=C16582, METLIN ID=2655 ]	109482-32-8		2-Hydroxyfelbamate	+	254.0905	6.3032775	81.64	C16582	(255.0977, 14709.42)(256.1011, 2517.55)	FindByMolecularFeature	C11 H14 N2 O5	18
3-Acetamidopropanal +2.0993886	3-Acetamidopropanal [ C5 H9 N O2, overall=99.80, db=99.80, KEGG ID=C18170, METLIN ID=72070 ]			3-Acetamidopropanal +2.0993886	+	115.0633	2.0993886	99.8	C18170	(253.1179, 1027.94)(116.0706, 165388.97)(117.0738, 9727.61)(118.0821, 893.02)(231.1338, 3680.64)(232.1448, 677.13)	FindByMolecularFeature	C5 H9 N O2	18
3-Acetamidopropanal +2.5709996	3-Acetamidopropanal [ C5 H9 N O2, overall=99.43, db=99.43, KEGG ID=C18170, METLIN ID=72070 ]			3-Acetamidopropanal +2.5709996	+	115.0633	2.5709996	99.43	C18170	(116.0706, 126232.3)(117.074, 7713.68)(118.0816, 1090.34)(231.1348, 6130.89)(232.1391, 1015.98)	FindByMolecularFeature	C5 H9 N O2	18
3-Oxo-5beta-chola-7,11-dien-24-oic Acid +1.1821666	3-Oxo-5beta-chola-7,11-dien-24-oic Acid [ C24 H34 O3, overall=96.21, db=96.21, Lipid ID=LMST04010333, METLIN ID=84642 ]			3-Oxo-5beta-chola-7,11-dien-24-oic Acid +1.1821666	+	370.2508	1.1821666	96.21		(371.2581, 88637.2)(372.262, 27364.53)(373.2643, 5194.8)	FindByMolecularFeature	C24 H34 O3	18		LMST04010333
4-(Trimethylammonio)but-2-enoate +6.6723886	4-(Trimethylammonio)but-2-enoate [ C7 H14 N O2, overall=87.73, db=87.73, KEGG ID=C04114, METLIN ID=66118 ]			4-(Trimethylammonio)but-2-enoate +6.6723886	+	143.0949	6.6723886	87.73	C04114	(309.1817, 2207.63)(310.1826, 668.2)(144.102, 26028.42)(145.1049, 2037.68)(161.1309, 1378.07)	FindByMolecularFeature	C7 H14 N O2	18
5-Methoxytryptophan	5-Methoxytryptophan [ C12 H14 N2 O3, overall=84.19, db=84.19, CAS ID=2504-22-5, METLIN ID=6631, HMP ID=HMDB02339 ]	2504-22-5		5-Methoxytryptophan	+	234.1011	1.572	84.19		(257.0902, 2331.93)(235.1084, 13291.31)(236.1115, 2084.85)	FindByMolecularFeature	C12 H14 N2 O3	18	HMDB02339
710.0625@2.2535				710.0625@2.2535	+	710.0625	2.2535			(711.0701, 8789.39)(712.0695, 1165.82)(713.0666, 11520.57)(714.0638, 1548.34)(715.0637, 9529.48)(716.0624, 998.33)	FindByMolecularFeature		18
7-nonynoic acid +1.3032776	7-nonynoic acid [ C9 H14 O2, overall=98.70, db=98.70, METLIN ID=35162 ]			7-nonynoic acid +1.3032776	+	154.0997	1.3032776	98.7		(155.1067, 6204.36)(156.1035, 1484.8)(157.0963, 1077.68)(172.1336, 72813.36)(173.1368, 8124.61)(174.1394, 1186.56)(309.2037, 1173.02)	FindByMolecularFeature	C9 H14 O2	18
7-Oxoheptanoic acid +6.545166	7-Oxoheptanoic acid [ C7 H12 O3, overall=98.41, db=98.41, KEGG ID=C16590, METLIN ID=71248 ]			7-Oxoheptanoic acid +6.545166	+	161.1052	6.545166	98.41	C16590	(162.1125, 123699.26)(163.1164, 9477.21)(164.1211, 2047.72)	FindByMolecularFeature	C7 H12 O3	18
alpha-Methylstyrene	alpha-Methylstyrene [ C9 H10, overall=76.29, db=76.29, CAS ID=98-83-9, KEGG ID=C14395, METLIN ID=70026 ]	98-83-9		alpha-Methylstyrene	+	118.0782	1.1353889	76.29	C14395	(259.1432, 608.39)(119.0856, 9233.76)(120.0902, 1413.6)	FindByMolecularFeature	C9 H10	18
Betaine +6.2143884	Betaine [ C5 H12 N O2, overall=69.78, db=69.78, CAS ID=107-43-7, KEGG ID=C00719, METLIN ID=287, HMP ID=HMDB00043 ]	107-43-7		Betaine +6.2143884	+	117.0789	6.2143884	69.78	C00719	(140.0708, 10401.87)(118.0862, 24149.42)(119.087, 2877.03)	FindByMolecularFeature	C5 H12 N O2	18	HMDB00043
C11 H29 N4 O2 S2	[ C11 H29 N4 O2 S2, overall=39.80, db=0.00, mfg=79.60 ]			C11 H29 N4 O2 S2	+	313.1736	6.1459446	39.8		(314.181, 6621.91)(315.1825, 879.7)(316.1851, 933.2)	FindByMolecularFeature	C11 H29 N4 O2 S2	18
C21 H37 N	[ C21 H37 N, overall=35.50, db=0.00, mfg=71.01 ]			C21 H37 N	+	303.2926	3.924889	35.5		(304.2999, 12060.56)(305.3035, 4113.53)	FindByMolecularFeature	C21 H37 N	18
C25 H47 N11	[ C25 H47 N11, overall=37.95, db=0.00, mfg=75.90 ]			C25 H47 N11	+	501.4023	1.1122779	37.95		(502.4094, 7329.49)(503.4121, 2742.91)	FindByMolecularFeature	C25 H47 N11	18
C31 H46 N O5	[ C31 H46 N O5, overall=44.37, db=0.00, mfg=88.74 ]			C31 H46 N O5	+	512.3363	1.3414444	44.37		(535.3255, 1481.21)(513.3437, 8442.46)(514.3502, 2544.55)(515.3519, 745.11)(530.3694, 1436.83)(531.3682, 991.01)	FindByMolecularFeature	C31 H46 N O5	18
C40 H25 N O2	[ C40 H25 N O2, overall=32.87, db=0.00, mfg=65.74 ]			C40 H25 N O2	+	551.1897	1.0264446	32.87		(552.1966, 34523.71)(553.1978, 17346.81)	FindByMolecularFeature	C40 H25 N O2	18
C7 H10 N2 O2	[ C7 H10 N2 O2, overall=49.48, db=0.00, mfg=98.96 ]			C7 H10 N2 O2	+	154.0741	6.308723	49.48		(177.0659, 1012.02)(155.0814, 164225.08)(156.0848, 14979.67)(157.094, 1236.05)	FindByMolecularFeature	C7 H10 N2 O2	18
C8 H2 Cl2 N S2 +2.3795	[ C8 H2 Cl2 N S2, overall=23.80, db=0.00, mfg=47.61 ]			C8 H2 Cl2 N S2 +2.3795	+	245.9006	2.3795	23.8		(246.9078, 2613.68)(263.9348, 2725.58)	FindByMolecularFeature	C8 H2 Cl2 N S2	18
CAY10621 +1.2436666	CAY10621 [ C26 H45 N O4, overall=96.35, db=96.35, CAS ID=120005-55-2, METLIN ID=45549 ]	120005-55-2		CAY10621 +1.2436666	+	435.3347	1.2436666	96.35		(436.3419, 12633.92)(437.3459, 3822.15)(438.3455, 927.41)	FindByMolecularFeature	C26 H45 N O4	18
Cefpodoxime proxetil	Cefpodoxime proxetil [ C21 H27 N5 O9 S2, overall=62.81, db=62.81, CAS ID=87239-81-4, KEGG ID=C08115, METLIN ID=1617 ]	87239-81-4		Cefpodoxime proxetil	+	557.1284	1.0807778	62.81	C08115	(558.1353, 7599.14)(559.136, 3761.51)(560.1322, 2873.96)(561.1352, 947.33)	FindByMolecularFeature	C21 H27 N5 O9 S2	18
Coniine	Coniine [ C8 H17 N, overall=64.44, db=64.44, CAS ID=458-88-8, KEGG ID=C06523, METLIN ID=3249 ]	458-88-8		Coniine	+	127.1358	4.782167	64.44	C06523	(150.1273, 817.64)(128.1428, 5895.98)(129.1454, 1177.01)	FindByMolecularFeature	C8 H17 N	18
Crassin Acetate	Crassin Acetate [ C22 H32 O5, overall=73.69, db=73.69, CAS ID=28068-69-1, METLIN ID=43734 ]	28068-69-1		Crassin Acetate	+	376.2257	5.2634997	73.69		(377.233, 23874.32)(378.2365, 2497.09)(379.2437, 718.48)	FindByMolecularFeature	C22 H32 O5	18
DG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] +1.1077223	DG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] [ C47 H80 O5, overall=89.08, db=89.08, Lipid ID=LMGL02010293, CAS ID=, METLIN ID=4668 ]			DG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] +1.1077223	+	724.6031	1.1077223	89.08		(747.593, 19967.39)(748.5955, 9783.1)(749.5993, 2425.04)(750.6015, 370.6)(725.6095, 3531.85)(726.6134, 1551.21)(727.6226, 1100.15)	FindByMolecularFeature	C47 H80 O5	18		LMGL02010293
Diacetyl	Diacetyl [ C4 H6 O2, overall=87.54, db=87.54, CAS ID=431-03-8, KEGG ID=C00741, METLIN ID=6921, HMP ID=HMDB03407 ]	431-03-8		Diacetyl	+	86.0368	6.691722	87.54	C00741	(87.0442, 19624.36)(88.0473, 1567.05)(104.0706, 108753.15)(105.0737, 6386.65)	FindByMolecularFeature	C4 H6 O2	18	HMDB03407
Dinotefuran	Dinotefuran [ C7 H14 N4 O3, overall=95.90, db=95.90, CAS ID=165252-70-0, KEGG ID=C18509, METLIN ID=72315 ]	165252-70-0		Dinotefuran	+	202.1069	7.0291114	95.9	C18509	(203.1139, 44204.03)(204.1174, 3686.75)(205.1257, 853.28)	FindByMolecularFeature	C7 H14 N4 O3	18
Echitovenine	Echitovenine [ C23 H28 N2 O4, overall=82.91, db=82.91, CAS ID=, KEGG ID=C11784, METLIN ID=64349 ]			Echitovenine	+	396.2052	1.3761667	82.91	C11784	(419.1956, 983.63)(397.2122, 14230.85)(398.216, 3686.71)	FindByMolecularFeature	C23 H28 N2 O4	18
Mequitazine +3.5794995	Mequitazine [ C20 H22 N2 S, overall=69.65, db=69.65, CAS ID=29216-28-2, KEGG ID=C12755, METLIN ID=69479 ]	29216-28-2		Mequitazine +3.5794995	+	322.1531	3.5794995	69.65	C12755	(345.142, 7904.06)(346.1447, 1853.99)(667.2961, 814.24)(323.1597, 22338.08)(324.1634, 4417.25)(325.1718, 1051.39)	FindByMolecularFeature	C20 H22 N2 S	18
MG(22:1(13Z)/0:0/0:0)	MG(22:1(13Z)/0:0/0:0) [ C25 H48 O4, overall=95.49, db=95.49, METLIN ID=62364, HMP ID=HMDB11582 ]			MG(22:1(13Z)/0:0/0:0)	+	429.3814	4.2646666	95.49		(430.3884, 15403.88)(431.3915, 4868.72)(432.3924, 833.08)	FindByMolecularFeature	C25 H48 O4	18	HMDB11582
Mitragynine	Mitragynine [ C23 H30 N2 O4, overall=63.42, db=63.42, CAS ID=4098-40-2, KEGG ID=C09226, METLIN ID=67533 ]	4098-40-2		Mitragynine	+	398.221	1.3657777	63.42	C09226	(421.2117, 960.74)(399.2294, 6077.73)(400.2315, 1385.1)(401.2141, 692.72)	FindByMolecularFeature	C23 H30 N2 O4	18
Nicotinate D-ribonucleoside	Nicotinate D-ribonucleoside [ C11 H14 N O6, overall=99.75, db=99.75, KEGG ID=C05841, METLIN ID=58552, HMP ID=HMDB06809 ]			Nicotinate D-ribonucleoside	+	255.0744	6.5967216	99.75	C05841	(278.0636, 2752.86)(256.0817, 76621.44)(257.0852, 9734.84)(258.0867, 1579.62)	FindByMolecularFeature	C11 H14 N O6	18	HMDB06809
OTK	OTK [ C19 H33 F3 O, overall=61.33, db=61.33, CAS ID=177987-23-4, METLIN ID=64851 ]	177987-23-4		OTK	+	356.2286	5.383222	61.33		(357.2359, 26399.77)(358.2396, 2751.88)	FindByMolecularFeature	C19 H33 F3 O	18
Palmitic amide +1.1666669	Palmitic amide [ C16 H33 N O, overall=86.98, db=86.98, CAS ID=629-54-9, METLIN ID=62905, HMP ID=HMDB12273 ]	629-54-9		Palmitic amide +1.1666669	+	255.2565	1.1666669	86.98		(278.2461, 1207.81)(256.2634, 10386.82)(257.2668, 1863.29)	FindByMolecularFeature	C16 H33 N O	18	HMDB12273
PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) [ C43 H68 N O8 P, overall=95.01, db=95.01, Lipid ID=LMGP02010977, METLIN ID=77212 ]			PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	+	779.4508	5.410555	95.01		(780.4584, 17635.3)(781.4613, 7190.06)(782.4639, 1945.75)	FindByMolecularFeature	C43 H68 N O8 P	18		LMGP02010977
Streptamine 4-phosphate	Streptamine 4-phosphate [ C6 H15 N2 O7 P, overall=57.02, db=57.02, KEGG ID=C03433, METLIN ID=65978 ]			Streptamine 4-phosphate	+	280.0442	1.0465	57.02	C03433	(281.0516, 13523.4)(282.0525, 3449.65)(283.0492, 2588.43)	FindByMolecularFeature	C6 H15 N2 O7 P	18
Symphytine	Symphytine [ C20 H31 N O6, overall=59.74, db=59.74, CAS ID=22571-95-5, KEGG ID=C10409, METLIN ID=68313 ]	22571-95-5		Symphytine	+	398.2391	5.425945	59.74	C10409	(399.2463, 24133.91)(400.2493, 2088.87)(401.2547, 577.19)	FindByMolecularFeature	C20 H31 N O6	18
Thromboxanoic acid skeleton	Thromboxanoic acid skeleton [ C20 H36 O4, overall=99.08, db=99.08, Lipid ID=LMFA03030000, METLIN ID=45967 ]			Thromboxanoic acid skeleton	+	340.2614	1.1838889	99.08		(363.2513, 1274.57)(364.2474, 966.81)(341.2686, 37236.09)(342.2719, 8201.7)(343.2756, 1761.19)	FindByMolecularFeature	C20 H36 O4	18		LMFA03030000
trans-2-Phenylcyclopropanecarboxylic acid +1.0668889	trans-2-Phenylcyclopropanecarboxylic acid [ C10 H10 O2, overall=82.32, db=82.32, CAS ID=939-90-2, KEGG ID=C15419, METLIN ID=70888 ]	939-90-2		trans-2-Phenylcyclopropanecarboxylic acid +1.0668889	+	162.0686	1.0668889	82.32	C15419	(163.0757, 11400.2)(164.0786, 1693.32)	FindByMolecularFeature	C10 H10 O2	18
(E)-2-Butenyl-4-methyl-threonine +1.5274118	(E)-2-Butenyl-4-methyl-threonine [ C9 H17 N O3, overall=64.95, db=64.95, CAS ID=81135-57-1, KEGG ID=C12029, METLIN ID=69263 ]	81135-57-1		(E)-2-Butenyl-4-methyl-threonine +1.5274118	+	187.1214	1.5274118	64.95	C12029	(210.1122, 5349.73)(211.1196, 1143.92)(397.2363, 843.77)(188.1285, 14480.3)(189.1359, 2343.68)	FindByMolecularFeature	C9 H17 N O3	17
1,8-Diazacyclotetradecane-2,9-dione +6.753293	1,8-Diazacyclotetradecane-2,9-dione [ C12 H22 N2 O2, overall=99.42, db=99.42, KEGG ID=C04277, METLIN ID=66151 ]			1,8-Diazacyclotetradecane-2,9-dione +6.753293	+	243.1947	6.753293	99.42	C04277	(244.2021, 51673.9)(245.2051, 8026.23)(246.2072, 1104.29)	FindByMolecularFeature	C12 H22 N2 O2	17
1053.289@1.0432353				1053.289@1.0432353	+	1053.289	1.0432353			(1054.2961, 5773.13)(1055.2958, 5574.6)(1056.2952, 5734.37)(1057.2935, 3447.64)(1058.2946, 2173.67)(1059.2917, 523.82)	FindByMolecularFeature		17
1145.3177@1.0061766				1145.3177@1.0061766	+	1145.3177	1.0061766			(1146.3254, 13873.71)(1147.3257, 14143.83)(1148.3247, 15874.55)(1149.3235, 10948.53)(1150.322, 6901.29)(1151.3217, 3381.8)(1152.3175, 1851.6)	FindByMolecularFeature		17
1-Nitro-5,6-dihydroxy-dihydronaphthalene +1.6002351	1-Nitro-5,6-dihydroxy-dihydronaphthalene [ C10 H9 N O4, overall=97.44, db=97.44, KEGG ID=C14801, METLIN ID=70333 ]			1-Nitro-5,6-dihydroxy-dihydronaphthalene +1.6002351	+	207.0538	1.6002351	97.44	C14801	(230.0432, 12882.12)(231.046, 1728.31)(437.0959, 4876.62)(438.1016, 1343.54)(208.0609, 42169.86)(209.0643, 5636.88)(210.0664, 992.7)(225.0862, 586.96)	FindByMolecularFeature	C10 H9 N O4	17
2-Benzimidazolylguanidine	2-Benzimidazolylguanidine [ C8 H9 N5, overall=87.82, db=87.82, CAS ID=5418-95-1, KEGG ID=C10898, METLIN ID=68668 ]	5418-95-1		2-Benzimidazolylguanidine	+	175.086	7.648353	87.82	C10898	(198.0806, 605.6)(176.0936, 32177.3)(177.0981, 2427.59)(178.0991, 849.02)	FindByMolecularFeature	C8 H9 N5	17
2-Hexynoic acid, 6-hydroxy- +7.239529	2-Hexynoic acid, 6-hydroxy- [ C6 H8 O3, overall=36.47, db=36.47, Lipid ID=LMFA01050273, METLIN ID=74637 ]			2-Hexynoic acid, 6-hydroxy- +7.239529	+	150.028	7.239529	36.47		(151.0353, 25855.89)(152.0371, 4787.4)(153.0333, 3515.3)	FindByMolecularFeature	C6 H8 O3	17		LMFA01050273
3-Hydroxyisovalerylcarnitine	3-Hydroxyisovalerylcarnitine [ C12 H24 N O5, overall=62.59, db=62.59, CAS ID=, METLIN ID=6505, HMP ID=HMDB02138 ]			3-Hydroxyisovalerylcarnitine	+	244.1318	1.3442354	62.59		(267.1207, 2575.18)(268.1233, 598.72)(245.1401, 1771.1)(246.1407, 1064.11)(262.1656, 6500.07)(263.1665, 1267.21)(264.1617, 842.63)	FindByMolecularFeature	C12 H24 N O5	17	HMDB02138
4-Vinylcyclohexene	4-Vinylcyclohexene [ C8 H12, overall=87.97, db=87.97, CAS ID=100-40-3, KEGG ID=C19310, METLIN ID=73021 ]	100-40-3		4-Vinylcyclohexene	+	108.0938	1.1489999	87.97	C19310	(131.0822, 1163.32)(109.1011, 17474.59)(110.1044, 1516.52)	FindByMolecularFeature	C8 H12	17
6E-Dodecen-1-ol	6E-Dodecen-1-ol [ C12 H24 O, overall=82.72, db=82.72, Lipid ID=LMFA05000147, METLIN ID=46099 ]			6E-Dodecen-1-ol	+	201.2093	4.6967053	82.72		(202.2169, 7876.9)(203.2198, 1384.71)	FindByMolecularFeature	C12 H24 O	17		LMFA05000147
6-Imino-5-oxocyclohexa-1,3-dienecarboxylate	6-Imino-5-oxocyclohexa-1,3-dienecarboxylate [ C7 H5 N O3, overall=47.16, db=47.16, KEGG ID=C04584, METLIN ID=66215 ]			6-Imino-5-oxocyclohexa-1,3-dienecarboxylate	+	151.0276	1.327647	47.16	C04584	(152.0345, 6000.94)(169.0618, 5600.2)(170.0638, 919.76)	FindByMolecularFeature	C7 H5 N O3	17
9,10-epoxy-13-hydroxy-11-octadecenoic acid +1.2173529	9,10-epoxy-13-hydroxy-11-octadecenoic acid [ C18 H32 O4, overall=65.44, db=65.44, KEGG ID=C14834, METLIN ID=35864 ]			9,10-epoxy-13-hydroxy-11-octadecenoic acid +1.2173529	+	312.2302	1.2173529	65.44	C14834	(335.2158, 852.85)(313.238, 2772.0)(314.2392, 1012.24)(315.245, 1141.79)(330.2627, 830.19)	FindByMolecularFeature	C18 H32 O4	17
9E,11-Dodecadienal	9E,11-Dodecadienal [ C12 H20 O, overall=48.55, db=48.55, Lipid ID=LMFA06000153, METLIN ID=46443 ]			9E,11-Dodecadienal	+	180.1517	1.1404706	48.55		(181.1589, 4194.23)(182.1624, 1134.88)(198.1855, 26019.86)(199.1917, 8362.77)	FindByMolecularFeature	C12 H20 O	17		LMFA06000153
9Z,12E,15Z-octadecatrienoic acid	9Z,12E,15Z-octadecatrienoic acid [ C18 H30 O2, overall=76.74, db=76.74, METLIN ID=35016 ]			9Z,12E,15Z-octadecatrienoic acid	+	278.2247	1.0987647	76.74		(301.2149, 2675.68)(302.2184, 916.46)(279.2319, 5215.47)(280.2343, 1134.39)(296.2586, 27895.4)(297.2579, 5553.89)(574.4796, 1099.26)(557.4545, 1441.3)	FindByMolecularFeature	C18 H30 O2	17
Brosimacutin B	Brosimacutin B [ C20 H22 O6, overall=61.81, db=61.81, Lipid ID=LMPK12140043, METLIN ID=52533 ]			Brosimacutin B	+	375.1687	1.0831176	61.81		(376.1768, 6907.08)(377.1776, 2351.03)	FindByMolecularFeature	C20 H22 O6	17		LMPK12140043
C12 H27 N4 O3	[ C12 H27 N4 O3, overall=33.74, db=0.00, mfg=67.49 ]			C12 H27 N4 O3	+	275.2091	1.1749412	33.74		(298.1977, 708.64)(276.2167, 9472.5)(277.2197, 2512.16)(278.2066, 1101.57)	FindByMolecularFeature	C12 H27 N4 O3	17
C13 H38 N9 O9	[ C13 H38 N9 O9, overall=43.12, db=0.00, mfg=86.24 ]			C13 H38 N9 O9	+	464.2785	5.8464704	43.12		(465.286, 16413.91)(466.2881, 1793.87)(467.2985, 508.2)	FindByMolecularFeature	C13 H38 N9 O9	17
C18 H32 N2 O3	[ C18 H32 N2 O3, overall=49.87, db=0.00, mfg=99.74 ]			C18 H32 N2 O3	+	324.2413	1.6841764	49.87		(347.2302, 1852.57)(348.2338, 817.31)(325.2486, 53644.11)(326.252, 11430.02)(327.2533, 1343.79)	FindByMolecularFeature	C18 H32 N2 O3	17
C19 H39 N O4	[ C19 H39 N O4, overall=42.02, db=0.00, mfg=84.05 ]			C19 H39 N O4	+	345.2879	1.095353	42.02		(368.2783, 950.4)(346.2951, 9533.9)(347.2994, 2032.8)(363.3254, 586.61)	FindByMolecularFeature	C19 H39 N O4	17
C31 H58 N15 O3	[ C31 H58 N15 O3, overall=35.25, db=0.00, mfg=70.50 ]			C31 H58 N15 O3	+	688.4845	5.0537653	35.25		(689.4918, 2994.85)(690.4976, 1054.29)	FindByMolecularFeature	C31 H58 N15 O3	17
C31 H59 N8 O12	[ C31 H59 N8 O12, overall=49.68, db=0.00, mfg=99.36 ]			C31 H59 N8 O12	+	735.425	5.2459407	49.68		(736.4323, 30593.98)(737.4359, 11379.39)(738.4372, 3007.84)(739.4424, 213.99)	FindByMolecularFeature	C31 H59 N8 O12	17
C36 H58 N7 O3	[ C36 H58 N7 O3, overall=35.39, db=0.00, mfg=70.79 ]			C36 H58 N7 O3	+	636.4612	4.7281766	35.39		(637.4684, 3943.62)(638.4697, 1699.45)	FindByMolecularFeature	C36 H58 N7 O3	17
C38 H56 N11	[ C38 H56 N11, overall=36.03, db=0.00, mfg=72.05 ]			C38 H56 N11	+	666.4708	4.9652357	36.03		(667.4789, 2919.23)(668.4811, 1226.72)	FindByMolecularFeature	C38 H56 N11	17
C38 H73 N11	[ C38 H73 N11, overall=48.93, db=0.00, mfg=97.87 ]			C38 H73 N11	+	683.6055	1.0245882	48.93		(684.6127, 9033.24)(685.616, 4325.9)(686.6177, 1147.28)	FindByMolecularFeature	C38 H73 N11	17
D-?-Hydroxyglutaric acid	D-?-Hydroxyglutaric acid [ C5 H8 O5, overall=57.41, db=57.41, CAS ID=103404-90-6, METLIN ID=45075 ]	103404-90-6		D-?-Hydroxyglutaric acid	+	148.0375	1.0508823	57.41		(149.0452, 18851.57)(150.046, 2774.48)(151.0443, 1345.29)(297.0828, 70976.29)(298.0837, 19203.26)(299.081, 12441.81)(300.081, 2713.3)	FindByMolecularFeature	C5 H8 O5	17
DG(20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z)/0:0)[iso2] +1.1175295	DG(20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z)/0:0)[iso2] [ C45 H76 O5, overall=87.57, db=87.57, Lipid ID=LMGL02010246, METLIN ID=36788 ]			DG(20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z)/0:0)[iso2] +1.1175295	+	696.5717	1.1175295	87.57		(719.5609, 6920.07)(720.564, 3001.15)(721.5679, 602.02)(697.5786, 1523.21)(698.5781, 990.79)(714.6059, 70463.85)(715.6089, 30374.13)(716.612, 7936.45)(717.6148, 1529.64)	FindByMolecularFeature	C45 H76 O5	17		LMGL02010246
Dihydroxycarteolol M2 +3.5043528	Dihydroxycarteolol M2 [ C16 H24 N2 O5, overall=83.05, db=83.05, CAS ID=, METLIN ID=1556 ]			Dihydroxycarteolol M2 +3.5043528	+	324.1686	3.5043528	83.05		(347.1579, 3867.14)(348.1631, 972.23)(325.1759, 9120.82)(326.1791, 1961.07)	FindByMolecularFeature	C16 H24 N2 O5	17
L-O-Methylthreonine	L-O-Methylthreonine [ C5 H11 N O3, overall=97.36, db=97.36, CAS ID=88642-93-7, METLIN ID=44769 ]	88642-93-7		L-O-Methylthreonine	+	133.0736	6.6881175	97.36		(156.0641, 659.65)(134.081, 35592.9)(135.0844, 2654.85)(136.0889, 862.3)	FindByMolecularFeature	C5 H11 N O3	17
L-Urobilin +1.5038234	L-Urobilin [ C33 H46 N4 O6, overall=99.62, db=99.62, CAS ID=34217-90-8, KEGG ID=C05793, METLIN ID=7022, HMP ID=HMDB04159 ]	34217-90-8		L-Urobilin +1.5038234	+	594.3417	1.5038234	99.62	C05793	(617.3307, 13330.48)(618.3338, 4679.04)(619.3345, 1509.03)(595.3495, 380513.44)(596.3524, 145372.36)(597.3551, 30465.39)(598.3586, 4733.75)(599.3606, 423.46)	FindByMolecularFeature	C33 H46 N4 O6	17	HMDB04159
Lys Ser Arg	Lys Ser Arg [ C15 H31 N7 O5, overall=52.66, db=52.66, METLIN ID=16224 ]			Lys Ser Arg	+	389.2413	4.616118	52.66		(390.2483, 4316.21)(391.2497, 1481.07)	FindByMolecularFeature	C15 H31 N7 O5	17
MG(20:1(11Z)/0:0/0:0)	MG(20:1(11Z)/0:0/0:0) [ C23 H44 O4, overall=98.65, db=98.65, METLIN ID=62355, HMP ID=HMDB11573 ]			MG(20:1(11Z)/0:0/0:0)	+	401.3504	4.306647	98.65		(402.3576, 22040.34)(403.3612, 6000.94)(404.363, 1299.87)	FindByMolecularFeature	C23 H44 O4	17	HMDB11573
N1,N12-Diacetylspermine	N1,N12-Diacetylspermine [ C14 H30 N4 O2, overall=99.53, db=99.53, CAS ID=61345-83-3, KEGG ID=C03413, METLIN ID=6525, HMP ID=HMDB02172 ]	61345-83-3		N1,N12-Diacetylspermine	+	286.237	9.388353	99.53	C03413	(287.2443, 98031.13)(288.2476, 16403.95)(289.2501, 1517.46)	FindByMolecularFeature	C14 H30 N4 O2	17	HMDB02172
N2-Acetyl-L-aminoadipate	N2-Acetyl-L-aminoadipate [ C8 H13 N O5, overall=98.17, db=98.17, CAS ID=, KEGG ID=C12986, METLIN ID=63446 ]			N2-Acetyl-L-aminoadipate	+	203.0796	6.238411	98.17	C12986	(226.0692, 351131.72)(227.0721, 33001.66)(228.0748, 4841.25)(229.0805, 632.13)(429.1471, 18853.08)(430.1503, 3975.59)(204.087, 80855.3)(205.0906, 8325.69)(206.096, 1972.0)	FindByMolecularFeature	C8 H13 N O5	17
N8-Acetylspermidine +8.93847	N8-Acetylspermidine [ C9 H21 N3 O, overall=87.49, db=87.49, CAS ID=34450-15-2, KEGG ID=C01029, METLIN ID=24072 ]	34450-15-2		N8-Acetylspermidine +8.93847	+	187.1686	8.93847	87.49	C01029	(188.1759, 54761.75)(189.1788, 5626.98)	FindByMolecularFeature	C9 H21 N3 O	17
N-D-Ribosylpurine	N-D-Ribosylpurine [ C10 H12 N4 O4, overall=82.59, db=82.59, KEGG ID=C15586, METLIN ID=70974 ]			N-D-Ribosylpurine	+	252.0865	3.0400004	82.59	C15586	(275.0754, 14192.96)(276.0792, 2117.79)(527.1607, 2586.03)(253.0935, 10725.01)(254.0978, 1768.29)(505.1786, 12286.28)(506.1825, 2878.56)(507.1839, 793.77)	FindByMolecularFeature	C10 H12 N4 O4	17
TG(8:0/8:0/8:0)	TG(8:0/8:0/8:0) [ C27 H50 O6, overall=77.74, db=77.74, KEGG ID=C13044, METLIN ID=62029, HMP ID=HMDB11187 ]			TG(8:0/8:0/8:0)	+	487.3874	1.0387647	77.74	C13044	(488.3944, 6360.34)(489.3983, 2099.47)	FindByMolecularFeature	C27 H50 O6	17	HMDB11187
?methasone valerate	?methasone valerate [ C27 H37 F O6, overall=85.28, db=85.28, CAS ID=2152-44-5, METLIN ID=3937 ]	2152-44-5		?methasone valerate	+	493.2858	3.6741874	85.28		(494.2929, 10983.28)(495.2968, 3500.49)(496.2949, 1162.98)	FindByMolecularFeature	C27 H37 F O6	16
14-Fluoro-11Z-tetradecenyl acetate	14-Fluoro-11Z-tetradecenyl acetate [ C16 H29 F O2, overall=75.18, db=75.18, Lipid ID=LMFA05000378, METLIN ID=46329 ]			14-Fluoro-11Z-tetradecenyl acetate	+	272.2147	1.0871251	75.18		(295.2048, 11291.37)(296.2115, 2146.51)(273.2212, 6214.58)(274.2278, 1974.53)	FindByMolecularFeature	C16 H29 F O2	16		LMFA05000378
1517.7036@5.6935625				1517.7036@5.6935625	+	1517.7036	5.6935625			(1518.7126, 2150.2)(1519.713, 1108.98)	FindByMolecularFeature		16
1-Aminocyclohexanecarboxylic acid +4.9695625	1-Aminocyclohexanecarboxylic acid [ C7 H13 N O2, overall=87.77, db=87.77, CAS ID=2756-85-6, METLIN ID=6589, HMP ID=HMDB02279 ]	2756-85-6		1-Aminocyclohexanecarboxylic acid +4.9695625	+	143.0947	4.9695625	87.77		(144.102, 193742.75)(145.1051, 14924.71)	FindByMolecularFeature	C7 H13 N O2	16	HMDB02279
2'-Deoxymugineic acid	2'-Deoxymugineic acid [ C12 H20 N2 O7, overall=98.07, db=98.07, CAS ID=74235-24-8, KEGG ID=C15485, METLIN ID=70941 ]	74235-24-8		2'-Deoxymugineic acid	+	304.1271	6.0716867	98.07	C15485	(327.1157, 638.13)(305.1343, 21062.43)(306.1383, 3234.23)(307.1379, 725.56)	FindByMolecularFeature	C12 H20 N2 O7	16
2-tetracosanamidoethanesulfonic acid	2-tetracosanamidoethanesulfonic acid [ C26 H53 N O4 S, overall=43.70, db=43.70, CAS ID=807370-75-8, METLIN ID=3736 ]	807370-75-8		2-tetracosanamidoethanesulfonic acid	+	475.3691	1.108375	43.7		(476.3768, 2344.23)(477.3869, 1041.2)	FindByMolecularFeature	C26 H53 N O4 S	16
3,6-dioxo-decanoic acid	3,6-dioxo-decanoic acid [ C10 H16 O4, overall=63.66, db=63.66, Lipid ID=LMFA01060079, METLIN ID=74717 ]			3,6-dioxo-decanoic acid	+	217.1319	1.207625	63.66		(218.1392, 4773.62)(219.1377, 559.94)(220.141, 573.05)	FindByMolecularFeature	C10 H16 O4	16		LMFA01060079
3-Buten-1-amine	3-Buten-1-amine [ C4 H9 N, overall=85.52, db=85.52, KEGG ID=C12244, METLIN ID=69390 ]			3-Buten-1-amine	+	71.0734	8.513562	85.52	C12244	(72.0806, 61189.88)(73.084, 2659.23)(89.1073, 76657.03)(90.11, 5968.69)	FindByMolecularFeature	C4 H9 N	16
4-Guanidino-1-butanol	4-Guanidino-1-butanol [ C5 H13 N3 O, overall=87.32, db=87.32, KEGG ID=C17146, METLIN ID=71589 ]			4-Guanidino-1-butanol	+	131.1056	5.4043746	87.32	C17146	(285.1986, 916.21)(132.1129, 74934.61)(133.1158, 4475.85)	FindByMolecularFeature	C5 H13 N3 O	16
5?-Androstan-3?,17?-Diol	5?-Androstan-3?,17?-Diol [ C19 H32 O2, overall=71.76, db=71.76, CAS ID=, METLIN ID=43953 ]			5?-Androstan-3?,17?-Diol	+	292.2402	1.081375	71.76		(315.2259, 818.16)(293.2476, 10433.17)(294.2496, 3057.66)(310.2726, 1705.2)	FindByMolecularFeature	C19 H32 O2	16
6-methyltetrahydropterin	6-methyltetrahydropterin [ C7 H11 N5 O, overall=56.99, db=56.99, CAS ID=942-41-6, METLIN ID=6572, HMP ID=HMDB02249 ]	942-41-6		6-methyltetrahydropterin	+	181.0978	2.784	56.99		(182.1047, 9842.45)(183.1083, 2078.29)(184.0973, 2254.68)(380.2302, 790.82)	FindByMolecularFeature	C7 H11 N5 O	16	HMDB02249
8-Hydroxyadenine	8-Hydroxyadenine [ C5 H5 N5 O, overall=80.65, db=80.65, CAS ID=21149-26-8, METLIN ID=5527, HMP ID=HMDB00542 ]	21149-26-8		8-Hydroxyadenine	+	151.0497	3.8728752	80.65		(152.057, 26533.52)(153.0645, 1860.35)(154.0518, 862.47)	FindByMolecularFeature	C5 H5 N5 O	16	HMDB00542
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid	9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid [ C18 H34 O6, overall=98.14, db=98.14, Lipid ID=LMFA01040012, METLIN ID=74455 ]			9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid	+	346.2363	1.3774376	98.14		(369.2249, 12612.1)(370.229, 2994.77)(371.2394, 578.98)(347.2427, 34313.35)(348.2464, 7383.6)(349.2478, 1829.65)(364.2696, 14364.43)(365.272, 3289.6)(366.2729, 887.33)	FindByMolecularFeature	C18 H34 O6	16		LMFA01040012
all-trans-hexaprenyl diphosphate +4.4986877	all-trans-hexaprenyl diphosphate [ C30 H52 O7 P2, overall=91.43, db=91.43, Lipid ID=LMPR03030005, KEGG ID=C01230, METLIN ID=53853 ]			all-trans-hexaprenyl diphosphate +4.4986877	+	603.3459	4.4986877	91.43	C01230	(604.3537, 18962.5)(605.3573, 5584.15)(606.3584, 1949.27)	FindByMolecularFeature	C30 H52 O7 P2	16		LMPR03030005
Axisothiocyanate 3 +1.12825	Axisothiocyanate 3 [ C16 H25 N S, overall=68.54, db=68.54, CAS ID=59633-81-7, KEGG ID=C17007, METLIN ID=71497 ]	59633-81-7		Axisothiocyanate 3 +1.12825	+	263.1738	1.12825	68.54	C17007	(286.1627, 708.46)(264.181, 7178.81)(265.1841, 1413.5)(266.1752, 700.92)	FindByMolecularFeature	C16 H25 N S	16
C12 H20 O5	[ C12 H20 O5, overall=41.80, db=0.00, mfg=83.60 ]			C12 H20 O5	+	244.1319	1.6451875	41.8		(267.1214, 4290.28)(268.1239, 565.13)(269.1305, 874.84)(245.1387, 10717.74)(246.143, 1620.81)(262.1655, 2980.96)(263.1663, 1308.24)	FindByMolecularFeature	C12 H20 O5	16
C14 H35 N4 S2	[ C14 H35 N4 S2, overall=38.55, db=0.00, mfg=77.11 ]			C14 H35 N4 S2	+	323.2325	1.26275	38.55		(346.2248, 758.31)(324.2384, 4727.69)(325.2412, 1342.9)(326.238, 847.92)(341.2677, 1359.85)	FindByMolecularFeature	C14 H35 N4 S2	16
C15 H34 N3 O3	[ C15 H34 N3 O3, overall=23.79, db=0.00, mfg=47.58 ]			C15 H34 N3 O3	+	304.2612	1.16925	23.79		(305.2674, 2309.02)(322.2951, 5144.27)(323.2972, 1663.98)(324.2797, 4403.18)	FindByMolecularFeature	C15 H34 N3 O3	16
C16 H39 N4 O S2	[ C16 H39 N4 O S2, overall=35.77, db=0.00, mfg=71.54 ]			C16 H39 N4 O S2	+	367.2571	1.2041875	35.77		(368.2646, 3933.43)(369.265, 1461.46)(370.2627, 918.73)	FindByMolecularFeature	C16 H39 N4 O S2	16
C18 H14 N O3 S2	[ C18 H14 N O3 S2, overall=34.96, db=0.00, mfg=69.92 ]			C18 H14 N O3 S2	+	356.0434	1.1019374	34.96		(357.0503, 8432.19)(358.0501, 2981.99)(359.0468, 1880.3)	FindByMolecularFeature	C18 H14 N O3 S2	16
C19 H47 N16 O8	[ C19 H47 N16 O8, overall=48.01, db=0.00, mfg=96.02 ]			C19 H47 N16 O8	+	627.3756	6.954313	48.01		(628.3829, 57340.16)(629.3861, 14056.08)(630.3894, 1337.97)	FindByMolecularFeature	C19 H47 N16 O8	16
C22 H26 N11 O3 S2	[ C22 H26 N11 O3 S2, overall=43.40, db=0.00, mfg=86.80 ]			C22 H26 N11 O3 S2	+	556.1672	1.0386873	43.4		(557.175, 26571.59)(558.1731, 9383.27)(559.172, 3492.83)(560.1669, 825.76)	FindByMolecularFeature	C22 H26 N11 O3 S2	16
C27 H47 N8 O	[ C27 H47 N8 O, overall=40.36, db=0.00, mfg=80.73 ]			C27 H47 N8 O	+	499.3871	1.0895	40.36		(500.3943, 14335.96)(501.3978, 4629.15)	FindByMolecularFeature	C27 H47 N8 O	16
C30 H56 N15 O2	[ C30 H56 N15 O2, overall=36.93, db=0.00, mfg=73.87 ]			C30 H56 N15 O2	+	658.4746	4.820875	36.93		(659.4816, 4125.06)(660.4862, 1443.11)	FindByMolecularFeature	C30 H56 N15 O2	16
C33 H28 N26 S2	[ C33 H28 N26 S2, overall=41.83, db=0.00, mfg=83.66 ]			C33 H28 N26 S2	+	852.2418	1.016875	41.83		(853.2504, 43030.03)(854.2483, 22177.84)(855.2469, 10127.2)(856.2426, 4463.91)(857.233, 1633.04)	FindByMolecularFeature	C33 H28 N26 S2	16
C43 H22 Cl N3 O	[ C43 H22 Cl N3 O, overall=39.85, db=0.00, mfg=79.69 ]			C43 H22 Cl N3 O	+	631.1495	1.0689375	39.85		(632.1545, 3815.67)(633.1539, 2299.36)(634.1516, 1564.51)(635.1494, 598.62)	FindByMolecularFeature	C43 H22 Cl N3 O	16
C7 H10	[ C7 H10, overall=43.05, db=0.00, mfg=86.10 ]			C7 H10	+	94.0781	1.142875	43.05		(95.0855, 13641.74)(96.0879, 1109.41)(189.1613, 712.73)	FindByMolecularFeature	C7 H10	16
Diethylstilbestrol diphosphate	Diethylstilbestrol diphosphate [ C18 H22 O8 P2, overall=49.92, db=49.92, CAS ID=522-40-7, KEGG ID=C08145, METLIN ID=607 ]	522-40-7		Diethylstilbestrol diphosphate	+	428.0814	1.040125	49.92	C08145	(429.0885, 7873.28)(430.0893, 3614.24)(431.0789, 3258.8)	FindByMolecularFeature	C18 H22 O8 P2	16
Docosahexaenoyl Serotonin	Docosahexaenoyl Serotonin [ C32 H42 N2 O2, overall=55.40, db=55.40, CAS ID=283601-58-1, METLIN ID=62951 ]	283601-58-1		Docosahexaenoyl Serotonin	+	508.3052	6.1813126	55.4		(509.3117, 14446.74)(510.3159, 2729.17)	FindByMolecularFeature	C32 H42 N2 O2	16
ent-Corey PG-Lactone Diol	ent-Corey PG-Lactone Diol [ C15 H24 O4, overall=73.84, db=73.84, METLIN ID=64780 ]			ent-Corey PG-Lactone Diol	+	268.1679	1.3035	73.84		(269.1757, 3627.45)(270.1743, 726.65)(286.2015, 2053.98)(554.3689, 1065.36)(555.362, 530.81)(556.382, 628.71)(537.3469, 979.49)	FindByMolecularFeature	C15 H24 O4	16
I-Urobilin	I-Urobilin [ C33 H42 N4 O6, overall=91.87, db=91.87, CAS ID=1856-98-0, KEGG ID=C05794, METLIN ID=58222, HMP ID=HMDB04160 ]	1856-98-0		I-Urobilin	+	590.309	1.1900002	91.87	C05794	(613.2987, 723.88)(591.316, 31113.39)(592.32, 10017.87)(593.3236, 2490.86)	FindByMolecularFeature	C33 H42 N4 O6	16	HMDB04160
L-Dopa	L-Dopa [ C9 H11 N O4, overall=97.36, db=97.36, CAS ID=59-92-7, KEGG ID=C00355, METLIN ID=42, HMP ID=HMDB00181 ]	59-92-7		L-Dopa	+	214.0957	2.780875	97.36	C00355	(215.103, 50490.82)(216.1069, 5228.6)(217.1071, 991.59)	FindByMolecularFeature	C9 H11 N O4	16	HMDB00181
Nafoxidine	Nafoxidine [ C29 H31 N O2, overall=43.72, db=43.72, CAS ID=1845-11-0, KEGG ID=C14212, METLIN ID=69880 ]	1845-11-0		Nafoxidine	+	442.2654	5.7063756	43.72	C14212	(443.2725, 14725.45)(444.2759, 2353.76)	FindByMolecularFeature	C29 H31 N O2	16
N-methyl hexanamide	N-methyl hexanamide [ C7 H15 N O, overall=80.63, db=80.63, Lipid ID=LMFA08020142, METLIN ID=75523 ]			N-methyl hexanamide	+	146.1418	8.942374	80.63		(147.1491, 7158.16)(148.1528, 926.11)	FindByMolecularFeature	C7 H15 N O	16		LMFA08020142
Pro Arg Asn	Pro Arg Asn [ C15 H27 N7 O5, overall=63.83, db=63.83, METLIN ID=17245 ]			Pro Arg Asn	+	385.2067	1.1016248	63.83		(386.2139, 3649.14)(387.2154, 2173.08)(388.217, 1416.39)	FindByMolecularFeature	C15 H27 N7 O5	16
Remikiren	Remikiren [ C33 H50 N4 O6 S, overall=78.60, db=78.60, CAS ID=126222-34-2, KEGG ID=C07465, METLIN ID=66652 ]	126222-34-2		Remikiren	+	647.3722	4.2962503	78.6	C07465	(648.3793, 7540.3)(649.383, 1986.46)(650.3887, 538.52)	FindByMolecularFeature	C33 H50 N4 O6 S	16
Ribonic acid	Ribonic acid [ C5 H10 O6, overall=71.86, db=71.86, Lipid ID=LMFA01050411, CAS ID=17812-24-7, KEGG ID=C01685, METLIN ID=3290, HMP ID=HMDB00867 ]	17812-24-7		Ribonic acid	+	166.0484	1.049875	71.86	C01685	(167.0555, 16849.04)(168.0586, 2576.8)(169.0566, 1469.05)	FindByMolecularFeature	C5 H10 O6	16	HMDB00867	LMFA01050411
Tauroursocholic acid +3.881875	Tauroursocholic acid [ C26 H45 N O7 S, overall=78.55, db=78.55, Lipid ID=LMST05040014, METLIN ID=57999 ]			Tauroursocholic acid +3.881875	+	515.2939	3.881875	78.55		(516.3012, 36720.46)(517.3044, 9097.49)(518.3092, 2406.18)(519.3062, 235.23)	FindByMolecularFeature	C26 H45 N O7 S	16		LMST05040014
(2R)-2-Hydroxy-2-methylbutanenitrile +1.9082668	(2R)-2-Hydroxy-2-methylbutanenitrile [ C5 H9 N O, overall=99.59, db=99.59, KEGG ID=C18796, METLIN ID=72565 ]			(2R)-2-Hydroxy-2-methylbutanenitrile +1.9082668	+	99.0684	1.9082668	99.59	C18796	(100.0757, 88246.09)(101.0792, 5652.82)(102.0795, 600.61)	FindByMolecularFeature	C5 H9 N O	15
1219.3354@1.0075334				1219.3354@1.0075334	+	1219.3354	1.0075334			(1220.3428, 6978.01)(1221.3438, 7679.02)(1222.3427, 8602.86)(1223.342, 5647.47)(1224.3401, 3925.68)(1225.3395, 2357.53)(1226.336, 1048.78)	FindByMolecularFeature		15
2'-Deoxymugineic acid +6.1390667	2'-Deoxymugineic acid [ C12 H20 N2 O7, overall=98.56, db=98.56, CAS ID=74235-24-8, KEGG ID=C15485, METLIN ID=70941 ]	74235-24-8		2'-Deoxymugineic acid +6.1390667	+	304.1273	6.1390667	98.56	C15485	(327.1164, 2612.35)(305.1345, 29183.95)(306.1376, 3627.9)(307.1413, 852.67)	FindByMolecularFeature	C12 H20 N2 O7	15
2-Dimethylamino-5,6-dimethylpyrimidin-4-ol	2-Dimethylamino-5,6-dimethylpyrimidin-4-ol [ C8 H13 N3 O, overall=91.53, db=91.53, CAS ID=40778-16-3, KEGG ID=C10916, METLIN ID=68685 ]	40778-16-3		2-Dimethylamino-5,6-dimethylpyrimidin-4-ol	+	167.1061	5.009001	91.53	C10916	(168.1133, 74734.04)(169.1165, 6696.03)(170.1278, 2048.97)	FindByMolecularFeature	C8 H13 N3 O	15
2-Methylpyridine	2-Methylpyridine [ C6 H7 N, overall=99.88, db=99.88, CAS ID=109-06-8, KEGG ID=C14447, METLIN ID=70069 ]	109-06-8		2-Methylpyridine	+	93.0577	5.7421327	99.88	C14447	(94.0652, 643993.5)(95.0683, 47439.85)(96.0724, 1745.97)	FindByMolecularFeature	C6 H7 N	15
3-Deoxyguanosine	3-Deoxyguanosine [ C10 H13 N5 O4, overall=86.12, db=86.12, CAS ID=3608-58-0, METLIN ID=4149 ]	3608-58-0		3-Deoxyguanosine	+	267.0971	3.8767998	86.12		(290.0861, 9014.81)(291.0892, 1321.6)(268.1043, 22919.64)(269.1074, 2972.1)	FindByMolecularFeature	C10 H13 N5 O4	15
3R-hydroxy-tetradecanoic acid	3R-hydroxy-tetradecanoic acid [ C14 H28 O3, overall=80.97, db=80.97, METLIN ID=35675 ]			3R-hydroxy-tetradecanoic acid	+	244.2027	1.3156667	80.97		(267.1953, 3423.43)(268.2001, 957.93)(245.2114, 7381.73)(246.2155, 1457.77)	FindByMolecularFeature	C14 H28 O3	15
4-Oxovalproic acid +6.3677998	4-Oxovalproic acid [ C8 H14 O3, overall=99.23, db=99.23, CAS ID=688-04-0, KEGG ID=C16655, METLIN ID=2995 ]	688-04-0		4-Oxovalproic acid +6.3677998	+	175.1209	6.3677998	99.23	C16655	(176.1282, 118344.25)(177.1318, 11934.57)(178.1329, 1939.43)(351.2511, 708.03)	FindByMolecularFeature	C8 H14 O3	15
6-O-Methylguanine	6-O-Methylguanine [ C6 H7 N5 O, overall=92.66, db=92.66, CAS ID=20535-83-5, METLIN ID=64619 ]	20535-83-5		6-O-Methylguanine	+	165.0653	3.8748665	92.66		(188.0551, 1318.3)(166.0728, 115540.59)(167.0769, 10045.1)(168.0772, 849.43)	FindByMolecularFeature	C6 H7 N5 O	15
Atraton	Atraton [ C9 H17 N5 O, overall=61.90, db=61.90, CAS ID=1610-17-9, KEGG ID=C19098, METLIN ID=72840 ]	1610-17-9		Atraton	+	233.1267	6.6391344	61.9	C19098	(234.134, 2350.77)(235.1362, 750.85)(236.1276, 511.28)	FindByMolecularFeature	C9 H17 N5 O	15
B-(4-Fluorobenzoyl)propionic acid +7.5972004	B-(4-Fluorobenzoyl)propionic acid [ C10 H9 F O3, overall=83.69, db=83.69, CAS ID=366-77-8, METLIN ID=1287 ]	366-77-8		B-(4-Fluorobenzoyl)propionic acid +7.5972004	+	218.0361	7.5972004	83.69		(219.0434, 11505.41)(220.0455, 1318.33)	FindByMolecularFeature	C10 H9 F O3	15
Bicalutamide	Bicalutamide [ C18 H14 F4 N2 O4 S, overall=61.69, db=61.69, CAS ID=90357-06-5, KEGG ID=C08160, METLIN ID=557 ]	90357-06-5		Bicalutamide	+	430.0611	1.0864666	61.69	C08160	(431.0686, 7580.91)(432.0688, 2959.8)(433.0651, 2154.13)	FindByMolecularFeature	C18 H14 F4 N2 O4 S	15
Bullatacinone	Bullatacinone [ C37 H66 O7, overall=40.56, db=40.56, CAS ID=123012-00-0, KEGG ID=C08470, METLIN ID=67001 ]	123012-00-0		Bullatacinone	+	644.4587	4.8644004	40.56	C08470	(645.4666, 2780.34)(646.4659, 1168.33)	FindByMolecularFeature	C37 H66 O7	15
C11 H11 N5 O	[ C11 H11 N5 O, overall=39.84, db=0.00, mfg=79.68 ]			C11 H11 N5 O	+	229.0957	2.8344002	39.84		(252.0859, 910.43)(230.1028, 10228.7)(231.1071, 1703.61)	FindByMolecularFeature	C11 H11 N5 O	15
C17 H24 N2 O4	[ C17 H24 N2 O4, overall=49.32, db=0.00, mfg=98.63 ]			C17 H24 N2 O4	+	320.1737	1.8541334	49.32		(343.1625, 4439.89)(344.1648, 1228.57)(345.1496, 946.0)(663.3364, 2339.08)(664.3391, 1211.23)(321.181, 58254.41)(322.1842, 12541.12)(323.1894, 1526.51)(641.3534, 9830.36)(642.358, 3572.53)(643.3562, 776.52)	FindByMolecularFeature	C17 H24 N2 O4	15
C20 H39 N4	[ C20 H39 N4, overall=41.77, db=0.00, mfg=83.54 ]			C20 H39 N4	+	335.3178	1.1846668	41.77		(358.299, 810.45)(336.325, 20705.67)(337.3279, 5464.43)	FindByMolecularFeature	C20 H39 N4	15
C23 H37 N S	[ C23 H37 N S, overall=36.77, db=0.00, mfg=73.54 ]			C23 H37 N S	+	359.2663	1.075	36.77		(360.2743, 8409.28)(361.2763, 2571.46)(362.2669, 1323.56)(377.3029, 1299.09)	FindByMolecularFeature	C23 H37 N S	15
C24 H49 N O13	[ C24 H49 N O13, overall=49.67, db=0.00, mfg=99.33 ]			C24 H49 N O13	+	559.3202	4.157867	49.67		(560.3274, 32089.39)(561.3304, 8476.13)(562.3334, 2205.43)(563.3345, 415.17)	FindByMolecularFeature	C24 H49 N O13	15
C29 H57 N O2 S2	[ C29 H57 N O2 S2, overall=43.69, db=0.00, mfg=87.37 ]			C29 H57 N O2 S2	+	515.3822	1.1456	43.69		(516.3893, 13014.84)(517.3929, 4180.32)(518.4005, 1925.64)	FindByMolecularFeature	C29 H57 N O2 S2	15
C32 H57 N4 S	[ C32 H57 N4 S, overall=34.84, db=0.00, mfg=69.69 ]			C32 H57 N4 S	+	529.434	1.1052667	34.84		(530.4406, 8115.42)(531.4424, 2650.6)(532.4263, 1807.27)	FindByMolecularFeature	C32 H57 N4 S	15
C36 H56 N4 O3	[ C36 H56 N4 O3, overall=37.28, db=0.00, mfg=74.55 ]			C36 H56 N4 O3	+	592.4351	4.4074664	37.28		(593.4424, 2988.76)(594.4462, 1152.72)	FindByMolecularFeature	C36 H56 N4 O3	15
C6 H16 N3 O3	[ C6 H16 N3 O3, overall=31.82, db=0.00, mfg=63.65 ]			C6 H16 N3 O3	+	178.1204	1.3716667	31.82		(179.128, 4962.02)(180.133, 1062.14)(181.1227, 979.52)(196.1523, 2594.54)(197.1561, 484.92)	FindByMolecularFeature	C6 H16 N3 O3	15
C7 H17 N O3	[ C7 H17 N O3, overall=41.14, db=0.00, mfg=82.28 ]			C7 H17 N O3	+	163.1208	6.0869994	41.14		(186.1132, 855.91)(164.128, 10731.33)(165.1314, 903.16)(166.1275, 698.75)	FindByMolecularFeature	C7 H17 N O3	15
Carmamycin A	Carmamycin A [ C25 H45 N3 O6 S, overall=49.21, db=49.21, METLIN ID=65481 ]			Carmamycin A	+	532.3332	6.485866	49.21		(533.3402, 6064.42)(534.3423, 1206.3)	FindByMolecularFeature	C25 H45 N3 O6 S	15
Cymoxanil	Cymoxanil [ C7 H10 N4 O3, overall=77.44, db=77.44, CAS ID=57966-95-7, KEGG ID=C18498, METLIN ID=72304 ]	57966-95-7		Cymoxanil	+	198.076	3.1047332	77.44	C18498	(221.0656, 2055.11)(222.0759, 597.57)(419.1381, 877.08)(199.0831, 30878.58)(200.0884, 2833.07)	FindByMolecularFeature	C7 H10 N4 O3	15
Diphenylcarbazide	Diphenylcarbazide [ C13 H14 N4 O, overall=42.45, db=42.45, CAS ID=140-22-7, KEGG ID=C11232, METLIN ID=68930 ]	140-22-7		Diphenylcarbazide	+	242.1164	1.0828665	42.45	C11232	(243.1229, 3941.77)(260.1498, 2161.14)	FindByMolecularFeature	C13 H14 N4 O	15
DMPO +1.6536001	DMPO [ C6 H11 N O, overall=99.73, db=99.73, CAS ID=3317-61-1, METLIN ID=64638 ]	3317-61-1		DMPO +1.6536001	+	113.0839	1.6536001	99.73		(114.0913, 165770.98)(115.0947, 10925.86)(116.0997, 1074.36)	FindByMolecularFeature	C6 H11 N O	15
Heptaminol	Heptaminol [ C8 H19 N O, overall=87.55, db=87.55, CAS ID=543-15-7, METLIN ID=44338 ]	543-15-7		Heptaminol	+	145.1467	6.0512004	87.55		(146.154, 46913.0)(147.1574, 4726.56)	FindByMolecularFeature	C8 H19 N O	15
L-Homotyrosine +6.744867	L-Homotyrosine [ C10 H13 N O3, overall=98.75, db=98.75, KEGG ID=C18622, METLIN ID=72416 ]			L-Homotyrosine +6.744867	+	195.09	6.744867	98.75	C18622	(218.0783, 847.55)(196.0973, 313671.47)(197.1003, 35684.73)(198.1044, 3459.06)	FindByMolecularFeature	C10 H13 N O3	15
L-isoleucyl-L-proline +6.6362667	L-isoleucyl-L-proline [ C11 H20 N2 O3, overall=84.58, db=84.58, METLIN ID=62022, HMP ID=HMDB11174 ]			L-isoleucyl-L-proline +6.6362667	+	228.1479	6.6362667	84.58		(229.1546, 21259.86)(230.1585, 3218.93)	FindByMolecularFeature	C11 H20 N2 O3	15	HMDB11174
Mequitazine	Mequitazine [ C20 H22 N2 S, overall=58.72, db=58.72, CAS ID=29216-28-2, KEGG ID=C12755, METLIN ID=69479 ]	29216-28-2		Mequitazine	+	322.1532	2.9365335	58.72	C12755	(345.1421, 5690.53)(323.1601, 39768.54)(324.1637, 8494.05)(645.3143, 2015.11)(646.3166, 1598.74)(647.3191, 933.73)	FindByMolecularFeature	C20 H22 N2 S	15
Militarinone A	Militarinone A [ C26 H37 N O6, overall=52.14, db=52.14, KEGG ID=C12333, METLIN ID=69433 ]			Militarinone A	+	459.2626	1.0910666	52.14	C12333	(460.2731, 6643.35)(461.2741, 2027.03)(462.2808, 1293.59)	FindByMolecularFeature	C26 H37 N O6	15
Muscimol	Muscimol [ C4 H6 N2 O2, overall=98.94, db=98.94, CAS ID=2763-96-4, KEGG ID=C08311, METLIN ID=66902 ]	2763-96-4		Muscimol	+	114.043	2.1568	98.94	C08311	(115.0503, 32075.15)(116.0531, 1404.24)(117.0549, 544.44)	FindByMolecularFeature	C4 H6 N2 O2	15
N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine	N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine [ C28 H42 N2 O3 S, overall=64.67, db=64.67, Lipid ID=LMFA08020053, METLIN ID=36721 ]			N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine	+	486.2918	6.057066	64.67		(487.2991, 13459.9)(488.3025, 2520.45)	FindByMolecularFeature	C28 H42 N2 O3 S	15		LMFA08020053
N-isovalerylglycine	N-isovalerylglycine [ C7 H13 N O3, overall=87.39, db=87.39, CAS ID=16284-60-9, METLIN ID=4128 ]	16284-60-9		N-isovalerylglycine	+	159.0897	2.1927335	87.39		(160.0969, 26614.91)(161.1003, 2350.73)	FindByMolecularFeature	C7 H13 N O3	15
N-oleoyl GABA	N-oleoyl GABA [ C22 H41 N O3, overall=76.58, db=76.58, Lipid ID=LMFA08020104, METLIN ID=75486 ]			N-oleoyl GABA	+	367.3085	1.141	76.58		(368.3156, 6027.63)(369.3188, 1874.28)	FindByMolecularFeature	C22 H41 N O3	15		LMFA08020104
Ophiopogonin B	Ophiopogonin B [ C39 H62 O12, overall=66.73, db=66.73, CAS ID=38971-41-4, KEGG ID=C17038, METLIN ID=71516 ]	38971-41-4		Ophiopogonin B	+	739.4561	5.5292664	66.73	C17038	(740.4631, 15395.94)(741.4665, 5199.11)(742.4699, 1414.16)	FindByMolecularFeature	C39 H62 O12	15
Pilosine	Pilosine [ C16 H18 N2 O3, overall=98.87, db=98.87, CAS ID=13640-28-3, KEGG ID=C10610, METLIN ID=68426 ]	13640-28-3		Pilosine	+	286.1318	1.2093999	98.87	C10610	(287.139, 25220.66)(288.1426, 4773.35)(289.1446, 952.05)(573.2688, 644.34)	FindByMolecularFeature	C16 H18 N2 O3	15
Piperidione +2.718	Piperidione [ C9 H15 N O2, overall=98.44, db=98.44, CAS ID=77-03-2, KEGG ID=C17730, METLIN ID=71886 ]	77-03-2		Piperidione +2.718	+	186.1372	2.718	98.44	C17730	(187.1446, 167418.73)(188.1478, 18196.57)(189.1503, 1622.27)	FindByMolecularFeature	C9 H15 N O2	15
PS(O-20:0/0:0)	PS(O-20:0/0:0) [ C26 H54 N O8 P, overall=56.39, db=56.39, Lipid ID=LMGP03060001, METLIN ID=78861 ]			PS(O-20:0/0:0)	+	561.3362	6.5535336	56.39		(562.3433, 43078.75)(563.3466, 7873.68)(564.3506, 841.8)	FindByMolecularFeature	C26 H54 N O8 P	15		LMGP03060001
Rubraflavone C	Rubraflavone C [ C30 H34 O6, overall=62.09, db=62.09, Lipid ID=LMPK12110900, METLIN ID=49328 ]			Rubraflavone C	+	245.1199	9.347866	62.09		(246.1281, 2122.89)(247.1282, 914.19)(491.2462, 7449.8)(492.2484, 1912.51)(493.2468, 1016.44)	FindByMolecularFeature	C30 H34 O6	15		LMPK12110900
Solanidine	Solanidine [ C27 H43 N O, overall=86.07, db=86.07, Lipid ID=LMST01150007, KEGG ID=C06543, METLIN ID=41808 ]			Solanidine	+	397.3339	4.241467	86.07	C06543	(398.3413, 58201.11)(399.3444, 16660.33)(400.3549, 5111.54)(401.3592, 1107.66)	FindByMolecularFeature	C27 H43 N O	15		LMST01150007
Tauroursocholic acid +3.9862664	Tauroursocholic acid [ C26 H45 N O7 S, overall=77.03, db=77.03, Lipid ID=LMST05040014, METLIN ID=57999 ]			Tauroursocholic acid +3.9862664	+	515.2937	3.9862664	77.03		(516.3015, 14323.51)(517.3047, 3510.68)(518.3079, 1224.11)	FindByMolecularFeature	C26 H45 N O7 S	15		LMST05040014
Trichostatin A +1.3358667	Trichostatin A [ C17 H22 N2 O3, overall=76.00, db=76.00, Lipid ID=LMPK01000055, CAS ID=58880-19-6, METLIN ID=46755 ]	58880-19-6		Trichostatin A +1.3358667	+	302.1627	1.3358667	76		(303.1703, 17297.98)(304.1725, 3566.62)(305.1802, 2021.38)(320.2007, 913.41)	FindByMolecularFeature	C17 H22 N2 O3	15		LMPK01000055
Val Lys	Val Lys [ C11 H23 N3 O3, overall=99.50, db=99.50, METLIN ID=23854 ]			Val Lys	+	245.174	9.259067	99.5		(246.1814, 63455.28)(247.1845, 9069.26)(248.1862, 1088.68)	FindByMolecularFeature	C11 H23 N3 O3	15
(2R)-2-Hydroxy-2-methylbutanenitrile +1.5564287	(2R)-2-Hydroxy-2-methylbutanenitrile [ C5 H9 N O, overall=85.50, db=85.50, KEGG ID=C18796, METLIN ID=72565 ]			(2R)-2-Hydroxy-2-methylbutanenitrile +1.5564287	+	99.0683	1.5564287	85.5	C18796	(100.0756, 15851.6)(101.0786, 1347.56)	FindByMolecularFeature	C5 H9 N O	14
(5-Phenyl-1,2,4-triazol-3-yl)urea	(5-Phenyl-1,2,4-triazol-3-yl)urea [ C9 H9 N5 O, overall=76.99, db=76.99, KEGG ID=C15383, METLIN ID=70853 ]			(5-Phenyl-1,2,4-triazol-3-yl)urea	+	203.0801	3.3444288	76.99	C15383	(204.0872, 9908.6)(205.0924, 1425.94)	FindByMolecularFeature	C9 H9 N5 O	14
1381.7291@5.6907144				1381.7291@5.6907144	+	1381.7291	5.6907144			(1382.7357, 3572.72)(1383.7397, 874.09)	FindByMolecularFeature		14
2-[3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol	2-[3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol [ C18 H18 N2 O2, overall=82.40, db=82.40, CAS ID=1038-81-9, KEGG ID=C15193, METLIN ID=70682 ]	1038-81-9		2-[3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol	+	294.1377	1.3210001	82.4	C15193	(295.1447, 9470.24)(296.1488, 2044.82)	FindByMolecularFeature	C18 H18 N2 O2	14
2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone	2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone [ C20 H20 O8, overall=80.68, db=80.68, Lipid ID=LMPK12111611, METLIN ID=50029 ]			2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone	+	388.1158	1.2432144	80.68		(411.1055, 1201.75)(389.1227, 10350.35)(390.127, 2517.4)	FindByMolecularFeature	C20 H20 O8	14		LMPK12111611
2-hydroxy-4- (methylthio) butyric acid	2-hydroxy-4- (methylthio) butyric acid [ C5 H10 O3 S, overall=97.51, db=97.51, CAS ID=4857-44-7, METLIN ID=44706 ]	4857-44-7		2-hydroxy-4- (methylthio) butyric acid	+	150.0352	3.403857	97.51		(173.0243, 3011.41)(151.0425, 16695.73)(152.0454, 1494.81)(153.0392, 1048.86)	FindByMolecularFeature	C5 H10 O3 S	14
2-oxo-docosanoic acid +3.9759285	2-oxo-docosanoic acid [ C22 H42 O3, overall=70.16, db=70.16, METLIN ID=35830 ]			2-oxo-docosanoic acid +3.9759285	+	371.3397	3.9759285	70.16		(372.3475, 4803.68)(373.3496, 1651.1)	FindByMolecularFeature	C22 H42 O3	14
3Alpha,7Alpha,12Alpha-trihydroxy-27-nor-5Beta-cholestan-24-one	3Alpha,7Alpha,12Alpha-trihydroxy-27-nor-5Beta-cholestan-24-one [ C26 H44 O4, overall=91.27, db=91.27, Lipid ID=LMST04020001, METLIN ID=84749 ]			3Alpha,7Alpha,12Alpha-trihydroxy-27-nor-5Beta-cholestan-24-one	+	437.3502	1.3364285	91.27		(438.3575, 11606.36)(439.3614, 4306.41)(440.3644, 955.87)	FindByMolecularFeature	C26 H44 O4	14		LMST04020001
3-Butylidene-7-hydroxyphthalide	3-Butylidene-7-hydroxyphthalide [ C12 H12 O3, overall=80.57, db=80.57, CAS ID=93236-67-0, KEGG ID=C09921, METLIN ID=68011 ]	93236-67-0		3-Butylidene-7-hydroxyphthalide	+	204.0793	1.0616429	80.57	C09921	(205.0864, 7333.23)(206.0905, 1251.49)	FindByMolecularFeature	C12 H12 O3	14
3-Hydroxy-1-indanone	3-Hydroxy-1-indanone [ C9 H8 O2, overall=74.05, db=74.05, CAS ID=26976-59-0, KEGG ID=C07720, METLIN ID=66724 ]	26976-59-0		3-Hydroxy-1-indanone	+	148.0527	1.1414286	74.05	C07720	(149.06, 8452.2)(150.063, 1473.85)(166.0877, 1304.83)(314.1428, 692.33)	FindByMolecularFeature	C9 H8 O2	14
4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone	4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone [ C10 H13 N3 O3, overall=58.11, db=58.11, CAS ID=76014-82-9, KEGG ID=C19602, METLIN ID=73257 ]	76014-82-9		4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone	+	223.0961	4.029357	58.11	C19602	(224.1033, 4574.29)(225.1101, 1121.47)(226.109, 806.68)	FindByMolecularFeature	C10 H13 N3 O3	14
557.4641@1.0901428				557.4641@1.0901428	+	557.4641	1.0901428			(558.4698, 3965.15)(559.472, 2980.85)(560.4737, 1393.51)	FindByMolecularFeature		14
592.1499@1.0271429				592.1499@1.0271429	+	592.1499	1.0271429			(593.1584, 3874.97)(594.1596, 2496.87)(595.1401, 7736.36)(596.1414, 4418.92)(597.1364, 3773.88)(610.1836, 12121.45)(611.1839, 8241.54)(612.1668, 23856.21)(613.1663, 13037.92)(614.163, 10339.35)(615.1633, 3929.46)(616.1587, 1927.15)	FindByMolecularFeature		14
5-Amino-1-ribofuranosylimidazole-4-carboxyamide	5-Amino-1-ribofuranosylimidazole-4-carboxyamide [ C9 H14 N4 O6, overall=57.89, db=57.89, KEGG ID=C04663, METLIN ID=66234 ]			5-Amino-1-ribofuranosylimidazole-4-carboxyamide	+	296.0754	1.0512141	57.89	C04663	(297.0827, 34348.74)(298.0839, 9246.91)(299.0807, 6412.24)(300.0816, 948.59)(593.1584, 775.18)	FindByMolecularFeature	C9 H14 N4 O6	14
Anandamide (20:2, n-6)	Anandamide (20:2, n-6) [ C22 H41 N O2, overall=42.69, db=42.69, Lipid ID=LMFA08040002, METLIN ID=36738 ]			Anandamide (20:2, n-6)	+	351.3113	1.1077143	42.69		(725.6094, 4103.09)(726.6144, 2003.88)(727.6186, 859.21)(352.3204, 1722.18)	FindByMolecularFeature	C22 H41 N O2	14		LMFA08040002
Brosimacutin B +1.0826429	Brosimacutin B [ C20 H22 O6, overall=75.23, db=75.23, Lipid ID=LMPK12140043, METLIN ID=52533 ]			Brosimacutin B +1.0826429	+	358.1418	1.0826429	75.23		(359.1499, 1395.94)(376.1758, 7402.61)(377.1768, 1977.2)	FindByMolecularFeature	C20 H22 O6	14		LMPK12140043
C13 H28 O3 S2	[ C13 H28 O3 S2, overall=43.37, db=0.00, mfg=86.75 ]			C13 H28 O3 S2	+	296.1471	6.145572	43.37		(319.1369, 1276.0)(297.1551, 1918.45)(314.1808, 6792.21)(315.1852, 1111.18)(316.1893, 646.89)	FindByMolecularFeature	C13 H28 O3 S2	14
C13 H31 N4 S2	[ C13 H31 N4 S2, overall=38.64, db=0.00, mfg=77.27 ]			C13 H31 N4 S2	+	307.2009	1.1342143	38.64		(308.2077, 3117.13)(309.2057, 794.2)(310.2031, 331.54)(325.2374, 1429.78)(632.4373, 869.37)	FindByMolecularFeature	C13 H31 N4 S2	14
C15 H27 N O6	[ C15 H27 N O6, overall=45.32, db=0.00, mfg=90.64 ]			C15 H27 N O6	+	317.1842	1.0799285	45.32		(318.1915, 28241.52)(319.1944, 4984.06)(320.2036, 1542.38)(335.2201, 958.02)	FindByMolecularFeature	C15 H27 N O6	14
C17 H40 N4 O9	[ C17 H40 N4 O9, overall=40.04, db=0.00, mfg=80.09 ]			C17 H40 N4 O9	+	444.281	5.9602857	40.04		(445.2877, 15865.29)(446.2907, 2714.42)	FindByMolecularFeature	C17 H40 N4 O9	14
C21 H39 N2 O	[ C21 H39 N2 O, overall=42.74, db=0.00, mfg=85.49 ]			C21 H39 N2 O	+	335.3102	1.161857	42.74		(358.2985, 1446.05)(336.3151, 13992.7)(337.3181, 2827.45)(338.3136, 667.24)	FindByMolecularFeature	C21 H39 N2 O	14
C23 H54 N26 O	[ C23 H54 N26 O, overall=35.97, db=0.00, mfg=71.94 ]			C23 H54 N26 O	+	710.4977	5.138214	35.97		(711.504, 2369.65)(712.5093, 906.91)	FindByMolecularFeature	C23 H54 N26 O	14
C27 H53 N8 O10	[ C27 H53 N8 O10, overall=43.84, db=0.00, mfg=87.69 ]			C27 H53 N8 O10	+	649.3887	7.001142	43.84		(650.3959, 37620.09)(651.3992, 9880.93)(652.4004, 185.34)	FindByMolecularFeature	C27 H53 N8 O10	14
C28 H53 N S2	[ C28 H53 N S2, overall=39.60, db=0.00, mfg=79.20 ]			C28 H53 N S2	+	467.3612	1.5032856	39.6		(490.3556, 904.89)(468.3689, 7331.92)(469.3714, 3432.98)(470.3712, 1110.34)	FindByMolecularFeature	C28 H53 N S2	14
C30 H63 N4 S2	[ C30 H63 N4 S2, overall=44.77, db=0.00, mfg=89.55 ]			C30 H63 N4 S2	+	543.4496	1.0207142	44.77		(544.4572, 3844.15)(545.4601, 1389.99)(546.4558, 847.42)	FindByMolecularFeature	C30 H63 N4 S2	14
C33 H26 N2 S4	[ C33 H26 N2 S4, overall=33.93, db=0.00, mfg=67.87 ]			C33 H26 N2 S4	+	578.0993	1.0385715	33.93		(579.1066, 4499.35)(580.1059, 2608.58)(581.1041, 2218.82)	FindByMolecularFeature	C33 H26 N2 S4	14
C35 H38 N22 O4 S3	[ C35 H38 N22 O4 S3, overall=42.70, db=0.00, mfg=85.40 ]			C35 H38 N22 O4 S3	+	926.2613	1.0118572	42.7		(927.2685, 34246.1)(928.267, 19368.75)(929.2657, 8376.17)(930.257, 4131.57)	FindByMolecularFeature	C35 H38 N22 O4 S3	14
C5 H3 N S	[ C5 H3 N S, overall=18.65, db=0.00, mfg=37.30 ]			C5 H3 N S	+	109.0012	7.241714	18.65		(110.0085, 8426.75)(111.0106, 1533.47)(112.0064, 1635.96)	FindByMolecularFeature	C5 H3 N S	14
C6 H14 O3	[ C6 H14 O3, overall=32.50, db=0.00, mfg=65.00 ]			C6 H14 O3	+	134.0948	1.2921429	32.5		(135.103, 13830.15)(136.1117, 1015.64)(137.0956, 841.64)(152.1269, 2731.2)	FindByMolecularFeature	C6 H14 O3	14
C9 H18 N2 O	[ C9 H18 N2 O, overall=49.56, db=0.00, mfg=99.11 ]			C9 H18 N2 O	+	170.1422	8.943643	49.56		(171.1492, 15862.9)(172.1518, 1693.52)(188.176, 670788.3)(189.179, 67165.09)(190.1811, 5363.87)	FindByMolecularFeature	C9 H18 N2 O	14
DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/0:0) [ C47 H74 O5, overall=96.13, db=96.13, METLIN ID=59219, HMP ID=HMDB07756 ]			DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	+	718.5534	1.1172143	96.13		(719.5617, 5927.31)(720.5642, 3066.5)(721.5661, 973.74)	FindByMolecularFeature	C47 H74 O5	14	HMDB07756
dihydro-?-ergocryptine	dihydro-?-ergocryptine [ C32 H43 N5 O5, overall=51.04, db=51.04, CAS ID=, METLIN ID=4043 ]			dihydro-?-ergocryptine	+	577.3309	6.6479993	51.04		(578.3383, 3249.08)(579.3405, 1000.34)	FindByMolecularFeature	C32 H43 N5 O5	14
Gymnemic acid I	Gymnemic acid I [ C43 H66 O14, overall=73.79, db=73.79, CAS ID=122168-40-5, KEGG ID=C08947, METLIN ID=67295 ]	122168-40-5		Gymnemic acid I	+	823.4774	5.5687857	73.79	C08947	(824.4847, 10239.08)(825.4875, 4689.11)(826.4913, 1341.63)	FindByMolecularFeature	C43 H66 O14	14
Homatropine	Homatropine [ C16 H21 N O3, overall=97.46, db=97.46, CAS ID=87-00-3, KEGG ID=C07814, METLIN ID=3162 ]	87-00-3		Homatropine	+	275.1525	1.2605	97.46	C07814	(276.1598, 46665.22)(277.1636, 9413.26)(278.1665, 1404.01)(293.1869, 3730.55)(294.1956, 1073.18)	FindByMolecularFeature	C16 H21 N O3	14
Leupeptin	Leupeptin [ C20 H38 N6 O4, overall=76.08, db=76.08, CAS ID=24365-47-7, KEGG ID=C01591, METLIN ID=65617 ]	24365-47-7		Leupeptin	+	443.3241	1.2392143	76.08	C01591	(444.3319, 9232.91)(445.3348, 2379.03)(446.3381, 917.04)	FindByMolecularFeature	C20 H38 N6 O4	14
L-Urobilin	L-Urobilin [ C33 H46 N4 O6, overall=99.92, db=99.92, CAS ID=34217-90-8, KEGG ID=C05793, METLIN ID=7022, HMP ID=HMDB04159 ]	34217-90-8		L-Urobilin	+	594.3417	1.4493572	99.92	C05793	(617.3298, 6754.45)(618.3348, 2493.28)(595.3491, 168702.19)(596.3524, 63037.29)(597.3552, 13463.86)(598.3574, 2052.67)	FindByMolecularFeature	C33 H46 N4 O6	14	HMDB04159
L-Urobilin +5.948929	L-Urobilin [ C33 H46 N4 O6, overall=99.78, db=99.78, CAS ID=34217-90-8, KEGG ID=C05793, METLIN ID=7022, HMP ID=HMDB04159 ]	34217-90-8		L-Urobilin +5.948929	+	594.3413	5.948929	99.78	C05793	(617.3304, 12810.61)(618.3336, 4529.2)(619.336, 1176.84)(595.3488, 212986.3)(596.3518, 78691.0)(597.3549, 16717.8)(598.3575, 2481.11)	FindByMolecularFeature	C33 H46 N4 O6	14	HMDB04159
MCI-186	MCI-186 [ C10 H10 N2 O, overall=80.78, db=80.78, CAS ID=89-25-8, KEGG ID=C13008, METLIN ID=44360, HMP ID=HMDB06240 ]	89-25-8		MCI-186	+	196.0602	2.092214	80.78	C13008	(197.0675, 17248.97)(198.0718, 2002.34)	FindByMolecularFeature	C10 H10 N2 O	14	HMDB06240
N(alpha)-gamma-L-Glutamylhistamine	N(alpha)-gamma-L-Glutamylhistamine [ C10 H16 N4 O3, overall=84.91, db=84.91, KEGG ID=C04138, METLIN ID=66121 ]			N(alpha)-gamma-L-Glutamylhistamine	+	240.1206	3.4057853	84.91	C04138	(263.1102, 19295.45)(264.1137, 2101.48)(265.1094, 770.08)(241.1285, 15753.89)(242.1332, 2422.43)(243.1298, 561.42)(258.1554, 3253.83)(259.1625, 514.12)	FindByMolecularFeature	C10 H16 N4 O3	14
N-Carboxyethyl-?-aminobutyric acid	N-Carboxyethyl-?-aminobutyric acid [ C7 H13 N O4, overall=72.65, db=72.65, CAS ID=4386-03-2, KEGG ID=, METLIN ID=6542, HMP ID=HMDB02201 ]	3/2/4386		N-Carboxyethyl-?-aminobutyric acid	+	175.0848	3.3494282	72.65		(198.0773, 783.77)(176.0921, 7766.02)(177.0977, 629.17)(178.0933, 684.72)	FindByMolecularFeature	C7 H13 N O4	14	HMDB02201
N-pentadecanoyl-L-Homoserine lactone	N-pentadecanoyl-L-Homoserine lactone [ C19 H35 N O3, overall=72.02, db=72.02, CAS ID=182359-66-6, METLIN ID=64795 ]	182359-66-6		N-pentadecanoyl-L-Homoserine lactone	+	342.288	5.4827147	72.02		(343.2952, 5000.29)(344.2978, 1534.58)	FindByMolecularFeature	C19 H35 N O3	14
PA(17:0/22:0)	PA(17:0/22:0) [ C42 H83 O8 P, overall=90.31, db=90.31, Lipid ID=LMGP10010242, METLIN ID=81408 ]			PA(17:0/22:0)	+	746.5855	1.1074286	90.31		(747.5927, 22321.58)(748.5958, 10311.32)(749.598, 2831.01)	FindByMolecularFeature	C42 H83 O8 P	14		LMGP10010242
p-Phenetidine	p-Phenetidine [ C8 H11 N O, overall=75.60, db=75.60, CAS ID=156-43-4, METLIN ID=508 ]	156-43-4		p-Phenetidine	+	137.0835	4.738785	75.6		(138.0908, 19315.55)(139.0933, 1874.25)(140.081, 889.84)(155.1178, 2680.55)	FindByMolecularFeature	C8 H11 N O	14
Pseudopelletierine	Pseudopelletierine [ C9 H15 N O, overall=36.13, db=36.13, CAS ID=552-70-5, KEGG ID=C10865, METLIN ID=64456 ]	552-70-5		Pseudopelletierine	+	170.1418	4.710857	36.13	C10865	(171.1491, 17444.24)(172.1429, 3699.2)(173.1377, 1102.79)	FindByMolecularFeature	C9 H15 N O	14
Ritanserin	Ritanserin [ C27 H25 F2 N3 O S, overall=56.31, db=56.31, CAS ID=87051-43-2, METLIN ID=44353 ]	87051-43-2		Ritanserin	+	477.1699	1.0325714	56.31		(478.1775, 7655.38)(479.1787, 3784.83)	FindByMolecularFeature	C27 H25 F2 N3 O S	14
Solanine	Solanine [ C45 H73 N O15, overall=66.94, db=66.94, CAS ID=20562-02-1, KEGG ID=C10820, METLIN ID=68606 ]	20562-02-1		Solanine	+	867.5035	5.7036433	66.94	C10820	(868.5103, 4324.24)(869.5132, 1650.57)(870.5166, 784.51)	FindByMolecularFeature	C45 H73 N O15	14
Tetranor-PGF1alpha	Tetranor-PGF1alpha [ C16 H28 O5, overall=79.68, db=79.68, Lipid ID=LMFA03010213, METLIN ID=74978 ]			Tetranor-PGF1alpha	+	300.1942	1.2044998	79.68		(323.183, 7009.38)(324.1862, 1239.31)(301.2018, 6200.1)(302.2012, 2188.28)(303.206, 1264.01)(318.2279, 19100.69)(319.2298, 5622.91)(320.2343, 1546.14)	FindByMolecularFeature	C16 H28 O5	14		LMFA03010213
(1S)-1-hydroxy-23,24-didehydro-25,26,27-trinorcalciol	(1S)-1-hydroxy-23,24-didehydro-25,26,27-trinorcalciol [ C24 H36 O2, overall=78.47, db=78.47, Lipid ID=LMST03020688, METLIN ID=57900 ]			(1S)-1-hydroxy-23,24-didehydro-25,26,27-trinorcalciol	+	356.2712	1.2483077	78.47		(357.2784, 10330.14)(358.2824, 3918.82)(359.2824, 1280.98)	FindByMolecularFeature	C24 H36 O2	13		LMST03020688
1128.3076@1.0673078				1128.3076@1.0673078	+	1128.3076	1.0673078			(1129.3154, 4595.8)(1130.3136, 4215.91)(1131.314, 2925.46)	FindByMolecularFeature		13
283.324@3.6852307				283.324@3.6852307	+	283.324	3.6852307			(284.331, 5330.38)(285.3345, 2183.92)	FindByMolecularFeature		13
2-Methylbutyroylcarnitine	2-Methylbutyroylcarnitine [ C12 H24 N O4, overall=97.03, db=97.03, CAS ID=31023-25-3, METLIN ID=5367, HMP ID=HMDB00378 ]	31023-25-3		2-Methylbutyroylcarnitine	+	228.1364	1.1505386	97.03		(251.1268, 5950.08)(252.1284, 1409.31)(229.1433, 13990.52)(230.1448, 2649.92)(231.1441, 1314.34)(246.1703, 29931.76)(247.1736, 4636.2)(248.1757, 1257.01)	FindByMolecularFeature	C12 H24 N O4	13	HMDB00378
2-Pyridyl hydroxymethane sulfonic acid	2-Pyridyl hydroxymethane sulfonic acid [ C6 H7 N O4 S, overall=95.79, db=95.79, KEGG ID=C11327, METLIN ID=68992 ]			2-Pyridyl hydroxymethane sulfonic acid	+	189.0102	0.8466924	95.79	C11327	(211.9992, 3352.48)(190.0172, 18811.83)(191.0212, 1617.51)(192.0139, 1327.6)	FindByMolecularFeature	C6 H7 N O4 S	13
3?,12?-Dihydroxy-5?-cholan-24-oic Acid	3?,12?-Dihydroxy-5?-cholan-24-oic Acid [ C24 H40 O4, overall=64.36, db=64.36, METLIN ID=42652 ]			3?,12?-Dihydroxy-5?-cholan-24-oic Acid	+	414.2751	1.3361537	64.36		(415.2821, 2524.52)(416.2867, 1071.36)(417.2914, 779.83)	FindByMolecularFeature	C24 H40 O4	13
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +1.4879231	3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid [ C24 H38 O5, overall=91.25, db=91.25, METLIN ID=42887 ]			3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +1.4879231	+	406.2719	1.4879231	91.25		(429.262, 2494.25)(430.2739, 974.84)(431.2656, 606.59)(835.5322, 11396.19)(836.5355, 6219.72)(837.5399, 2134.01)(407.2791, 58237.08)(408.2852, 16170.61)(409.2888, 3402.19)(424.3056, 39762.36)(425.3084, 10969.2)(426.3133, 3150.89)(830.5779, 11307.01)(831.5807, 6713.24)(832.5845, 2009.76)(813.5515, 14133.42)(814.5546, 7550.53)(815.5591, 2235.74)	FindByMolecularFeature	C24 H38 O5	13
4-Amino-2-nitrotoluene	4-Amino-2-nitrotoluene [ C7 H8 N2 O2, overall=81.81, db=81.81, CAS ID=119-32-4, KEGG ID=C18320, METLIN ID=72154 ]	119-32-4		4-Amino-2-nitrotoluene	+	152.0588	2.044231	81.81	C18320	(153.0659, 35807.21)(154.0703, 3778.28)	FindByMolecularFeature	C7 H8 N2 O2	13
4-Oxovalproic acid +7.7280765	4-Oxovalproic acid [ C8 H14 O3, overall=83.87, db=83.87, CAS ID=688-04-0, KEGG ID=C16655, METLIN ID=2995 ]	688-04-0		4-Oxovalproic acid +7.7280765	+	175.1207	7.7280765	83.87	C16655	(176.1279, 13727.27)(177.1327, 1257.77)	FindByMolecularFeature	C8 H14 O3	13
7alpha-Hydroxytestololactone	7alpha-Hydroxytestololactone [ C19 H26 O4, overall=83.90, db=83.90, KEGG ID=C15351, METLIN ID=70824 ]			7alpha-Hydroxytestololactone	+	318.1831	1.1817693	83.9	C15351	(319.1904, 18321.54)(320.1945, 4087.93)(321.1994, 1844.51)(336.2126, 669.01)	FindByMolecularFeature	C19 H26 O4	13
7-Methylxanthine +3.3950768	7-Methylxanthine [ C6 H6 N4 O2, overall=60.71, db=60.71, CAS ID=552-62-5, KEGG ID=C16353, METLIN ID=58075, HMP ID=HMDB01991 ]	552-62-5		7-Methylxanthine +3.3950768	+	166.0496	3.3950768	60.71	C16353	(189.0393, 1727.21)(167.0568, 11747.95)(168.0662, 1358.23)(169.0636, 1056.18)	FindByMolecularFeature	C6 H6 N4 O2	13	HMDB01991
8-Hydroxyguanosine	8-Hydroxyguanosine [ C10 H13 N5 O6, overall=59.72, db=59.72, CAS ID=3868-31-3, METLIN ID=58083, HMP ID=HMDB02044 ]	3868-31-3		8-Hydroxyguanosine	+	321.0705	1.045077	59.72		(322.0778, 6270.62)(323.0793, 1509.23)(324.0757, 1199.17)	FindByMolecularFeature	C10 H13 N5 O6	13	HMDB02044
9S,10S,11R-trihydroxy-12Z-octadecenoic acid	9S,10S,11R-trihydroxy-12Z-octadecenoic acid [ C18 H34 O5, overall=82.53, db=82.53, METLIN ID=36018 ]			9S,10S,11R-trihydroxy-12Z-octadecenoic acid	+	330.2407	1.3430002	82.53		(353.2304, 6543.49)(354.2338, 1990.02)(331.2479, 31308.46)(332.2511, 7234.9)(348.2746, 11996.09)(349.2779, 2649.53)(350.2808, 690.84)	FindByMolecularFeature	C18 H34 O5	13
9-tridecynoic acid	9-tridecynoic acid [ C13 H22 O2, overall=44.73, db=44.73, METLIN ID=35256 ]			9-tridecynoic acid	+	210.1625	1.2289231	44.73		(233.1526, 581.22)(443.3095, 746.68)(211.1698, 7655.63)(212.1653, 2260.86)(228.1966, 63071.35)(421.3319, 1271.37)	FindByMolecularFeature	C13 H22 O2	13
Acexamic Acid	Acexamic Acid [ C8 H15 N O3, overall=60.14, db=60.14, CAS ID=57-08-9, METLIN ID=44105 ]	57-08-9		Acexamic Acid	+	190.1322	7.4764614	60.14		(191.1393, 4860.96)(192.1412, 1235.05)	FindByMolecularFeature	C8 H15 N O3	13
Adenine	Adenine [ C5 H5 N5, overall=73.15, db=73.15, CAS ID=73-24-5, KEGG ID=C00147, METLIN ID=85, HMP ID=HMDB00034 ]	73-24-5		Adenine	+	135.0544	3.6050768	73.15	C00147	(136.0619, 48362.65)(137.0667, 4819.5)(138.056, 2523.63)	FindByMolecularFeature	C5 H5 N5	13	HMDB00034
aminocaproic acid	aminocaproic acid [ C6 H13 N O2, overall=86.74, db=86.74, CAS ID=60-32-2, KEGG ID=C02378, METLIN ID=3926 ]	60-32-2		aminocaproic acid	+	131.0945	6.0319223	86.74	C02378	(132.1018, 29145.5)(133.1046, 1582.7)	FindByMolecularFeature	C6 H13 N O2	13
C10 H20 N4	[ C10 H20 N4, overall=43.53, db=0.00, mfg=87.06 ]			C10 H20 N4	+	196.1691	9.359539	43.53		(197.1764, 20847.6)(198.1793, 2715.25)	FindByMolecularFeature	C10 H20 N4	13
C13 H30 N5 O	[ C13 H30 N5 O, overall=33.87, db=0.00, mfg=67.75 ]			C13 H30 N5 O	+	272.2461	1.2386922	33.87		(273.2537, 5892.98)(274.2561, 1181.71)(275.2514, 783.6)	FindByMolecularFeature	C13 H30 N5 O	13
C16 H23 N2 O3	[ C16 H23 N2 O3, overall=24.10, db=0.00, mfg=48.21 ]			C16 H23 N2 O3	+	291.17	1.0951538	24.1		(292.1769, 8567.31)(293.1779, 2964.98)(309.2075, 1759.02)	FindByMolecularFeature	C16 H23 N2 O3	13
C17 H35 N O3	[ C17 H35 N O3, overall=42.87, db=0.00, mfg=85.73 ]			C17 H35 N O3	+	301.2619	1.082923	42.87		(324.2534, 1688.37)(302.2692, 21330.46)(303.273, 3601.82)(304.2587, 1064.7)	FindByMolecularFeature	C17 H35 N O3	13
C17 H38 N20 O2	[ C17 H38 N20 O2, overall=41.02, db=0.00, mfg=82.03 ]			C17 H38 N20 O2	+	554.3464	6.6030755	41.02		(555.3553, 4092.33)(556.3585, 980.28)	FindByMolecularFeature	C17 H38 N20 O2	13
C18 H38 O5	[ C18 H38 O5, overall=47.42, db=0.00, mfg=94.84 ]			C18 H38 O5	+	334.272	1.2333076	47.42		(335.2791, 7119.96)(336.2817, 2137.61)(337.2833, 696.27)(352.3057, 24235.3)(353.3093, 5074.91)(354.3071, 1372.69)	FindByMolecularFeature	C18 H38 O5	13
C19 H25 N2 S	[ C19 H25 N2 S, overall=44.73, db=0.00, mfg=89.45 ]			C19 H25 N2 S	+	313.174	2.392077	44.73		(314.181, 16928.72)(315.1839, 3256.58)(316.1896, 1009.77)	FindByMolecularFeature	C19 H25 N2 S	13
C19 H41 N	[ C19 H41 N, overall=40.21, db=0.00, mfg=80.42 ]			C19 H41 N	+	283.3238	4.091846	40.21		(284.3313, 4965.57)(285.3343, 1325.27)	FindByMolecularFeature	C19 H41 N	13
C22 H44 N3 O4	[ C22 H44 N3 O4, overall=30.81, db=0.00, mfg=61.62 ]			C22 H44 N3 O4	+	414.3343	1.231077	30.81		(415.3401, 2848.86)(416.3441, 1262.79)	FindByMolecularFeature	C22 H44 N3 O4	13
C23 H52 N4 O12	[ C23 H52 N4 O12, overall=38.77, db=0.00, mfg=77.54 ]			C23 H52 N4 O12	+	576.3591	6.7192307	38.77		(577.3661, 3433.2)(578.3697, 816.89)	FindByMolecularFeature	C23 H52 N4 O12	13
C24 H2 N O23	[ C24 H2 N O23, overall=30.30, db=0.00, mfg=60.60 ]			C24 H2 N O23	+	671.9036	7.161538	30.3		(672.9107, 32073.27)(673.9137, 4433.6)	FindByMolecularFeature	C24 H2 N O23	13
C39 H77 N4 O4 S	[ C39 H77 N4 O4 S, overall=46.56, db=0.00, mfg=93.13 ]			C39 H77 N4 O4 S	+	697.5667	1.1387693	46.56		(698.5738, 5900.76)(699.5777, 2587.21)(700.5809, 953.66)	FindByMolecularFeature	C39 H77 N4 O4 S	13
C9 H20 N2 O	[ C9 H20 N2 O, overall=43.34, db=0.00, mfg=86.68 ]			C9 H20 N2 O	+	172.1574	5.527077	43.34		(195.1466, 1839.98)(173.1645, 15371.68)(174.168, 1522.27)	FindByMolecularFeature	C9 H20 N2 O	13
cis-Zeatin +1.5618463	cis-Zeatin [ C10 H13 N5 O, overall=48.16, db=48.16, CAS ID=, KEGG ID=C15545, METLIN ID=64074 ]			cis-Zeatin +1.5618463	+	219.1158	1.5618463	48.16	C15545	(242.1055, 741.78)(220.1197, 2372.46)(221.1254, 705.27)(237.1486, 1521.66)	FindByMolecularFeature	C10 H13 N5 O	13
Dihydroxycarteolol M2 +2.7813077	Dihydroxycarteolol M2 [ C16 H24 N2 O5, overall=70.99, db=70.99, CAS ID=, METLIN ID=1556 ]			Dihydroxycarteolol M2 +2.7813077	+	324.1686	2.7813077	70.99		(347.158, 2545.16)(348.1571, 838.88)(325.1761, 12487.92)(326.1788, 3505.98)	FindByMolecularFeature	C16 H24 N2 O5	13
Di-n-propylphthalate +8.018231	Di-n-propylphthalate [ C14 H18 O4, overall=76.95, db=76.95, CAS ID=131-16-8, KEGG ID=C14469, METLIN ID=70086 ]	131-16-8		Di-n-propylphthalate +8.018231	+	272.1009	8.018231	76.95	C14469	(273.1081, 31476.2)(274.1115, 4718.62)	FindByMolecularFeature	C14 H18 O4	13
GlcCer(d18:2/20:0)	GlcCer(d18:2/20:0) [ C44 H83 N O8, overall=97.00, db=97.00, Lipid ID=LMSP0501AA34, METLIN ID=83809 ]			GlcCer(d18:2/20:0)	+	770.6383	1.1405385	97		(771.6458, 14921.37)(772.6485, 6580.65)(773.6513, 1800.88)	FindByMolecularFeature	C44 H83 N O8	13		LMSP0501AA34
I-Urobilin +1.4405385	I-Urobilin [ C33 H42 N4 O6, overall=74.79, db=74.79, CAS ID=1856-98-0, KEGG ID=C05794, METLIN ID=58222, HMP ID=HMDB04160 ]	1856-98-0		I-Urobilin +1.4405385	+	590.3101	1.4405385	74.79	C05794	(591.3176, 33269.09)(592.321, 12617.97)	FindByMolecularFeature	C33 H42 N4 O6	13	HMDB04160
L-Alanine	L-Alanine [ C3 H7 N O2, overall=87.43, db=87.43, CAS ID=56-41-7, KEGG ID=C00041, METLIN ID=11, HMP ID=HMDB00161 ]	56-41-7		L-Alanine	+	89.0477	7.1117687	87.43	C00041	(90.0549, 25698.38)(91.058, 1244.38)	FindByMolecularFeature	C3 H7 N O2	13	HMDB00161
m-Aminophenol	m-Aminophenol [ C6 H7 N O, overall=99.67, db=99.67, CAS ID=591-27-5, KEGG ID=C05058, METLIN ID=66287 ]	591-27-5		m-Aminophenol	+	109.0526	6.2761536	99.67	C05058	(110.06, 239406.94)(111.0632, 15846.55)(112.0716, 1592.65)	FindByMolecularFeature	C6 H7 N O	13
Mequitazine +3.7178462	Mequitazine [ C20 H22 N2 S, overall=77.50, db=77.50, CAS ID=29216-28-2, KEGG ID=C12755, METLIN ID=69479 ]	29216-28-2		Mequitazine +3.7178462	+	322.1532	3.7178462	77.5	C12755	(345.1414, 4532.02)(346.1457, 1145.46)(323.1601, 12734.23)(324.163, 2636.92)(325.1639, 709.66)	FindByMolecularFeature	C20 H22 N2 S	13
Mescaline	Mescaline [ C11 H17 N O3, overall=88.26, db=88.26, CAS ID=54-04-6, KEGG ID=C06546, METLIN ID=3346 ]	54-04-6		Mescaline	+	211.1224	1.2527692	88.26	C06546	(212.1288, 32006.13)(213.134, 4104.23)(214.1323, 1360.94)	FindByMolecularFeature	C11 H17 N O3	13
MID42021:(22E)-26,26,26,27,27,27-hexafluoro-25-hydroxy-22,23-didehydrovitamin D3 / (22E)-26,26,26,27	MID42021:(22E)-26,26,26,27,27,27-hexafluoro-25-hydroxy-22,23-didehydrovitamin D3 / (22E)-26,26,26,27 [ C27 H36 F6 O2, overall=70.57, db=70.57, Lipid ID=LMST03020081, METLIN ID=42021 ]			MID42021:(22E)-26,26,26,27,27,27-hexafluoro-25-hydroxy-22,23-didehydrovitamin D3 / (22E)-26,26,26,27	+	528.2416	1.2633076	70.57		(529.2489, 5898.8)(530.2529, 2615.34)(531.2562, 966.48)	FindByMolecularFeature	C27 H36 F6 O2	13		LMST03020081
MID42313:1?,25-dihydroxy-24a,24b-dihomo-22-oxavitamin D3 / 1?,25-dihydroxy-24a,24b-dihomo-22-oxachol	MID42313:1?,25-dihydroxy-24a,24b-dihomo-22-oxavitamin D3 / 1?,25-dihydroxy-24a,24b-dihomo-22-oxachol [ C28 H46 O4, overall=68.75, db=68.75, Lipid ID=LMST03020381, METLIN ID=42313 ]			MID42313:1?,25-dihydroxy-24a,24b-dihomo-22-oxavitamin D3 / 1?,25-dihydroxy-24a,24b-dihomo-22-oxachol	+	446.3394	1.0327692	68.75		(447.347, 3950.17)(448.3502, 1523.46)(449.346, 769.23)(464.3727, 2025.76)(465.3766, 970.4)	FindByMolecularFeature	C28 H46 O4	13		LMST03020381
N-(Carboxymethyl)-D-alanine	N-(Carboxymethyl)-D-alanine [ C5 H9 N O4, overall=82.78, db=82.78, KEGG ID=C03790, METLIN ID=66046 ]			N-(Carboxymethyl)-D-alanine	+	147.0532	7.3265386	82.78	C03790	(148.0604, 18306.4)(149.0649, 1515.05)	FindByMolecularFeature	C5 H9 N O4	13
N-Acetylimidazole	N-Acetylimidazole [ C5 H6 N2 O, overall=90.23, db=90.23, CAS ID=2466-76-4, KEGG ID=C02560, METLIN ID=65788 ]	2466-76-4		N-Acetylimidazole	+	127.0745	3.9674616	90.23	C02560	(128.0819, 26623.13)(129.0822, 2064.08)(130.086, 1046.52)(255.1572, 602.38)	FindByMolecularFeature	C5 H6 N2 O	13
THTC	THTC [ C5 H8 O2 S, overall=97.82, db=97.82, KEGG ID=C11074, METLIN ID=68817 ]			THTC	+	132.0245	6.046231	97.82	C11074	(133.0317, 2897.06)(150.0582, 23185.26)(151.0611, 2030.61)(152.0547, 1522.12)	FindByMolecularFeature	C5 H8 O2 S	13
Trichostatin A	Trichostatin A [ C17 H22 N2 O3, overall=79.96, db=79.96, Lipid ID=LMPK01000055, CAS ID=58880-19-6, METLIN ID=46755 ]	58880-19-6		Trichostatin A	+	302.1627	1.2716923	79.96		(325.1565, 799.69)(303.17, 13245.45)(304.1724, 2039.09)(305.179, 1211.51)(320.2011, 1126.82)	FindByMolecularFeature	C17 H22 N2 O3	13		LMPK01000055
Trimethylaminoacetone	Trimethylaminoacetone [ C6 H14 N O, overall=85.21, db=85.21, CAS ID=13429-97-5, METLIN ID=62917, HMP ID=HMDB12296 ]	13429-97-5		Trimethylaminoacetone	+	115.0994	5.6770773	85.21		(253.1904, 1331.71)(116.1066, 15008.14)(117.1091, 1279.91)	FindByMolecularFeature	C6 H14 N O	13	HMDB12296
11-lauroleic acid	11-lauroleic acid [ C12 H22 O2, overall=52.67, db=52.67, Lipid ID=LMFA01030043, METLIN ID=34732 ]			11-lauroleic acid	+	198.163	1.1005832	52.67		(221.1518, 1851.84)(419.3152, 1364.69)(420.328, 702.0)(199.1698, 2930.49)(200.1707, 1123.91)(414.3598, 1594.12)(397.3283, 1589.84)	FindByMolecularFeature	C12 H22 O2	12		LMFA01030043
1201.3254@1.1040834				1201.3254@1.1040834	+	1201.3254	1.1040834			(1202.3326, 1158.73)(1203.335, 1190.48)(1204.3333, 1446.15)(1205.3306, 767.13)	FindByMolecularFeature		12
1293.3529@1.01225				1293.3529@1.01225	+	1293.3529	1.01225			(1294.3602, 3374.06)(1295.3632, 4640.9)(1296.3604, 5095.96)(1297.3594, 3923.45)(1298.3583, 2453.54)	FindByMolecularFeature		12
2'-Deoxyuridine +7.0474167	2'-Deoxyuridine [ C9 H12 N2 O5, overall=79.81, db=79.81, CAS ID=951-78-0, KEGG ID=C00526, METLIN ID=91 ]	951-78-0		2'-Deoxyuridine +7.0474167	+	245.1015	7.0474167	79.81	C00526	(246.1087, 12894.28)(247.1139, 1332.72)	FindByMolecularFeature	C9 H12 N2 O5	12
420.7537@5.5705833				420.7537@5.5705833	+	420.7537	5.5705833			(421.7611, 18572.59)(422.7649, 1369.95)	FindByMolecularFeature		12
485.4074@1.09175				485.4074@1.09175	+	485.4074	1.09175			(486.4147, 2845.97)(487.4178, 1268.99)(488.3969, 1534.12)	FindByMolecularFeature		12
494.2579@1.1080002				494.2579@1.1080002	+	494.2579	1.1080002			(495.2653, 1939.75)(496.2685, 1187.0)(497.2696, 557.09)	FindByMolecularFeature		12
612.1576@1.0251667				612.1576@1.0251667	+	612.1576	1.0251667			(613.1664, 17122.73)(614.163, 13224.84)(615.1634, 5336.09)(616.1613, 1763.9)(1225.3356, 1483.67)	FindByMolecularFeature		12
9,10-epoxy-13-hydroxy-11-octadecenoic acid	9,10-epoxy-13-hydroxy-11-octadecenoic acid [ C18 H32 O4, overall=61.46, db=61.46, KEGG ID=C14834, METLIN ID=35864 ]			9,10-epoxy-13-hydroxy-11-octadecenoic acid	+	312.23	1.1166667	61.46	C14834	(335.2195, 871.8)(313.238, 7735.67)(314.2397, 2672.33)(330.2641, 7158.28)	FindByMolecularFeature	C18 H32 O4	12
939.8119@5.691583				939.8119@5.691583	+	939.8119	5.691583			(940.8196, 2939.29)(941.8233, 1052.63)	FindByMolecularFeature		12
aminocaproic acid +6.4613338	aminocaproic acid [ C6 H13 N O2, overall=87.64, db=87.64, CAS ID=60-32-2, KEGG ID=C02378, METLIN ID=3926 ]	60-32-2		aminocaproic acid +6.4613338	+	131.0946	6.4613338	87.64	C02378	(132.102, 381527.3)(133.1052, 29691.71)	FindByMolecularFeature	C6 H13 N O2	12
Anthranilic acid +6.9264164	Anthranilic acid [ C7 H7 N O2, overall=85.02, db=85.02, CAS ID=118-92-3, KEGG ID=C00108, METLIN ID=317 ]	118-92-3		Anthranilic acid +6.9264164	+	137.0474	6.9264164	85.02	C00108	(138.0547, 42473.12)(139.0584, 4385.31)(155.0814, 2110.54)	FindByMolecularFeature	C7 H7 N O2	12
C12 H25 N5 S	[ C12 H25 N5 S, overall=30.30, db=0.00, mfg=60.59 ]			C12 H25 N5 S	+	271.1794	1.1765833	30.3		(294.1688, 905.83)(272.188, 3771.98)(273.1834, 1414.08)(289.2169, 3342.49)(290.2212, 916.62)	FindByMolecularFeature	C12 H25 N5 S	12
C15 H29 N O2	[ C15 H29 N O2, overall=40.04, db=0.00, mfg=80.09 ]			C15 H29 N O2	+	255.2204	1.2084166	40.04		(278.2076, 1259.84)(256.2277, 12123.41)(257.2274, 2663.03)(258.2303, 762.66)(273.2502, 3026.1)	FindByMolecularFeature	C15 H29 N O2	12
C17 H13 N2	[ C17 H13 N2, overall=39.92, db=0.00, mfg=79.83 ]			C17 H13 N2	+	245.1078	2.4936664	39.92		(268.0994, 624.59)(246.1149, 5912.4)(247.1171, 842.48)	FindByMolecularFeature	C17 H13 N2	12
C17 H22 N O2	[ C17 H22 N O2, overall=32.95, db=0.00, mfg=65.90 ]			C17 H22 N O2	+	272.1648	1.0766666	32.95		(273.1728, 3762.12)(274.1721, 1016.49)(290.1982, 5239.06)(291.1988, 2007.27)	FindByMolecularFeature	C17 H22 N O2	12
C17 H43 N16 O7	[ C17 H43 N16 O7, overall=47.96, db=0.00, mfg=95.93 ]			C17 H43 N16 O7	+	583.3493	6.670667	47.96		(584.3565, 46431.09)(585.3597, 10826.61)(586.3623, 760.35)	FindByMolecularFeature	C17 H43 N16 O7	12
C21 H2 N2 O21 S	[ C21 H2 N2 O21 S, overall=26.33, db=0.00, mfg=52.66 ]			C21 H2 N2 O21 S	+	649.8902	6.987583	26.33		(650.8972, 23673.56)(651.8998, 3175.84)	FindByMolecularFeature	C21 H2 N2 O21 S	12
C22 H4 N3 O24	[ C22 H4 N3 O24, overall=37.66, db=0.00, mfg=75.32 ]			C22 H4 N3 O24	+	693.9168	7.23275	37.66		(694.9239, 26095.0)(695.9276, 3711.96)(696.9233, 768.23)	FindByMolecularFeature	C22 H4 N3 O24	12
C22 H47 N O12	[ C22 H47 N O12, overall=44.49, db=0.00, mfg=88.98 ]			C22 H47 N O12	+	517.3098	6.3348336	44.49		(518.3171, 28522.41)(519.3203, 5178.53)(520.3316, 828.28)	FindByMolecularFeature	C22 H47 N O12	12
C26 H55 N O14	[ C26 H55 N O14, overall=46.46, db=0.00, mfg=92.93 ]			C26 H55 N O14	+	605.3623	6.782833	46.46		(606.3696, 45769.3)(607.3729, 11238.34)(608.3785, 1174.42)	FindByMolecularFeature	C26 H55 N O14	12
C26 H6 N O24	[ C26 H6 N O24, overall=30.02, db=0.00, mfg=60.03 ]			C26 H6 N O24	+	715.9299	7.36375	30.02		(716.937, 19837.18)(717.9398, 3031.85)	FindByMolecularFeature	C26 H6 N O24	12
C27 H39 N3 O2 S3	[ C27 H39 N3 O2 S3, overall=38.92, db=0.00, mfg=77.83 ]			C27 H39 N3 O2 S3	+	533.2207	1.3390833	38.92		(556.2078, 1482.16)(534.2282, 2224.45)(535.2305, 1033.62)(536.227, 773.25)	FindByMolecularFeature	C27 H39 N3 O2 S3	12
C28 H52 N15 O	[ C28 H52 N15 O, overall=38.64, db=0.00, mfg=77.29 ]			C28 H52 N15 O	+	614.4478	4.5605836	38.64		(615.4546, 3379.76)(616.4583, 1235.35)	FindByMolecularFeature	C28 H52 N15 O	12
C3 H2 Cl2 N4 O S2	[ C3 H2 Cl2 N4 O S2, overall=23.32, db=0.00, mfg=46.65 ]			C3 H2 Cl2 N4 O S2	+	243.9038	2.131	23.32		(244.9115, 2087.27)(261.9379, 2466.05)	FindByMolecularFeature	C3 H2 Cl2 N4 O S2	12
C32 H40 N5 O	[ C32 H40 N5 O, overall=32.98, db=0.00, mfg=65.96 ]			C32 H40 N5 O	+	510.3213	1.2455833	32.98		(533.3166, 798.07)(511.328, 5773.68)(512.3343, 3140.82)(513.3413, 780.74)(528.35, 991.88)	FindByMolecularFeature	C32 H40 N5 O	12
C32 H67 N O17	[ C32 H67 N O17, overall=48.83, db=0.00, mfg=97.67 ]			C32 H67 N O17	+	737.441	7.471	48.83		(738.4486, 11134.54)(739.4522, 3736.54)(740.4554, 882.07)	FindByMolecularFeature	C32 H67 N O17	12
C36 H23 Cl N O2	[ C36 H23 Cl N O2, overall=41.74, db=0.00, mfg=83.47 ]			C36 H23 Cl N O2	+	536.1426	1.0380833	41.74		(537.1511, 17945.35)(554.1761, 142822.62)(555.1767, 71511.75)(556.175, 51226.4)(557.1748, 18198.99)	FindByMolecularFeature	C36 H23 Cl N O2	12
C46 H88 Cl N3 O3	[ C46 H88 Cl N3 O3, overall=42.30, db=0.00, mfg=84.59 ]			C46 H88 Cl N3 O3	+	765.6487	1.0201666	42.3		(766.655, 6762.3)(767.6594, 3549.91)(768.6693, 2829.73)(769.674, 1000.41)	FindByMolecularFeature	C46 H88 Cl N3 O3	12
C48 H78 O7	[ C48 H78 O7, overall=49.65, db=0.00, mfg=99.30 ]			C48 H78 O7	+	766.5747	1.336	49.65		(767.5814, 20998.67)(768.585, 11260.06)(769.5875, 3312.01)(770.5902, 798.85)	FindByMolecularFeature	C48 H78 O7	12
C53 H26 N10 O2	[ C53 H26 N10 O2, overall=34.92, db=0.00, mfg=69.85 ]			C53 H26 N10 O2	+	834.2276	1.0173334	34.92		(835.2348, 10045.0)(836.2314, 7190.77)(837.2269, 3018.81)	FindByMolecularFeature	C53 H26 N10 O2	12
Chaksine	Chaksine [ C22 H38 N6 O4, overall=15.80, db=15.80, CAS ID=486-53-3, KEGG ID=C09940, METLIN ID=68027 ]	486-53-3		Chaksine	+	450.2982	1.3350834	15.8	C09940	(473.2904, 1271.36)(451.3071, 1774.88)(452.3178, 1092.43)(453.3194, 1598.28)(468.33, 1783.53)(469.3227, 1055.49)(470.3226, 1052.6)	FindByMolecularFeature	C22 H38 N6 O4	12
Diphenylcarbazide +1.5233334	Diphenylcarbazide [ C13 H14 N4 O, overall=59.51, db=59.51, CAS ID=140-22-7, KEGG ID=C11232, METLIN ID=68930 ]	140-22-7		Diphenylcarbazide +1.5233334	+	242.1158	1.5233334	59.51	C11232	(265.105, 4406.38)(266.1072, 1462.61)(243.1229, 5116.88)(244.1237, 1118.99)(245.1306, 1024.13)(260.149, 4689.93)(261.142, 1203.85)	FindByMolecularFeature	C13 H14 N4 O	12
Glycyl-L-leucine	Glycyl-L-leucine [ C8 H16 N2 O3, overall=65.97, db=65.97, CAS ID=869-19-2, KEGG ID=C02155, METLIN ID=5727, HMP ID=HMDB00759 ]	869-19-2		Glycyl-L-leucine	+	188.1166	6.656584	65.97	C02155	(211.1067, 2728.0)(212.1012, 351.68)(189.1237, 9857.27)(190.1208, 1607.05)	FindByMolecularFeature	C8 H16 N2 O3	12	HMDB00759
Isodomoic acid A	Isodomoic acid A [ C15 H21 N O6, overall=85.03, db=85.03, CAS ID=101899-44-9, KEGG ID=C20027, METLIN ID=73512 ]	101899-44-9		Isodomoic acid A	+	311.1372	1.4748335	85.03	C20027	(334.1281, 1769.88)(312.1444, 37740.8)(313.148, 6698.63)	FindByMolecularFeature	C15 H21 N O6	12
Leupeptin +1.2569166	Leupeptin [ C20 H38 N6 O4, overall=65.08, db=65.08, CAS ID=24365-47-7, KEGG ID=C01591, METLIN ID=65617 ]	24365-47-7		Leupeptin +1.2569166	+	426.2981	1.2569166	65.08	C01591	(449.2886, 1455.95)(427.3054, 3141.09)(428.3057, 1139.31)(429.311, 1216.77)(444.332, 7109.59)(445.3347, 2044.79)	FindByMolecularFeature	C20 H38 N6 O4	12
L-prolyl-L-proline	L-prolyl-L-proline [ C10 H16 N2 O3, overall=80.22, db=80.22, METLIN ID=62027, HMP ID=HMDB11180 ]			L-prolyl-L-proline	+	212.1166	6.9702506	80.22		(213.1236, 26462.12)(214.1287, 3493.65)	FindByMolecularFeature	C10 H16 N2 O3	12	HMDB11180
Lys Arg Ile	Lys Arg Ile [ C18 H37 N7 O4, overall=80.79, db=80.79, METLIN ID=19438 ]			Lys Arg Ile	+	437.2732	6.086	80.79		(438.2807, 214848.36)(439.2837, 27796.66)(440.3016, 2079.23)	FindByMolecularFeature	C18 H37 N7 O4	12
Lys Phe Gln +1.32425	Lys Phe Gln [ C20 H31 N5 O5, overall=56.22, db=56.22, METLIN ID=22733 ]			Lys Phe Gln +1.32425	+	421.2355	1.32425	56.22		(444.2254, 805.88)(422.243, 10725.23)(423.2483, 3555.31)(424.2498, 1006.51)(439.2701, 1055.78)	FindByMolecularFeature	C20 H31 N5 O5	12
Magnoshinin	Magnoshinin [ C24 H30 O6, overall=99.78, db=99.78, CAS ID=86702-02-5, KEGG ID=C10658, METLIN ID=68471 ]	86702-02-5		Magnoshinin	+	431.2309	1.14825	99.78	C10658	(432.2381, 120090.48)(433.2414, 31346.27)(434.2443, 6087.52)(435.2463, 934.91)	FindByMolecularFeature	C24 H30 O6	12
MG(18:1(9Z)/0:0/0:0)	MG(18:1(9Z)/0:0/0:0) [ C21 H40 O4, overall=29.83, db=29.83, METLIN ID=62349, HMP ID=HMDB11567 ]			MG(18:1(9Z)/0:0/0:0)	+	356.2903	1.1549166	29.83		(357.2995, 3745.93)(358.2954, 1933.89)	FindByMolecularFeature	C21 H40 O4	12	HMDB11567
N-stearoyl tyrosine	N-stearoyl tyrosine [ C27 H45 N O4, overall=88.65, db=88.65, Lipid ID=LMFA08020100, METLIN ID=75482 ]			N-stearoyl tyrosine	+	447.3341	4.7948337	88.65		(448.3414, 8119.1)(449.3434, 2647.66)(450.3463, 863.75)	FindByMolecularFeature	C27 H45 N O4	12		LMFA08020100
para-Benzoquinone dioxime +6.0573335	para-Benzoquinone dioxime [ C6 H6 N2 O2, overall=61.14, db=61.14, CAS ID=105-11-3, KEGG ID=C19345, METLIN ID=73051 ]	105-11-3		para-Benzoquinone dioxime +6.0573335	+	138.0429	6.0573335	61.14	C19345	(139.0504, 5551.55)(140.0451, 810.74)(156.0755, 980.39)(294.1211, 1078.55)	FindByMolecularFeature	C6 H6 N2 O2	12
PI(12:0/12:0)	PI(12:0/12:0) [ C33 H63 O13 P, overall=92.47, db=92.47, Lipid ID=LMGP06010962, METLIN ID=80984 ]			PI(12:0/12:0)	+	715.428	7.3225837	92.47		(716.4353, 26591.1)(717.4387, 8673.22)(718.443, 1094.91)	FindByMolecularFeature	C33 H63 O13 P	12		LMGP06010962
PI(15:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	PI(15:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C46 H75 O13 P, overall=66.24, db=66.24, Lipid ID=LMGP06010159, METLIN ID=80181 ]			PI(15:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	+	866.5002	1.3369168	66.24		(889.4894, 795.55)(890.4931, 687.17)(867.5075, 5942.32)(868.5107, 3276.87)(869.5118, 1491.06)(884.5332, 600.4)	FindByMolecularFeature	C46 H75 O13 P	12		LMGP06010159
PI(22:1(11Z)/0:0) +7.175916	PI(22:1(11Z)/0:0) [ C31 H59 O12 P, overall=88.68, db=88.68, Lipid ID=LMGP06050022, METLIN ID=81187 ]			PI(22:1(11Z)/0:0) +7.175916	+	671.4018	7.175916	88.68		(672.4091, 48197.4)(673.4119, 13050.81)(674.4147, 1350.17)	FindByMolecularFeature	C31 H59 O12 P	12		LMGP06050022
p-Lactophenetide +6.45775	p-Lactophenetide [ C11 H15 N O3, overall=82.45, db=82.45, CAS ID=539-08-2, KEGG ID=C14262, METLIN ID=69921 ]	539-08-2		p-Lactophenetide +6.45775	+	209.1054	6.45775	82.45	C14262	(210.1127, 21853.0)(211.116, 3624.37)(227.1384, 1139.4)	FindByMolecularFeature	C11 H15 N O3	12
Propoxur	Propoxur [ C11 H15 N O3, overall=96.06, db=96.06, CAS ID=114-26-1, KEGG ID=C14334, METLIN ID=44243 ]	114-26-1		Propoxur	+	209.1057	6.623167	96.06	C14334	(210.113, 37537.25)(211.1162, 5539.51)(212.1214, 998.71)	FindByMolecularFeature	C11 H15 N O3	12
Purpureacin-1	Purpureacin-1 [ C37 H66 O8, overall=48.14, db=48.14, CAS ID=150134-21-7, KEGG ID=C08505, METLIN ID=67027 ]	150134-21-7		Purpureacin-1	+	655.5021	1.0275002	48.14	C08505	(656.5105, 4291.38)(657.5176, 1469.12)(658.5225, 1855.58)	FindByMolecularFeature	C37 H66 O8	12
Retronecine	Retronecine [ C8 H13 N O2, overall=98.33, db=98.33, CAS ID=480-85-3, KEGG ID=C06177, METLIN ID=64442 ]	480-85-3		Retronecine	+	172.1215	2.9596665	98.33	C06177	(173.1287, 88745.89)(174.1322, 7288.36)(175.1335, 878.34)	FindByMolecularFeature	C8 H13 N O2	12
Sethoxydim	Sethoxydim [ C17 H29 N O3 S, overall=55.32, db=55.32, CAS ID=74051-80-2, KEGG ID=C18539, METLIN ID=72345 ]	74051-80-2		Sethoxydim	+	327.1891	1.5755835	55.32	C18539	(328.1969, 10659.02)(329.2005, 1967.09)	FindByMolecularFeature	C17 H29 N O3 S	12
tachysterol3	tachysterol3 [ C27 H44 O, overall=78.78, db=78.78, Lipid ID=LMST03020223, METLIN ID=42160 ]			tachysterol3	+	384.3398	1.0775833	78.78		(385.3465, 6738.38)(386.3467, 1842.51)(387.3464, 521.91)	FindByMolecularFeature	C27 H44 O	12		LMST03020223
Tauroursocholic acid	Tauroursocholic acid [ C26 H45 N O7 S, overall=79.65, db=79.65, Lipid ID=LMST05040014, METLIN ID=57999 ]			Tauroursocholic acid	+	515.2941	3.76025	79.65		(516.3014, 28149.8)(517.3052, 7188.63)(518.3071, 2055.93)	FindByMolecularFeature	C26 H45 N O7 S	12		LMST05040014
THA	THA [ C24 H36 O2, overall=97.00, db=97.00, Lipid ID=LMFA01030822, METLIN ID=74358 ]			THA	+	356.2715	1.0845834	97		(357.2788, 58114.71)(358.2822, 17687.0)(359.2868, 2267.81)	FindByMolecularFeature	C24 H36 O2	12		LMFA01030822
TyrMe-Nap-OH	TyrMe-Nap-OH [ C29 H26 N2 O7, overall=55.96, db=55.96, METLIN ID=65340 ]			TyrMe-Nap-OH	+	531.2049	1.2454166	55.96		(532.2123, 4739.82)(533.2144, 1715.05)(534.2134, 879.95)	FindByMolecularFeature	C29 H26 N2 O7	12
ZK118182 isopropyl ester	ZK118182 isopropyl ester [ C23 H37 Cl O5, overall=71.36, db=71.36, CAS ID=154927-31-8, METLIN ID=64834 ]	154927-31-8		ZK118182 isopropyl ester	+	428.2328	5.7938333	71.36		(429.2399, 2037.17)(430.2462, 565.15)(431.243, 630.09)	FindByMolecularFeature	C23 H37 Cl O5	12
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +1.838182	(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid [ C24 H40 O5, overall=98.85, db=98.85, METLIN ID=42694 ]			(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +1.838182	+	425.314	1.838182	98.85		(426.3219, 593045.0)(427.3249, 171066.62)(428.3277, 27023.31)(429.3303, 3861.58)	FindByMolecularFeature	C24 H40 O5	11
(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol	(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol [ C27 H48 O7, overall=81.61, db=81.61, Lipid ID=LMST01010327, METLIN ID=83928 ]			(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol	+	501.3664	1.2687274	81.61		(502.3734, 5126.46)(503.3763, 1723.54)(504.3843, 757.2)	FindByMolecularFeature	C27 H48 O7	11		LMST01010327
(R)-Flurbiprofen	(R)-Flurbiprofen [ C15 H13 F O2, overall=64.46, db=64.46, CAS ID=51543-40-9, METLIN ID=63045 ]	51543-40-9		(R)-Flurbiprofen	+	244.0892	2.378909	64.46		(245.0966, 3584.25)(246.0982, 1044.6)(247.1037, 809.97)	FindByMolecularFeature	C15 H13 F O2	11
?-PHENYL-gamma-Aminobutyric Acid +6.8130007	?-PHENYL-gamma-Aminobutyric Acid [ C10 H13 N O2, overall=85.32, db=85.32, CAS ID=1078-21-3, METLIN ID=73557 ]	1078-21-3		?-PHENYL-gamma-Aminobutyric Acid +6.8130007	+	179.0949	6.8130007	85.32		(180.1021, 25327.59)(181.1051, 3537.52)	FindByMolecularFeature	C10 H13 N O2	11
10-(beta-Dimethylaminopropionyl)phenothiazine	10-(beta-Dimethylaminopropionyl)phenothiazine [ C17 H18 N2 O S, overall=53.48, db=53.48, CAS ID=63834-04-8, KEGG ID=C17619, METLIN ID=71822 ]	63834-04-8		10-(beta-Dimethylaminopropionyl)phenothiazine	+	298.1169	3.2032728	53.48	C17619	(321.1064, 1123.77)(299.1241, 9194.22)(300.1264, 1354.9)	FindByMolecularFeature	C17 H18 N2 O S	11
15-Oxo-5?-cholan-24-oic Acid +1.336	15-Oxo-5?-cholan-24-oic Acid [ C24 H38 O3, overall=77.22, db=77.22, METLIN ID=42923 ]			15-Oxo-5?-cholan-24-oic Acid +1.336	+	374.2819	1.336	77.22		(375.2894, 6496.83)(376.2936, 2231.36)(377.2974, 1088.22)(749.5695, 942.7)	FindByMolecularFeature	C24 H38 O3	11
1-Aminocyclohexanecarboxylic acid	1-Aminocyclohexanecarboxylic acid [ C7 H13 N O2, overall=86.86, db=86.86, CAS ID=2756-85-6, METLIN ID=6589, HMP ID=HMDB02279 ]	2756-85-6		1-Aminocyclohexanecarboxylic acid	+	143.0947	7.072182	86.86		(144.1021, 19783.94)(145.1045, 1462.12)	FindByMolecularFeature	C7 H13 N O2	11	HMDB02279
1-Naphthylamine	1-Naphthylamine [ C10 H9 N, overall=66.30, db=66.30, CAS ID=134-32-7, KEGG ID=C14790, METLIN ID=70324 ]	134-32-7		1-Naphthylamine	+	143.0736	4.539273	66.3	C14790	(144.0812, 14160.37)(145.0859, 2313.63)(146.0805, 1475.03)(161.1072, 9705.94)(162.1182, 2463.75)	FindByMolecularFeature	C10 H9 N	11
24-hydroxy-10Z-tetracosenoic acid	24-hydroxy-10Z-tetracosenoic acid [ C24 H46 O3, overall=38.96, db=38.96, Lipid ID=LMFA01050215, METLIN ID=74592 ]			24-hydroxy-10Z-tetracosenoic acid	+	382.344	1.1236364	38.96		(405.334, 944.0)(383.3515, 3861.72)(384.3497, 2003.5)	FindByMolecularFeature	C24 H46 O3	11		LMFA01050215
35-aminobacteriohopane-32,33,34-triol	35-aminobacteriohopane-32,33,34-triol [ C35 H63 N O3, overall=58.45, db=58.45, Lipid ID=LMPR04000005, METLIN ID=53865 ]			35-aminobacteriohopane-32,33,34-triol	+	545.4805	4.498728	58.45		(546.4877, 2330.22)(547.4898, 1439.16)	FindByMolecularFeature	C35 H63 N O3	11		LMPR04000005
3-Acetamidopropanal	3-Acetamidopropanal [ C5 H9 N O2, overall=87.21, db=87.21, KEGG ID=C18170, METLIN ID=72070 ]			3-Acetamidopropanal	+	115.0632	1.3682727	87.21	C18170	(116.0705, 47889.87)(117.0737, 3456.49)	FindByMolecularFeature	C5 H9 N O2	11
3-Isopropylcatechol	3-Isopropylcatechol [ C9 H12 O2, overall=59.01, db=59.01, CAS ID=2138-48-9, KEGG ID=C01014, METLIN ID=65552 ]	2138-48-9		3-Isopropylcatechol	+	152.0842	1.1702728	59.01	C01014	(153.0905, 2754.04)(154.0885, 559.24)(170.1179, 20512.73)(171.1282, 3383.58)	FindByMolecularFeature	C9 H12 O2	11
5(6)-EpETrE-EA	5(6)-EpETrE-EA [ C22 H37 N O3, overall=67.14, db=67.14, Lipid ID=LMFA08040032, METLIN ID=36762 ]			5(6)-EpETrE-EA	+	380.3032	1.5130908	67.14		(381.3107, 6449.19)(382.3142, 2427.36)	FindByMolecularFeature	C22 H37 N O3	11		LMFA08040032
5beta-Chola-3,8(14),11-trien-24-oic Acid	5beta-Chola-3,8(14),11-trien-24-oic Acid [ C24 H34 O2, overall=80.55, db=80.55, Lipid ID=LMST04010327, METLIN ID=84636 ]			5beta-Chola-3,8(14),11-trien-24-oic Acid	+	354.2557	1.0463636	80.55		(355.263, 11180.91)(356.2667, 3369.43)	FindByMolecularFeature	C24 H34 O2	11		LMST04010327
605.864@6.7756367				605.864@6.7756367	+	605.864	6.7756367			(606.8712, 31736.26)(607.8739, 2957.04)(608.8584, 597.45)	FindByMolecularFeature		11
8-Hydroxyadenine +3.9255457	8-Hydroxyadenine [ C5 H5 N5 O, overall=76.31, db=76.31, CAS ID=21149-26-8, METLIN ID=5527, HMP ID=HMDB00542 ]	21149-26-8		8-Hydroxyadenine +3.9255457	+	151.0503	3.9255457	76.31		(174.039, 4231.04)(152.0573, 18260.02)(153.065, 1686.35)(154.0526, 639.43)	FindByMolecularFeature	C5 H5 N5 O	11	HMDB00542
9-undecynoic acid	9-undecynoic acid [ C11 H18 O2, overall=65.52, db=65.52, METLIN ID=35271 ]			9-undecynoic acid	+	182.1307	1.2131819	65.52		(387.2534, 1471.38)(183.1379, 2832.08)(184.1333, 795.14)(200.1659, 7790.92)(201.1699, 1500.29)(382.2929, 1476.52)(365.2652, 894.39)	FindByMolecularFeature	C11 H18 O2	11
all-trans-hexaprenyl diphosphate	all-trans-hexaprenyl diphosphate [ C30 H52 O7 P2, overall=88.32, db=88.32, Lipid ID=LMPR03030005, KEGG ID=C01230, METLIN ID=53853 ]			all-trans-hexaprenyl diphosphate	+	603.346	3.944818	88.32	C01230	(604.3542, 5946.99)(605.3568, 1778.98)(606.3596, 698.44)	FindByMolecularFeature	C30 H52 O7 P2	11		LMPR03030005
A-Norpregn-3(5)-ene-2,20-dione	A-Norpregn-3(5)-ene-2,20-dione [ C20 H28 O2, overall=77.65, db=77.65, KEGG ID=C15263, METLIN ID=70740 ]			A-Norpregn-3(5)-ene-2,20-dione	+	300.2092	1.1511818	77.65	C15263	(301.2163, 15886.65)(302.2218, 2815.12)	FindByMolecularFeature	C20 H28 O2	11
C10 H22 O5	[ C10 H22 O5, overall=22.48, db=0.00, mfg=44.97 ]			C10 H22 O5	+	222.1494	1.490182	22.48		(223.1567, 2271.14)(224.1584, 700.07)(225.1504, 535.78)(240.1805, 2479.36)(241.1801, 889.62)(445.3018, 862.96)	FindByMolecularFeature	C10 H22 O5	11
C13 H23 N O2	[ C13 H23 N O2, overall=37.58, db=0.00, mfg=75.15 ]			C13 H23 N O2	+	225.1733	1.332909	37.58		(226.1808, 17250.07)(227.1807, 3176.36)(243.2056, 1105.06)(468.3816, 608.53)(451.3488, 1166.65)	FindByMolecularFeature	C13 H23 N O2	11
C15 H6 N5 O16	[ C15 H6 N5 O16, overall=33.77, db=0.00, mfg=67.55 ]			C15 H6 N5 O16	+	511.9789	7.586	33.77		(512.9859, 15608.16)(513.9894, 2083.7)	FindByMolecularFeature	C15 H6 N5 O16	11
C16 H39 N11 O7	[ C16 H39 N11 O7, overall=36.77, db=0.00, mfg=73.55 ]			C16 H39 N11 O7	+	497.3033	7.4746366	36.77		(498.3104, 13363.91)(499.3133, 1839.1)	FindByMolecularFeature	C16 H39 N11 O7	11
C19 H2 N O22 S	[ C19 H2 N O22 S, overall=35.66, db=0.00, mfg=71.31 ]			C19 H2 N O22 S	+	627.8771	6.9645457	35.66		(628.8846, 33342.39)(629.8867, 4613.68)(630.8718, 745.46)	FindByMolecularFeature	C19 H2 N O22 S	11
C19 H39 N8	[ C19 H39 N8, overall=33.48, db=0.00, mfg=66.97 ]			C19 H39 N8	+	379.3295	1.2132727	33.48		(380.3364, 3687.32)(381.3397, 1353.15)	FindByMolecularFeature	C19 H39 N8	11
C23 H29 N19 O8 S2	[ C23 H29 N19 O8 S2, overall=43.36, db=0.00, mfg=86.71 ]			C23 H29 N19 O8 S2	+	763.1853	1.0198182	43.36		(764.1968, 4527.43)(765.195, 1599.09)(766.1916, 773.56)	FindByMolecularFeature	C23 H29 N19 O8 S2	11
C26 H55 N O14 +6.865364	[ C26 H55 N O14, overall=45.57, db=0.00, mfg=91.15 ]			C26 H55 N O14 +6.865364	+	605.3623	6.865364	45.57		(606.3697, 63235.7)(607.3729, 14813.06)(608.3763, 1370.91)	FindByMolecularFeature	C26 H55 N O14	11
C27 H47 N8 O3	[ C27 H47 N8 O3, overall=38.01, db=0.00, mfg=76.01 ]			C27 H47 N8 O3	+	531.3781	1.4672729	38.01		(532.3853, 4163.8)(533.3874, 1509.24)	FindByMolecularFeature	C27 H47 N8 O3	11
C28 H51 Cl N2 O4 S	[ C28 H51 Cl N2 O4 S, overall=33.27, db=0.00, mfg=66.53 ]			C28 H51 Cl N2 O4 S	+	546.3209	1.5009091	33.27		(547.3282, 5290.98)(548.3314, 2050.77)(549.3429, 3237.26)(550.3465, 1504.67)	FindByMolecularFeature	C28 H51 Cl N2 O4 S	11
C29 H23 N O S2	[ C29 H23 N O S2, overall=36.36, db=0.00, mfg=72.72 ]			C29 H23 N O S2	+	465.1218	1.0470909	36.36		(466.1305, 5539.81)(467.1284, 2533.6)(468.128, 842.91)(483.1553, 3255.97)(484.1518, 1118.9)	FindByMolecularFeature	C29 H23 N O S2	11
C31 H59 N O9	[ C31 H59 N O9, overall=45.06, db=0.00, mfg=90.12 ]			C31 H59 N O9	+	589.4187	1.5688182	45.06		(590.426, 5233.48)(591.4287, 1802.01)(592.4338, 752.98)	FindByMolecularFeature	C31 H59 N O9	11
C38 H77 N O S2	[ C38 H77 N O S2, overall=46.26, db=0.00, mfg=92.52 ]			C38 H77 N O S2	+	627.5434	1.0189999	46.26		(628.5515, 3865.53)(629.555, 1557.22)(630.5514, 530.14)	FindByMolecularFeature	C38 H77 N O S2	11
C45 H51 N26 O	[ C45 H51 N26 O, overall=31.59, db=0.00, mfg=63.19 ]			C45 H51 N26 O	+	971.4741	1.0368181	31.59		(972.4814, 10457.84)(973.4846, 6147.91)	FindByMolecularFeature	C45 H51 N26 O	11
C6 H7 N O5 S	[ C6 H7 N O5 S, overall=48.90, db=0.00, mfg=97.79 ]			C6 H7 N O5 S	+	205.0051	0.8925455	48.9		(227.9943, 2595.77)(206.0124, 10805.39)(207.0147, 821.22)(208.0103, 689.9)	FindByMolecularFeature	C6 H7 N O5 S	11
CAY10621	CAY10621 [ C26 H45 N O4, overall=91.89, db=91.89, CAS ID=120005-55-2, METLIN ID=45549 ]	120005-55-2		CAY10621	+	435.3347	1.0409092	91.89		(436.342, 9411.78)(437.3456, 3450.22)(438.3493, 777.47)	FindByMolecularFeature	C26 H45 N O4	11
Debromoaplysiatoxin	Debromoaplysiatoxin [ C32 H48 O10, overall=95.74, db=95.74, CAS ID=52423-28-6, KEGG ID=C05148, METLIN ID=66295 ]	52423-28-6		Debromoaplysiatoxin	+	592.3244	1.2424544	95.74	C05148	(593.3319, 11572.72)(594.3339, 4133.36)(595.3381, 1316.97)	FindByMolecularFeature	C32 H48 O10	11
DMPO +6.4671817	DMPO [ C6 H11 N O, overall=99.90, db=99.90, CAS ID=3317-61-1, METLIN ID=64638 ]	3317-61-1		DMPO +6.4671817	+	113.084	6.4671817	99.9		(114.0911, 106954.87)(115.0945, 7336.91)(116.1053, 1091.0)(131.1179, 742783.44)(132.1209, 57626.75)(133.1227, 3347.78)(227.175, 1644.96)	FindByMolecularFeature	C6 H11 N O	11
Ethyl 3-(N-butylacetamido)propionate	Ethyl 3-(N-butylacetamido)propionate [ C11 H21 N O3, overall=71.42, db=71.42, CAS ID=52304-36-6, KEGG ID=C18830, METLIN ID=72595 ]	52304-36-6		Ethyl 3-(N-butylacetamido)propionate	+	215.1529	1.4166363	71.42	C18830	(238.1426, 1710.2)(216.1599, 2894.0)(217.1606, 542.23)	FindByMolecularFeature	C11 H21 N O3	11
Evadol	Evadol [ C16 H19 N O3, overall=81.45, db=81.45, CAS ID=5934-19-0, KEGG ID=C15360, METLIN ID=70832 ]	5934-19-0		Evadol	+	273.1372	1.2625455	81.45	C15360	(274.1441, 15016.02)(275.1483, 3183.31)(291.1711, 3683.3)(292.1768, 1257.97)	FindByMolecularFeature	C16 H19 N O3	11
Gentamicin C1a +3.549727	Gentamicin C1a [ C19 H39 N5 O7, overall=94.36, db=94.36, CAS ID=26098-04-4, KEGG ID=C00908, METLIN ID=3051 ]	26098-04-4		Gentamicin C1a +3.549727	+	471.2678	3.549727	94.36	C00908	(472.2747, 13742.44)(473.2782, 3254.66)(474.2807, 1097.01)	FindByMolecularFeature	C19 H39 N5 O7	11
Gliquidone +1.8444546	Gliquidone [ C27 H33 N3 O6 S, overall=81.00, db=81.00, CAS ID=33342-05-1, METLIN ID=3123 ]	33342-05-1		Gliquidone +1.8444546	+	544.2363	1.8444546	81		(545.2435, 14020.56)(546.2464, 6036.02)(547.2491, 1980.32)	FindByMolecularFeature	C27 H33 N3 O6 S	11
L-Adrenaline	L-Adrenaline [ C9 H13 N O3, overall=84.72, db=84.72, CAS ID=51-43-4, KEGG ID=C00788, METLIN ID=63502 ]	51-43-4		L-Adrenaline	+	183.0901	2.8788183	84.72	C00788	(206.0811, 603.76)(184.0974, 22804.02)(185.1004, 2780.81)	FindByMolecularFeature	C9 H13 N O3	11
Leu Ala	Leu Ala [ C9 H18 N2 O3, overall=67.16, db=67.16, CAS ID=, METLIN ID=44685 ]			Leu Ala	+	202.1322	4.135818	67.16		(225.1221, 868.65)(203.1396, 4211.04)(204.1436, 833.6)	FindByMolecularFeature	C9 H18 N2 O3	11
L-Prolinamide	L-Prolinamide [ C5 H10 N2 O, overall=86.36, db=86.36, CAS ID=7531-52-4, KEGG ID=C19781, METLIN ID=73355 ]	7531-52-4		L-Prolinamide	+	114.0788	6.7332735	86.36	C19781	(115.0864, 13625.04)(116.0824, 1256.42)(132.1128, 47376.04)(133.1161, 3412.37)	FindByMolecularFeature	C5 H10 N2 O	11
Lys Lys Lys	Lys Lys Lys [ C18 H38 N6 O4, overall=53.24, db=53.24, METLIN ID=18451 ]			Lys Lys Lys	+	419.3229	1.0454545	53.24		(420.3302, 3420.8)(421.3345, 1565.88)	FindByMolecularFeature	C18 H38 N6 O4	11
Mequitazine +3.0796363	Mequitazine [ C20 H22 N2 S, overall=66.96, db=66.96, CAS ID=29216-28-2, KEGG ID=C12755, METLIN ID=69479 ]	29216-28-2		Mequitazine +3.0796363	+	322.1529	3.0796363	66.96	C12755	(345.143, 3593.48)(346.1491, 882.67)(323.1601, 21820.63)(324.1641, 5255.46)(325.1702, 1018.85)	FindByMolecularFeature	C20 H22 N2 S	11
Multifidol	Multifidol [ C11 H14 O4, overall=70.53, db=70.53, CAS ID=125074-06-8, KEGG ID=C10709, METLIN ID=68515 ]	125074-06-8		Multifidol	+	210.0904	1.1763636	70.53	C10709	(233.0797, 1672.03)(211.0974, 5356.68)(212.0997, 1053.03)(228.1258, 904.19)	FindByMolecularFeature	C11 H14 O4	11
O-butanoyl-carnitine	O-butanoyl-carnitine [ C11 H22 N O4, overall=82.16, db=82.16, KEGG ID=C02862, METLIN ID=36666 ]			O-butanoyl-carnitine	+	231.1473	1.7389091	82.16	C02862	(254.136, 1408.77)(232.1546, 8347.18)(233.1581, 1385.27)	FindByMolecularFeature	C11 H22 N O4	11
PE(9:0/9:0)[U]	PE(9:0/9:0)[U] [ C23 H46 N O8 P, overall=77.61, db=77.61, Lipid ID=LMGP02010285, METLIN ID=40682 ]			PE(9:0/9:0)[U]	+	495.2967	6.2147274	77.61		(496.304, 21049.57)(497.3072, 4236.44)	FindByMolecularFeature	C23 H46 N O8 P	11		LMGP02010285
Perindoprilat lactam A	Perindoprilat lactam A [ C17 H26 N2 O4, overall=99.39, db=99.39, CAS ID=129970-99-6, METLIN ID=1800 ]	129970-99-6		Perindoprilat lactam A	+	322.1887	1.5990001	99.39		(345.1791, 3340.2)(346.1808, 1114.33)(323.1967, 34202.68)(324.1999, 6860.34)(325.1989, 904.03)	FindByMolecularFeature	C17 H26 N2 O4	11
Phenyl glucuronide	Phenyl glucuronide [ C12 H14 O7, overall=83.17, db=83.17, CAS ID=17685-05-1, METLIN ID=1825 ]	17685-05-1		Phenyl glucuronide	+	270.0746	1.2568182	83.17		(293.064, 2116.55)(271.0819, 12773.19)(272.0859, 1510.45)(288.1076, 3020.96)(289.111, 1243.08)	FindByMolecularFeature	C12 H14 O7	11
PI(22:1(11Z)/0:0)	PI(22:1(11Z)/0:0) [ C31 H59 O12 P, overall=93.69, db=93.69, Lipid ID=LMGP06050022, METLIN ID=81187 ]			PI(22:1(11Z)/0:0)	+	671.4017	7.1000905	93.69		(672.4088, 26590.32)(673.4122, 8137.48)(674.4142, 943.45)	FindByMolecularFeature	C31 H59 O12 P	11		LMGP06050022
PS(19:0/0:0)	PS(19:0/0:0) [ C25 H50 N O9 P, overall=88.17, db=88.17, Lipid ID=LMGP03050028, METLIN ID=78855 ]			PS(19:0/0:0)	+	539.323	6.443182	88.17		(540.3303, 38491.54)(541.3338, 7708.55)(542.3338, 958.27)	FindByMolecularFeature	C25 H50 N O9 P	11		LMGP03050028
Trichostatin A +6.2479997	Trichostatin A [ C17 H22 N2 O3, overall=74.57, db=74.57, Lipid ID=LMPK01000055, CAS ID=58880-19-6, METLIN ID=46755 ]	58880-19-6		Trichostatin A +6.2479997	+	302.1632	6.2479997	74.57		(303.1704, 10907.14)(304.1732, 2999.32)	FindByMolecularFeature	C17 H22 N2 O3	11		LMPK01000055
Tyr Thr Lys	Tyr Thr Lys [ C19 H30 N4 O6, overall=90.58, db=90.58, METLIN ID=22716 ]			Tyr Thr Lys	+	410.2149	2.907091	90.58		(433.2056, 891.12)(411.2226, 4529.84)(412.226, 863.58)(428.2487, 14975.07)(429.2522, 3114.53)(430.2563, 915.72)	FindByMolecularFeature	C19 H30 N4 O6	11
(-)-Kanshone A	(-)-Kanshone A [ C15 H24 O2, overall=64.63, db=64.63, METLIN ID=53426 ]			(-)-Kanshone A	+	236.1788	1.1384001	64.63		(259.1701, 821.92)(237.1841, 3591.04)(238.1866, 1146.12)(254.2127, 12642.38)(255.2169, 3217.69)(473.3671, 621.0)	FindByMolecularFeature	C15 H24 O2	10
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid	(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid [ C24 H40 O5, overall=97.42, db=97.42, METLIN ID=42694 ]			(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid	+	425.3141	1.6839001	97.42		(426.321, 34550.11)(427.3245, 10549.41)(428.3274, 1811.82)	FindByMolecularFeature	C24 H40 O5	10
1000.2793@1.0093				1000.2793@1.0093	+	1000.2793	1.0093			(1001.287, 23966.43)(1002.2857, 15055.03)(1003.2831, 7135.42)(1004.2821, 3047.14)(1005.2753, 1181.93)	FindByMolecularFeature		10
1056.2844@1.0370001				1056.2844@1.0370001	+	1056.2844	1.0370001			(1079.2758, 669.39)(1057.295, 14675.44)(1058.294, 8515.3)(1059.2933, 4570.42)	FindByMolecularFeature		10
1074.2981@1.0069001				1074.2981@1.0069001	+	1074.2981	1.0069001			(1075.3054, 17648.24)(1076.3037, 11414.14)(1077.3018, 5705.88)(1078.2987, 2755.81)(1079.29, 692.01)	FindByMolecularFeature		10
11(R)-HETE	11(R)-HETE [ C20 H32 O3, overall=71.16, db=71.16, Lipid ID=LMFA03060085, CAS ID=73347-43-0, METLIN ID=36337 ]	73347-43-0		11(R)-HETE	+	320.2347	1.1594	71.16		(663.4532, 919.77)(321.2427, 6600.87)(322.2451, 1877.39)(323.2522, 1090.34)(338.2671, 982.21)	FindByMolecularFeature	C20 H32 O3	10		LMFA03060085
123.0173@7.2527				123.0173@7.2527	+	123.0173	7.2527			(124.0243, 12854.06)(125.0261, 2451.88)	FindByMolecularFeature		10
17-Epiestriol +6.6743994	17-Epiestriol [ C18 H24 O3, overall=74.37, db=74.37, Lipid ID=LMST02010049, CAS ID=1228-72-4, KEGG ID=, METLIN ID=5345, HMP ID=HMDB00356 ]	1228-72-4		17-Epiestriol +6.6743994	+	310.1529	6.6743994	74.37		(311.16, 22164.47)(312.1628, 4124.53)	FindByMolecularFeature	C18 H24 O3	10	HMDB00356	LMST02010049
1-Phenylbiguanide	1-Phenylbiguanide [ C8 H11 N5, overall=75.63, db=75.63, CAS ID=102-02-3, METLIN ID=44226 ]	102-02-3		1-Phenylbiguanide	+	177.1006	1.3675001	75.63		(200.091, 5275.27)(201.1035, 1344.16)(178.1077, 43829.06)(179.12, 4694.46)(180.1025, 1983.53)(372.2375, 687.79)	FindByMolecularFeature	C8 H11 N5	10
2,3-dinor Thromboxane B1	2,3-dinor Thromboxane B1 [ C18 H32 O6, overall=60.62, db=60.62, METLIN ID=44923 ]			2,3-dinor Thromboxane B1	+	361.2464	1.0692999	60.62		(362.2539, 3752.58)(363.2553, 2486.72)(364.2647, 819.79)	FindByMolecularFeature	C18 H32 O6	10
2-Dimethylamino-5,6-dimethylpyrimidin-4-ol +7.501401	2-Dimethylamino-5,6-dimethylpyrimidin-4-ol [ C8 H13 N3 O, overall=89.11, db=89.11, CAS ID=40778-16-3, KEGG ID=C10916, METLIN ID=68685 ]	40778-16-3		2-Dimethylamino-5,6-dimethylpyrimidin-4-ol +7.501401	+	184.1327	7.501401	89.11	C10916	(185.1399, 21486.56)(186.1442, 2712.46)(187.1446, 913.37)	FindByMolecularFeature	C8 H13 N3 O	10
2R-aminoheptanoic acid +6.4694	2R-aminoheptanoic acid [ C7 H15 N O2, overall=99.94, db=99.94, METLIN ID=35932 ]			2R-aminoheptanoic acid +6.4694	+	145.1101	6.4694	99.94		(146.1175, 163003.78)(147.1207, 13729.65)(148.122, 1446.64)	FindByMolecularFeature	C7 H15 N O2	10
3alpha,7alpha,12alpha-trihydroxy-27a,27b-dihomo-5beta-cholestane-26,27b-dioic acid	3alpha,7alpha,12alpha-trihydroxy-27a,27b-dihomo-5beta-cholestane-26,27b-dioic acid [ C29 H48 O7, overall=36.79, db=36.79, Lipid ID=LMST04080001, METLIN ID=84919 ]			3alpha,7alpha,12alpha-trihydroxy-27a,27b-dihomo-5beta-cholestane-26,27b-dioic acid	+	530.3179	6.3043	36.79		(531.3247, 9575.33)(532.3284, 1574.21)	FindByMolecularFeature	C29 H48 O7	10		LMST04080001
3-Buten-1-amine +5.4347005	3-Buten-1-amine [ C4 H9 N, overall=84.55, db=84.55, KEGG ID=C12244, METLIN ID=69390 ]			3-Buten-1-amine +5.4347005	+	71.0733	5.4347005	84.55	C12244	(72.0806, 12257.82)(73.0838, 946.87)	FindByMolecularFeature	C4 H9 N	10
3-hydroxy-dodecanedioic acid +1.1628001	3-hydroxy-dodecanedioic acid [ C12 H22 O5, overall=65.98, db=65.98, Lipid ID=LMFA01170089, METLIN ID=74935, HMP ID=HMDB00413 ]			3-hydroxy-dodecanedioic acid +1.1628001	+	246.1476	1.1628001	65.98		(269.1393, 1334.55)(247.1547, 8874.66)(248.1582, 2035.05)(249.1527, 1329.47)	FindByMolecularFeature	C12 H22 O5	10	HMDB00413	LMFA01170089
3-Hydroxyisovalerylcarnitine +1.3431001	3-Hydroxyisovalerylcarnitine [ C12 H24 N O5, overall=55.95, db=55.95, CAS ID=, METLIN ID=6505, HMP ID=HMDB02138 ]			3-Hydroxyisovalerylcarnitine +1.3431001	+	239.1749	1.3431001	55.95		(262.165, 4838.01)(263.1667, 1997.99)(240.1805, 2103.07)	FindByMolecularFeature	C12 H24 N O5	10	HMDB02138
3-Methylorsellinic Acid	3-Methylorsellinic Acid [ C9 H10 O4, overall=77.87, db=77.87, CAS ID=4707-46-4, METLIN ID=43818 ]	4707-46-4		3-Methylorsellinic Acid	+	199.0855	6.4679003	77.87		(200.0922, 17156.32)(201.0977, 1993.09)	FindByMolecularFeature	C9 H10 O4	10
4-(Trimethylammonio)but-2-enoate +6.1977997	4-(Trimethylammonio)but-2-enoate [ C7 H14 N O2, overall=81.04, db=81.04, KEGG ID=C04114, METLIN ID=66118 ]			4-(Trimethylammonio)but-2-enoate +6.1977997	+	143.0949	6.1977997	81.04	C04114	(166.0866, 1583.22)(144.1022, 12988.18)(145.1046, 1248.03)(146.0912, 667.52)	FindByMolecularFeature	C7 H14 N O2	10
423.3561@1.2616999				423.3561@1.2616999	+	423.3561	1.2616999			(424.3645, 1851.35)(425.3679, 1173.86)(426.3547, 762.66)	FindByMolecularFeature		10
487.351@1.2615999				487.351@1.2615999	+	487.351	1.2615999			(488.3583, 686.21)(489.3556, 874.52)(490.3628, 639.33)	FindByMolecularFeature		10
4-Aminomethylindole	4-Aminomethylindole [ C9 H9 N2, overall=81.01, db=81.01, CAS ID=3468-18-6, METLIN ID=44973 ]	3468-18-6		4-Aminomethylindole	+	167.0587	1.9605001	81.01		(168.0662, 12019.09)(169.0692, 1819.41)	FindByMolecularFeature	C9 H9 N2	10
4-Dimethylamino-L-phenylalanine	4-Dimethylamino-L-phenylalanine [ C11 H16 N2 O2, overall=96.33, db=96.33, KEGG ID=C18619, METLIN ID=72414 ]			4-Dimethylamino-L-phenylalanine	+	225.148	6.6341004	96.33	C18619	(226.1553, 80587.09)(227.1591, 12123.15)(228.1608, 2192.15)	FindByMolecularFeature	C11 H16 N2 O2	10
4-Hydroxy-2-quinolone +1.6017001	4-Hydroxy-2-quinolone [ C9 H7 N O2, overall=83.29, db=83.29, CAS ID=86-95-3, KEGG ID=C16716, METLIN ID=71293 ]	86-95-3		4-Hydroxy-2-quinolone +1.6017001	+	161.048	1.6017001	83.29	C16716	(162.0552, 10475.0)(163.0592, 1353.19)(179.0801, 779.25)	FindByMolecularFeature	C9 H7 N O2	10
4-Hydroxylevamisole Glucuronide	4-Hydroxylevamisole Glucuronide [ C17 H20 N2 O7 S, overall=55.78, db=55.78, CAS ID=90032-40-9, METLIN ID=728 ]	90032-40-9		4-Hydroxylevamisole Glucuronide	+	418.0795	0.7152	55.78		(419.0868, 5265.91)(420.0914, 1908.79)	FindByMolecularFeature	C17 H20 N2 O7 S	10
4-PIOL	4-PIOL [ C8 H12 N2 O2, overall=69.17, db=69.17, CAS ID=132033-91-1, KEGG ID=C13710, METLIN ID=69651 ]	132033-91-1		4-PIOL	+	168.09	1.9552	69.17	C13710	(169.0972, 18378.25)(170.1044, 1340.21)(171.1045, 1641.97)	FindByMolecularFeature	C8 H12 N2 O2	10
561.8378@6.5539002				561.8378@6.5539002	+	561.8378	6.5539002			(562.8452, 26033.76)(563.8473, 2995.15)	FindByMolecularFeature		10
7-Tridecenoic acid; C13:1n-6	7-Tridecenoic acid; C13:1n-6 [ C13 H24 O2, overall=47.44, db=47.44, Lipid ID=LMFA01030595, METLIN ID=74252 ]			7-Tridecenoic acid; C13:1n-6	+	212.178	1.2373002	47.44		(235.1686, 1482.55)(447.3461, 1331.21)(213.1851, 3995.69)(425.3663, 692.69)	FindByMolecularFeature	C13 H24 O2	10		LMFA01030595
8-Azaspiro[4.5]decane-8-butanoic acid, 7,9-dioxo(buspirone metabolite)	8-Azaspiro[4.5]decane-8-butanoic acid, 7,9-dioxo(buspirone metabolite) [ C13 H19 N O4, overall=97.04, db=97.04, CAS ID=105920-65-8, METLIN ID=1452 ]	105920-65-8		8-Azaspiro[4.5]decane-8-butanoic acid, 7,9-dioxo(buspirone metabolite)	+	270.158	6.3569	97.04		(271.1654, 14948.85)(272.1691, 2040.84)(273.1687, 541.32)	FindByMolecularFeature	C13 H19 N O4	10
Ala Asn Asn	Ala Asn Asn [ C11 H19 N5 O6, overall=58.90, db=58.90, METLIN ID=23271 ]			Ala Asn Asn	+	334.1604	1.5733001	58.9		(335.1687, 3184.7)(336.1728, 957.98)(337.1678, 765.37)	FindByMolecularFeature	C11 H19 N5 O6	10
Allopumiliotoxin 267A	Allopumiliotoxin 267A [ C16 H29 N O2, overall=58.70, db=58.70, CAS ID=73376-38-2, KEGG ID=C20034, METLIN ID=73519 ]	73376-38-2		Allopumiliotoxin 267A	+	267.2194	1.2371001	58.7	C20034	(268.2274, 3688.39)(269.2193, 866.83)	FindByMolecularFeature	C16 H29 N O2	10
alpha,4,2'-Trihydroxy-4-O-geranyldihydrochalcone	alpha,4,2'-Trihydroxy-4-O-geranyldihydrochalcone [ C24 H28 O5, overall=65.59, db=65.59, Lipid ID=LMPK12120572, METLIN ID=52374 ]			alpha,4,2'-Trihydroxy-4-O-geranyldihydrochalcone	+	396.1945	1.1141	65.59		(397.2017, 2977.01)(398.2039, 1153.11)	FindByMolecularFeature	C24 H28 O5	10		LMPK12120572
Ammodendrine +7.22	Ammodendrine [ C12 H20 N2 O, overall=77.06, db=77.06, CAS ID=494-15-5, KEGG ID=C10125, METLIN ID=68134 ]	494-15-5		Ammodendrine +7.22	+	230.1382	7.22	77.06	C10125	(231.1453, 29572.21)(232.1494, 3633.22)	FindByMolecularFeature	C12 H20 N2 O	10
b-D-Glucopyranosiduronic acid, 6-(3-oxobutyl)-2-naphthalenyl +1.6074	b-D-Glucopyranosiduronic acid, 6-(3-oxobutyl)-2-naphthalenyl [ C20 H22 O8, overall=65.40, db=65.40, CAS ID=91488-19-6, METLIN ID=1377 ]	91488-19-6		b-D-Glucopyranosiduronic acid, 6-(3-oxobutyl)-2-naphthalenyl +1.6074	+	407.1581	1.6074	65.4		(408.1647, 6990.56)(409.1726, 2066.47)	FindByMolecularFeature	C20 H22 O8	10
Benzyloxyphenylisoserine Methylester	Benzyloxyphenylisoserine Methylester [ C17 H17 N O4, overall=69.22, db=69.22, CAS ID=32981-85-4, METLIN ID=73564 ]	32981-85-4		Benzyloxyphenylisoserine Methylester	+	316.1427	1.2111001	69.22		(317.1501, 6795.41)(318.153, 2043.27)	FindByMolecularFeature	C17 H17 N O4	10
C10 H21 N O4	[ C10 H21 N O4, overall=32.88, db=0.00, mfg=65.76 ]			C10 H21 N O4	+	219.1471	1.5481	32.88		(242.1375, 976.89)(220.1543, 4812.92)(221.1567, 1113.32)	FindByMolecularFeature	C10 H21 N O4	10
C11 H19 N5 O3	[ C11 H19 N5 O3, overall=31.62, db=0.00, mfg=63.23 ]			C11 H19 N5 O3	+	269.1477	6.0642	31.62		(292.1399, 843.0)(270.155, 5613.39)(271.159, 1425.26)	FindByMolecularFeature	C11 H19 N5 O3	10
C16 H22 N2 O4 +3.5173001	[ C16 H22 N2 O4, overall=42.09, db=0.00, mfg=84.18 ]			C16 H22 N2 O4 +3.5173001	+	306.1583	3.5173001	42.09		(329.1468, 1765.07)(635.3071, 938.89)(307.1654, 6782.44)(308.1685, 1416.57)	FindByMolecularFeature	C16 H22 N2 O4	10
C17 H31 N5	[ C17 H31 N5, overall=41.10, db=0.00, mfg=82.21 ]			C17 H31 N5	+	305.2571	1.2061001	41.1		(328.244, 631.94)(306.2647, 7345.95)(307.2663, 1613.09)	FindByMolecularFeature	C17 H31 N5	10
C17 H43 N16 O7 +6.7519007	[ C17 H43 N16 O7, overall=48.06, db=0.00, mfg=96.12 ]			C17 H43 N16 O7 +6.7519007	+	583.3493	6.7519007	48.06		(584.3567, 57894.84)(585.3596, 12413.96)(586.3628, 1434.49)	FindByMolecularFeature	C17 H43 N16 O7	10
C19 H41 N6 O8	[ C19 H41 N6 O8, overall=43.23, db=0.00, mfg=86.45 ]			C19 H41 N6 O8	+	481.2992	6.3157005	43.23		(482.3069, 184453.05)(483.3098, 29571.3)(484.3128, 1700.56)	FindByMolecularFeature	C19 H41 N6 O8	10
C21 H2 N2 O21 S +7.0801	[ C21 H2 N2 O21 S, overall=31.24, db=0.00, mfg=62.49 ]			C21 H2 N2 O21 S +7.0801	+	649.8902	7.0801	31.24		(650.8975, 37070.72)(651.9008, 4104.75)(652.8912, 728.02)	FindByMolecularFeature	C21 H2 N2 O21 S	10
C21 H51 N21 O4 S	[ C21 H51 N21 O4 S, overall=43.41, db=0.00, mfg=86.82 ]			C21 H51 N21 O4 S	+	693.4148	7.1966004	43.41		(694.422, 19271.32)(695.4249, 4563.12)(696.4273, 895.72)	FindByMolecularFeature	C21 H51 N21 O4 S	10
C22 H11 N10 O2	[ C22 H11 N10 O2, overall=34.82, db=0.00, mfg=69.64 ]			C22 H11 N10 O2	+	447.1089	1.0472	34.82		(448.1157, 4798.15)(449.1127, 1546.52)	FindByMolecularFeature	C22 H11 N10 O2	10
C22 H43 N4 O	[ C22 H43 N4 O, overall=23.37, db=0.00, mfg=46.74 ]			C22 H43 N4 O	+	379.3442	1.1019001	23.37		(402.3327, 1254.27)(403.329, 1178.65)(380.3504, 1603.66)	FindByMolecularFeature	C22 H43 N4 O	10
C24 H41 N8 O	[ C24 H41 N8 O, overall=45.19, db=0.00, mfg=90.39 ]			C24 H41 N8 O	+	457.3397	1.2327999	45.19		(458.3474, 9012.38)(459.3504, 3144.36)(460.3528, 997.42)	FindByMolecularFeature	C24 H41 N8 O	10
C25 H49 Cl N O5	[ C25 H49 Cl N O5, overall=37.97, db=0.00, mfg=75.94 ]			C25 H49 Cl N O5	+	478.3292	1.3427	37.97		(501.3217, 1188.93)(479.3361, 3165.82)(480.3423, 970.79)(481.3344, 1462.6)(496.364, 548.91)	FindByMolecularFeature	C25 H49 Cl N O5	10
C25 H52 O S2	[ C25 H52 O S2, overall=35.78, db=0.00, mfg=71.56 ]			C25 H52 O S2	+	432.3447	1.2335	35.78		(455.3343, 1541.38)(456.3333, 898.19)(433.3514, 1403.76)(450.379, 4125.79)(451.3822, 1199.3)(452.3908, 973.59)	FindByMolecularFeature	C25 H52 O S2	10
C27 H53 N8 O10 +7.0788994	[ C27 H53 N8 O10, overall=46.53, db=0.00, mfg=93.05 ]			C27 H53 N8 O10 +7.0788994	+	649.3886	7.0788994	46.53		(650.396, 57258.32)(651.399, 16113.04)(652.403, 1408.88)	FindByMolecularFeature	C27 H53 N8 O10	10
C32 H24 N9 O S2	[ C32 H24 N9 O S2, overall=43.63, db=0.00, mfg=87.25 ]			C32 H24 N9 O S2	+	614.156	1.0275999	43.63		(615.1637, 34368.08)(616.1613, 14146.77)(617.1619, 4657.54)(618.1581, 933.36)	FindByMolecularFeature	C32 H24 N9 O S2	10
C32 H44 N4 O4 +4.4172	[ C32 H44 N4 O4, overall=46.89, db=0.00, mfg=93.78 ]			C32 H44 N4 O4 +4.4172	+	548.3357	4.4172	46.89		(549.3432, 10114.96)(550.3467, 4264.56)(551.3515, 1110.31)	FindByMolecularFeature	C32 H44 N4 O4	10
C33 H50 N27 O3	[ C33 H50 N27 O3, overall=32.00, db=0.00, mfg=64.00 ]			C33 H50 N27 O3	+	872.4583	5.6989007	32		(873.4651, 3006.9)(874.4684, 1680.48)	FindByMolecularFeature	C33 H50 N27 O3	10
C36 H57 N29 O	[ C36 H57 N29 O, overall=34.12, db=0.00, mfg=68.24 ]			C36 H57 N29 O	+	911.5297	5.8478994	34.12		(912.537, 3001.99)(913.5404, 1447.54)	FindByMolecularFeature	C36 H57 N29 O	10
C6 H12 O3 S	[ C6 H12 O3 S, overall=48.73, db=0.00, mfg=97.45 ]			C6 H12 O3 S	+	164.0512	2.8215	48.73		(187.0409, 2423.8)(165.0585, 31121.45)(166.062, 2671.11)(167.0552, 1487.87)	FindByMolecularFeature	C6 H12 O3 S	10
C8 H16 O2 S	[ C8 H16 O2 S, overall=23.65, db=0.00, mfg=47.31 ]			C8 H16 O2 S	+	176.0868	1.5718	23.65		(177.0939, 3077.01)(370.2045, 2164.28)(353.1818, 1432.3)	FindByMolecularFeature	C8 H16 O2 S	10
DIBOA	DIBOA [ C8 H7 N O4, overall=82.37, db=82.37, CAS ID=17359-54-5, KEGG ID=C15770, METLIN ID=64531 ]	17359-54-5		DIBOA	+	181.0381	1.6303002	82.37	C15770	(182.0452, 4510.87)(183.0492, 759.04)(199.0717, 13464.58)(200.0765, 1713.59)(201.0738, 871.79)	FindByMolecularFeature	C8 H7 N O4	10
Dihydroxycarteolol M2 +3.3627002	Dihydroxycarteolol M2 [ C16 H24 N2 O5, overall=83.63, db=83.63, CAS ID=, METLIN ID=1556 ]			Dihydroxycarteolol M2 +3.3627002	+	324.1684	3.3627002	83.63		(347.1575, 2908.58)(348.1602, 680.88)(325.1758, 7684.27)(326.1792, 1616.13)	FindByMolecularFeature	C16 H24 N2 O5	10
Dihydroxycarteolol M2 +6.4651003	Dihydroxycarteolol M2 [ C16 H24 N2 O5, overall=97.48, db=97.48, CAS ID=, METLIN ID=1556 ]			Dihydroxycarteolol M2 +6.4651003	+	324.1684	6.4651003	97.48		(325.1756, 90883.92)(326.1787, 18247.23)(327.1859, 3394.91)(328.1937, 714.49)	FindByMolecularFeature	C16 H24 N2 O5	10
Dihydroxymelphalan	Dihydroxymelphalan [ C13 H20 N2 O4, overall=96.20, db=96.20, CAS ID=72143-20-5, METLIN ID=1126 ]	72143-20-5		Dihydroxymelphalan	+	268.1425	6.8387003	96.2		(269.1498, 57026.16)(270.1528, 10516.48)(271.1591, 1538.61)	FindByMolecularFeature	C13 H20 N2 O4	10
Dimethylaminoethyl reserpilinate +1.4954	Dimethylaminoethyl reserpilinate [ C26 H35 N3 O5, overall=99.31, db=99.31, CAS ID=3735-84-0, KEGG ID=C13441, METLIN ID=69577 ]	3735-84-0		Dimethylaminoethyl reserpilinate +1.4954	+	469.2573	1.4954	99.31	C13441	(470.2646, 27510.81)(471.268, 8128.25)(472.272, 1605.89)	FindByMolecularFeature	C26 H35 N3 O5	10
Ethambutol aldehyde	Ethambutol aldehyde [ C10 H20 N2 O2, overall=99.30, db=99.30, CAS ID=502-25-0, METLIN ID=2588 ]	502-25-0		Ethambutol aldehyde	+	200.1528	2.2171998	99.3		(201.1601, 60245.36)(202.1629, 7152.37)(203.1655, 923.19)	FindByMolecularFeature	C10 H20 N2 O2	10
Gabapentin	Gabapentin [ C9 H17 N O2, overall=79.35, db=79.35, CAS ID=60142-96-3, KEGG ID=C07018, METLIN ID=2989, HMP ID=HMDB05015 ]	60142-96-3		Gabapentin	+	171.1263	1.1696999	79.35	C07018	(172.1336, 23623.37)(173.1359, 3567.25)	FindByMolecularFeature	C9 H17 N O2	10	HMDB05015
Gliquidone +1.6873001	Gliquidone [ C27 H33 N3 O6 S, overall=86.54, db=86.54, CAS ID=33342-05-1, METLIN ID=3123 ]	33342-05-1		Gliquidone +1.6873001	+	544.2366	1.6873001	86.54		(545.2437, 14201.01)(546.2462, 5673.12)(547.2483, 1760.99)	FindByMolecularFeature	C27 H33 N3 O6 S	10
Hexanoylglycine	Hexanoylglycine [ C8 H15 N O3, overall=53.13, db=53.13, CAS ID=24003-67-6, METLIN ID=5669, HMP ID=HMDB00701 ]	24003-67-6		Hexanoylglycine	+	173.1054	1.6667999	53.13		(174.1127, 6187.33)(175.1124, 979.16)(176.1115, 869.13)(191.1378, 697.01)	FindByMolecularFeature	C8 H15 N O3	10	HMDB00701
Hypericin	Hypericin [ C30 H16 O8, overall=37.13, db=37.13, Lipid ID=LMPK13040001, KEGG ID=C07606, METLIN ID=41034 ]			Hypericin	+	504.0801	1.0536	37.13	C07606	(505.0899, 5092.11)(506.0918, 2287.9)(507.087, 1807.85)	FindByMolecularFeature	C30 H16 O8	10		LMPK13040001
Isobutyrylglycine	Isobutyrylglycine [ C6 H11 N O3, overall=75.45, db=75.45, CAS ID=15926-18-8, METLIN ID=5698, HMP ID=HMDB00730 ]	15926-18-8		Isobutyrylglycine	+	145.0739	2.1017	75.45		(146.0811, 10813.68)(147.0847, 838.04)(148.0752, 776.53)	FindByMolecularFeature	C6 H11 N O3	10	HMDB00730
Isonicotineamide	Isonicotineamide [ C6 H6 N2 O, overall=87.31, db=87.31, CAS ID=1453-82-3, KEGG ID=C02421, METLIN ID=65768 ]	1453-82-3		Isonicotineamide	+	122.0478	6.2707	87.31	C02421	(123.0551, 129604.38)(124.0585, 9137.08)	FindByMolecularFeature	C6 H6 N2 O	10
Istamycin AO	Istamycin AO [ C13 H27 N3 O7, overall=73.99, db=73.99, KEGG ID=C17982, METLIN ID=71978 ]			Istamycin AO	+	354.213	5.0884004	73.99	C17982	(355.2202, 23312.79)(356.2231, 2591.46)	FindByMolecularFeature	C13 H27 N3 O7	10
Juvabione +6.4171996	Juvabione [ C16 H26 O3, overall=78.65, db=78.65, CAS ID=17904-27-7, KEGG ID=C09693, METLIN ID=67888 ]	17904-27-7		Juvabione +6.4171996	+	288.1687	6.4171996	78.65	C09693	(289.176, 15731.11)(290.1799, 2420.85)	FindByMolecularFeature	C16 H26 O3	10
L-4-Hydroxy-3-methoxy-a-methylphenylalanine +6.613	L-4-Hydroxy-3-methoxy-a-methylphenylalanine [ C11 H15 N O4, overall=98.95, db=98.95, CAS ID=6739-31-7, METLIN ID=1219 ]	6739-31-7		L-4-Hydroxy-3-methoxy-a-methylphenylalanine +6.613	+	225.1004	6.613	98.95		(226.1078, 90434.55)(227.1113, 11561.06)(228.1127, 1685.36)	FindByMolecularFeature	C11 H15 N O4	10
L-isoleucyl-L-proline +8.3212	L-isoleucyl-L-proline [ C11 H20 N2 O3, overall=98.69, db=98.69, METLIN ID=62022, HMP ID=HMDB11174 ]			L-isoleucyl-L-proline +8.3212	+	228.1479	8.3212	98.69		(229.1552, 477972.75)(230.1582, 64509.69)(231.1608, 7265.79)(232.163, 838.98)	FindByMolecularFeature	C11 H20 N2 O3	10	HMDB11174
Lyngbyatoxin	Lyngbyatoxin [ C27 H39 N3 O2, overall=74.96, db=74.96, CAS ID=70497-14-2, KEGG ID=C15720, METLIN ID=71051 ]	70497-14-2		Lyngbyatoxin	+	459.2864	6.2002	74.96	C15720	(460.2937, 211352.75)(461.2965, 30013.51)(462.2989, 1579.85)	FindByMolecularFeature	C27 H39 N3 O2	10
Lys Thr Tyr	Lys Thr Tyr [ C19 H30 N4 O6, overall=73.58, db=73.58, METLIN ID=17627 ]			Lys Thr Tyr	+	427.2416	3.1305	73.58		(428.2489, 7089.26)(429.252, 1978.26)	FindByMolecularFeature	C19 H30 N4 O6	10
Melibiose	Melibiose [ C12 H22 O11, overall=78.79, db=78.79, CAS ID=585-99-9, KEGG ID=C05402, METLIN ID=3478, HMP ID=HMDB00048 ]	585-99-9		Melibiose	+	364.0983	6.0593	78.79	C05402	(365.1044, 8428.69)(366.1099, 1157.04)	FindByMolecularFeature	C12 H22 O11	10	HMDB00048
Methyldopexamine sulfate +1.4518001	Methyldopexamine sulfate [ C23 H34 N2 O5 S, overall=75.59, db=75.59, CAS ID=, METLIN ID=2392 ]			Methyldopexamine sulfate +1.4518001	+	467.2418	1.4518001	75.59		(468.2491, 34423.18)(469.2526, 10203.26)(470.2627, 3974.13)	FindByMolecularFeature	C23 H34 N2 O5 S	10
MG(0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	MG(0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) [ C23 H36 O4, overall=83.06, db=83.06, METLIN ID=62333, HMP ID=HMDB11550 ]			MG(0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	+	398.2431	1.124	83.06		(399.2507, 15937.18)(400.2548, 3931.72)	FindByMolecularFeature	C23 H36 O4	10	HMDB11550
N(alpha)-Benzyloxycarbonyl-L-leucine	N(alpha)-Benzyloxycarbonyl-L-leucine [ C14 H19 N O4, overall=85.49, db=85.49, CAS ID=2018-66-8, KEGG ID=C04335, METLIN ID=66165 ]	2018-66-8		N(alpha)-Benzyloxycarbonyl-L-leucine	+	282.1582	6.7297006	85.49	C04335	(283.1655, 54642.45)(284.1685, 9694.39)(285.1573, 3146.04)(286.1531, 302.84)	FindByMolecularFeature	C14 H19 N O4	10
N-decanoyl-L-Homoserine lactone	N-decanoyl-L-Homoserine lactone [ C14 H25 N O3, overall=82.64, db=82.64, CAS ID=177315-87-6, METLIN ID=45310 ]	177315-87-6		N-decanoyl-L-Homoserine lactone	+	255.1829	5.5036	82.64		(256.1908, 9297.71)(257.1927, 1683.41)	FindByMolecularFeature	C14 H25 N O3	10
N-palmitoyl tyrosine	N-palmitoyl tyrosine [ C25 H41 N O4, overall=79.27, db=79.27, Lipid ID=LMFA08020098, METLIN ID=75480 ]			N-palmitoyl tyrosine	+	419.306	1.1794001	79.27		(420.3132, 13918.65)(421.3164, 3481.24)(422.3163, 1270.29)	FindByMolecularFeature	C25 H41 N O4	10		LMFA08020098
Pederin	Pederin [ C25 H45 N O9, overall=66.28, db=66.28, CAS ID=27973-72-4, KEGG ID=C15760, METLIN ID=71091 ]	27973-72-4		Pederin	+	503.3127	6.4322	66.28	C15760	(504.32, 144371.72)(505.323, 25606.17)(506.3255, 1572.32)	FindByMolecularFeature	C25 H45 N O9	10
Phencyclidine	Phencyclidine [ C17 H25 N, overall=82.95, db=82.95, CAS ID=77-10-1, KEGG ID=C07575, METLIN ID=66688 ]	77-10-1		Phencyclidine	+	243.1989	3.0248	82.95	C07575	(244.2059, 7857.87)(245.2104, 1692.29)	FindByMolecularFeature	C17 H25 N	10
Piperidione +1.1708	Piperidione [ C9 H15 N O2, overall=63.51, db=63.51, CAS ID=77-03-2, KEGG ID=C17730, METLIN ID=71886 ]	77-03-2		Piperidione +1.1708	+	169.1106	1.1708	63.51	C17730	(192.1024, 893.23)(170.1179, 17995.66)(171.1286, 2688.09)	FindByMolecularFeature	C9 H15 N O2	10
p-Lactophenetide	p-Lactophenetide [ C11 H15 N O3, overall=63.02, db=63.02, CAS ID=539-08-2, KEGG ID=C14262, METLIN ID=69921 ]	539-08-2		p-Lactophenetide	+	209.1056	1.5072	63.02	C14262	(210.1128, 10840.73)(211.1233, 1886.13)(227.1385, 1186.78)	FindByMolecularFeature	C11 H15 N O3	10
p-Lactophenetide +6.3553	p-Lactophenetide [ C11 H15 N O3, overall=94.82, db=94.82, CAS ID=539-08-2, KEGG ID=C14262, METLIN ID=69921 ]	539-08-2		p-Lactophenetide +6.3553	+	209.1056	6.3553	94.82	C14262	(210.113, 22686.19)(211.1167, 3054.41)(212.1211, 820.62)(227.1391, 2316.78)	FindByMolecularFeature	C11 H15 N O3	10
Pro Ser Gly	Pro Ser Gly [ C10 H17 N3 O5, overall=97.84, db=97.84, METLIN ID=17780 ]			Pro Ser Gly	+	259.1171	6.2986	97.84		(260.1243, 37628.54)(261.1281, 4979.26)(262.13, 860.71)	FindByMolecularFeature	C10 H17 N3 O5	10
Promecarb	Promecarb [ C12 H17 N O2, overall=78.29, db=78.29, CAS ID=2631-37-0, KEGG ID=C18956, METLIN ID=72716 ]	2631-37-0		Promecarb	+	207.1257	6.3100996	78.29	C18956	(230.1141, 4398.76)(231.1224, 1083.5)(208.1339, 9805.05)(209.1367, 1850.57)	FindByMolecularFeature	C12 H17 N O2	10
S-2-Octenoyl CoA	S-2-Octenoyl CoA [ C29 H48 N7 O17 P3 S, overall=56.27, db=56.27, CAS ID=71629-68-0, METLIN ID=58140, HMP ID=HMDB02992 ]	71629-68-0		S-2-Octenoyl CoA	+	908.2494	1.0182	56.27		(909.2428, 15200.26)(910.2378, 13584.62)(911.2372, 8271.12)	FindByMolecularFeature	C29 H48 N7 O17 P3 S	10	HMDB02992
Trimethylolpropane triacrylate	Trimethylolpropane triacrylate [ C15 H20 O6, overall=60.41, db=60.41, CAS ID=15625-89-5, KEGG ID=C14537, METLIN ID=70137 ]	15625-89-5		Trimethylolpropane triacrylate	+	296.1268	1.1291001	60.41	C14537	(297.1335, 4129.01)(298.1399, 1106.48)	FindByMolecularFeature	C15 H20 O6	10
Tyr Leu	Tyr Leu [ C15 H22 N2 O4, overall=86.19, db=86.19, METLIN ID=24037 ]			Tyr Leu	+	294.1578	6.5336	86.19		(295.1651, 67839.38)(296.1685, 11757.01)	FindByMolecularFeature	C15 H22 N2 O4	10
Val Asp Gly	Val Asp Gly [ C11 H19 N3 O6, overall=98.75, db=98.75, METLIN ID=18123 ]			Val Asp Gly	+	289.1276	6.6404	98.75		(290.1345, 28464.51)(291.1376, 3798.77)(292.1413, 1020.99)(307.1655, 756.01)	FindByMolecularFeature	C11 H19 N3 O6	10
Val Tyr His	Val Tyr His [ C20 H27 N5 O5, overall=28.33, db=28.33, METLIN ID=17347 ]			Val Tyr His	+	417.2049	1.3230002	28.33		(418.2122, 6863.41)(419.2191, 2394.96)(435.2373, 623.57)	FindByMolecularFeature	C20 H27 N5 O5	10
Volicitin	Volicitin [ C23 H38 N2 O5, overall=33.75, db=33.75, KEGG ID=C16345, METLIN ID=71177 ]			Volicitin	+	439.3043	6.063899	33.75	C16345	(440.3116, 2104.87)(441.308, 1271.45)	FindByMolecularFeature	C23 H38 N2 O5	10
VPGPR Enterostatin	VPGPR Enterostatin [ C23 H40 N8 O6, overall=39.04, db=39.04, CAS ID=144964-56-7, METLIN ID=58161, HMP ID=HMDB03577 ]	144964-56-7		VPGPR Enterostatin	+	541.3293	7.7661004	39.04		(542.3366, 14159.86)(543.3397, 1947.4)	FindByMolecularFeature	C23 H40 N8 O6	10	HMDB03577
W123 +1.3951	W123 [ C17 H26 N2 O3, overall=91.57, db=91.57, METLIN ID=64710 ]			W123 +1.3951	+	306.1946	1.3951	91.57		(329.1848, 4361.43)(330.1867, 1398.07)(635.378, 1799.93)(307.2022, 301279.28)(308.205, 60852.84)(309.2193, 9591.85)(310.2239, 1667.86)(613.3954, 4844.91)(614.3984, 1610.38)	FindByMolecularFeature	C17 H26 N2 O3	10
(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid	(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, overall=48.64, db=48.64, Lipid ID=LMFA02010014, METLIN ID=74959 ]			(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid	+	268.2021	1.1097779	48.64		(291.1947, 1343.09)(269.2094, 4672.7)(270.2106, 926.24)(271.214, 1171.51)(286.237, 1479.4)(287.2296, 578.12)	FindByMolecularFeature	C16 H28 O3	9		LMFA02010014
(3-Phenylpropionyl)glycine methyl ester	(3-Phenylpropionyl)glycine methyl ester [ C12 H15 N O3, overall=69.62, db=69.62, METLIN ID=6387, HMP ID=HMDB01911 ]			(3-Phenylpropionyl)glycine methyl ester	+	221.1057	6.639889	69.62		(222.113, 4669.32)(223.1157, 852.23)(224.1173, 1301.94)	FindByMolecularFeature	C12 H15 N O3	9	HMDB01911
(S)-ATPA	(S)-ATPA [ C10 H16 N2 O4, overall=75.45, db=75.45, KEGG ID=C13733, METLIN ID=69667 ]			(S)-ATPA	+	228.1112	3.1354444	75.45	C13733	(229.1184, 9799.22)(230.1189, 1566.44)	FindByMolecularFeature	C10 H16 N2 O4	9
?-PHENYL-gamma-Aminobutyric Acid +1.4653333	?-PHENYL-gamma-Aminobutyric Acid [ C10 H13 N O2, overall=85.81, db=85.81, CAS ID=1078-21-3, METLIN ID=73557 ]	1078-21-3		?-PHENYL-gamma-Aminobutyric Acid +1.4653333	+	179.0951	1.4653333	85.81		(180.1024, 61735.56)(181.106, 7203.25)	FindByMolecularFeature	C10 H13 N O2	9
1,1,2-Triphenylpropane	1,1,2-Triphenylpropane [ C21 H20, overall=72.10, db=72.10, CAS ID=94871-36-0, KEGG ID=C14278, METLIN ID=69935 ]	94871-36-0		1,1,2-Triphenylpropane	+	294.1379	1.2658888	72.1	C14278	(295.1451, 8248.08)(296.1478, 2570.99)	FindByMolecularFeature	C21 H20	9
1054.2894@1.0408889				1054.2894@1.0408889	+	1054.2894	1.0408889			(1055.2959, 5845.77)(1056.2946, 6257.63)(1057.2943, 3890.06)	FindByMolecularFeature		9
17beta-Hydroxy-7alpha-methylandrost-4-en-3-one +1.1287777	17beta-Hydroxy-7alpha-methylandrost-4-en-3-one [ C20 H30 O2, overall=84.90, db=84.90, CAS ID=7642-58-2, KEGG ID=C14588, METLIN ID=70183 ]	7642-58-2		17beta-Hydroxy-7alpha-methylandrost-4-en-3-one +1.1287777	+	302.2245	1.1287777	84.9	C14588	(303.232, 10313.6)(304.2359, 2338.03)	FindByMolecularFeature	C20 H30 O2	9
2,4,7-tridecatrienal	2,4,7-tridecatrienal [ C13 H20 O, overall=70.19, db=70.19, Lipid ID=LMFA06000076, METLIN ID=75353 ]			2,4,7-tridecatrienal	+	192.1516	1.2383333	70.19		(407.287, 1246.53)(193.1587, 4896.95)(194.1607, 1116.8)(210.1833, 796.68)	FindByMolecularFeature	C13 H20 O	9		LMFA06000076
2,5-Xylidine	2,5-Xylidine [ C8 H11 N, overall=83.19, db=83.19, CAS ID=95-78-3, KEGG ID=C18993, METLIN ID=72749 ]	95-78-3		2,5-Xylidine	+	121.0889	5.0237784	83.19	C18993	(122.0962, 23634.19)(123.0988, 2393.9)(124.0871, 795.28)	FindByMolecularFeature	C8 H11 N	9
241.2594@6.428889				241.2594@6.428889	+	241.2594	6.428889			(242.2668, 5288.09)(243.2675, 577.99)(483.5247, 969.11)	FindByMolecularFeature		9
2-Amino-2-methyl-1-propanol +1.5301111	2-Amino-2-methyl-1-propanol [ C4 H11 N O, overall=83.28, db=83.28, CAS ID=124-68-5, METLIN ID=4136 ]	124-68-5		2-Amino-2-methyl-1-propanol +1.5301111	+	89.0842	1.5301111	83.28		(90.0915, 15861.43)(91.0948, 1314.7)	FindByMolecularFeature	C4 H11 N O	9
2-Ethyl-2-methyl-3-hydroxysuccinimide	2-Ethyl-2-methyl-3-hydroxysuccinimide [ C7 H11 N O3, overall=80.20, db=80.20, CAS ID=51822-59-4, METLIN ID=2596 ]	51822-59-4		2-Ethyl-2-methyl-3-hydroxysuccinimide	+	157.0742	2.9263334	80.2		(158.0814, 11053.0)(159.0867, 1031.61)	FindByMolecularFeature	C7 H11 N O3	9
2H-Indol-2-one, 1,3-dihydro-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-	2H-Indol-2-one, 1,3-dihydro-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]- [ C14 H20 N2 O3, overall=98.27, db=98.27, CAS ID=40053-65-4, METLIN ID=1944 ]	40053-65-4		2H-Indol-2-one, 1,3-dihydro-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-	+	264.1475	6.254111	98.27		(265.1548, 65003.28)(266.1584, 10427.31)(267.1637, 1886.91)	FindByMolecularFeature	C14 H20 N2 O3	9
2-methyl-hexanoic acid	2-methyl-hexanoic acid [ C7 H14 O2, overall=55.64, db=55.64, METLIN ID=34553 ]			2-methyl-hexanoic acid	+	152.084	1.2571111	55.64		(153.0912, 5956.1)(154.089, 571.16)(155.0796, 838.42)	FindByMolecularFeature	C7 H14 O2	9
3?,12?-Dihydroxy-7-oxo-5?-cholestan-26-oic acid	3?,12?-Dihydroxy-7-oxo-5?-cholestan-26-oic acid [ C27 H44 O5, overall=75.06, db=75.06, METLIN ID=43065 ]			3?,12?-Dihydroxy-7-oxo-5?-cholestan-26-oic acid	+	465.3451	1.325889	75.06		(466.3524, 8645.29)(467.3547, 2988.28)	FindByMolecularFeature	C27 H44 O5	9
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid	3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid [ C24 H38 O5, overall=97.78, db=97.78, METLIN ID=42887 ]			3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid	+	423.2983	1.448111	97.78		(424.3056, 34123.12)(425.3086, 10303.56)(426.3113, 2087.16)(427.3046, 145.86)	FindByMolecularFeature	C24 H38 O5	9
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid	3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid [ C24 H36 O3, overall=99.44, db=99.44, METLIN ID=42909 ]			3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid	+	372.2664	1.0053334	99.44		(395.2559, 7602.13)(396.2594, 2173.67)(373.2738, 100130.88)(374.2772, 25266.68)(375.2819, 3890.55)(390.2998, 9259.17)	FindByMolecularFeature	C24 H36 O3	9
3-Buten-1-amine +6.5351114	3-Buten-1-amine [ C4 H9 N, overall=87.81, db=87.81, KEGG ID=C12244, METLIN ID=69390 ]			3-Buten-1-amine +6.5351114	+	71.0733	6.5351114	87.81	C12244	(72.0807, 19057.28)(73.0833, 1009.0)	FindByMolecularFeature	C4 H9 N	9
3-Hydroxyanthranilic acid	3-Hydroxyanthranilic acid [ C7 H7 N O3, overall=86.27, db=86.27, CAS ID=548-93-6, KEGG ID=C00632, METLIN ID=3275, HMP ID=HMDB01476 ]	548-93-6		3-Hydroxyanthranilic acid	+	153.0428	3.1623333	86.27	C00632	(154.0501, 27238.6)(155.0536, 2595.9)	FindByMolecularFeature	C7 H7 N O3	9	HMDB01476
3-Methylbutanamine	3-Methylbutanamine [ C5 H13 N, overall=86.93, db=86.93, CAS ID=107-85-7, KEGG ID=C02640, METLIN ID=65805 ]	107-85-7		3-Methylbutanamine	+	87.1046	5.0785556	86.93	C02640	(88.1119, 17369.68)(89.115, 1298.18)	FindByMolecularFeature	C5 H13 N	9
3-oxo-nonanoic acid	3-oxo-nonanoic acid [ C9 H16 O3, overall=97.30, db=97.30, METLIN ID=35844 ]			3-oxo-nonanoic acid	+	189.1365	6.2392225	97.3		(190.1439, 48523.62)(191.1475, 4892.3)(192.1446, 1317.63)	FindByMolecularFeature	C9 H16 O3	9
4,7-dioxo-octanoic acid	4,7-dioxo-octanoic acid [ C8 H12 O4, overall=81.27, db=81.27, Lipid ID=LMFA01060156, METLIN ID=74790 ]			4,7-dioxo-octanoic acid	+	172.0716	1.722	81.27		(173.0788, 36052.52)(174.0821, 3012.8)(175.0844, 886.43)	FindByMolecularFeature	C8 H12 O4	9		LMFA01060156
444.7431@5.702555				444.7431@5.702555	+	444.7431	5.702555			(445.7511, 6303.12)(446.7534, 1150.73)	FindByMolecularFeature		9
4-Heptyloxyphenol +1.2421111	4-Heptyloxyphenol [ C13 H20 O2, overall=80.70, db=80.70, CAS ID=13037-86-0, KEGG ID=C14236, METLIN ID=69898 ]	13037-86-0		4-Heptyloxyphenol +1.2421111	+	208.1468	1.2421111	80.7	C14236	(209.1543, 10417.52)(210.1589, 1666.84)(226.1807, 7287.0)(227.1932, 1702.27)(434.3262, 9641.74)(435.3287, 3409.04)(436.3349, 930.26)(417.3007, 754.54)	FindByMolecularFeature	C13 H20 O2	9
4-Nitrotoluene	4-Nitrotoluene [ C7 H7 N O2, overall=85.78, db=85.78, CAS ID=99-99-0, KEGG ID=C14394, METLIN ID=70025 ]	99-99-0		4-Nitrotoluene	+	154.0742	8.353222	85.78	C14394	(155.0814, 42544.43)(156.0853, 3892.86)	FindByMolecularFeature	C7 H7 N O2	9
4-Vinylcyclohexene +1.3033333	4-Vinylcyclohexene [ C8 H12, overall=87.59, db=87.59, CAS ID=100-40-3, KEGG ID=C19310, METLIN ID=73021 ]	100-40-3		4-Vinylcyclohexene +1.3033333	+	108.0939	1.3033333	87.59	C19310	(109.1011, 10199.1)(110.1041, 858.62)(217.1911, 4003.11)	FindByMolecularFeature	C8 H12	9
526.6541@7.678556				526.6541@7.678556	+	526.6541	7.678556			(527.6613, 16774.12)(528.6642, 1947.53)	FindByMolecularFeature		9
539.8248@6.458778				539.8248@6.458778	+	539.8248	6.458778			(540.832, 21485.75)(541.8345, 2151.51)	FindByMolecularFeature		9
570.6803@7.960111				570.6803@7.960111	+	570.6803	7.960111			(571.6877, 11925.44)(572.6908, 1940.12)	FindByMolecularFeature		9
5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoic acid +7.284889	5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoic acid [ C7 H10 O3, overall=32.35, db=32.35, Lipid ID=LMFA01050262, METLIN ID=74626 ]			5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoic acid +7.284889	+	164.0435	7.284889	32.35		(165.0508, 13756.5)(166.0525, 2916.34)(167.0493, 2295.64)	FindByMolecularFeature	C7 H10 O3	9		LMFA01050262
7-Methylxanthine	7-Methylxanthine [ C6 H6 N4 O2, overall=55.54, db=55.54, CAS ID=552-62-5, KEGG ID=C16353, METLIN ID=58075, HMP ID=HMDB01991 ]	552-62-5		7-Methylxanthine	+	166.0497	1.7017777	55.54	C16353	(189.0419, 1032.1)(167.0569, 11247.47)(168.0656, 1259.45)(169.0638, 1230.65)	FindByMolecularFeature	C6 H6 N4 O2	9	HMDB01991
8,11,14-Nonadecatriynoic acid	8,11,14-Nonadecatriynoic acid [ C19 H26 O2, overall=79.16, db=79.16, Lipid ID=LMFA01030502, METLIN ID=74159 ]			8,11,14-Nonadecatriynoic acid	+	286.1932	1.1145556	79.16		(287.2012, 11447.38)(288.2057, 2750.62)	FindByMolecularFeature	C19 H26 O2	9		LMFA01030502
9R,10S,18-trihydroxy-stearic acid	9R,10S,18-trihydroxy-stearic acid [ C18 H36 O5, overall=77.90, db=77.90, Lipid ID=LMFA02000006, METLIN ID=36013 ]			9R,10S,18-trihydroxy-stearic acid	+	332.2564	1.3327777	77.9		(355.2477, 2046.73)(356.2534, 921.29)(357.2415, 1305.09)(333.2632, 7582.28)(334.2676, 1919.98)	FindByMolecularFeature	C18 H36 O5	9		LMFA02000006
all-trans-Dehydroretinal	all-trans-Dehydroretinal [ C20 H26 O, overall=83.97, db=83.97, Lipid ID=LMPR01090006, KEGG ID=C05918, METLIN ID=41502 ]			all-trans-Dehydroretinal	+	304.1788	1.268	83.97	C05918	(305.1861, 6032.43)(306.1941, 1468.11)(307.1898, 344.47)	FindByMolecularFeature	C20 H26 O	9		LMPR01090006
Anhalonidine +4.718778	Anhalonidine [ C12 H17 N O3, overall=96.70, db=96.70, KEGG ID=C16704, METLIN ID=71290 ]			Anhalonidine +4.718778	+	223.1211	4.718778	96.7	C16704	(224.1279, 41059.72)(225.1315, 5865.08)(226.1416, 988.35)	FindByMolecularFeature	C12 H17 N O3	9
Aprobarbital	Aprobarbital [ C10 H14 N2 O3, overall=70.74, db=70.74, CAS ID=77-02-1, KEGG ID=C07826, METLIN ID=66747 ]	77-02-1		Aprobarbital	+	210.1011	1.8926667	70.74	C07826	(233.0892, 885.15)(211.1083, 12624.42)(212.116, 1815.79)(213.0997, 881.57)	FindByMolecularFeature	C10 H14 N2 O3	9
Arene oxide	Arene oxide [ C6 H6 O, overall=58.66, db=58.66, KEGG ID=C01782, METLIN ID=65651 ]			Arene oxide	+	94.0419	1.260778	58.66	C01782	(95.0491, 12080.41)(96.0462, 1745.67)	FindByMolecularFeature	C6 H6 O	9
Arg Asp Lys	Arg Asp Lys [ C16 H31 N7 O6, overall=59.85, db=59.85, METLIN ID=23343 ]			Arg Asp Lys	+	417.2363	1.1096667	59.85		(440.2148, 741.33)(418.2439, 7371.78)(419.2468, 1881.82)	FindByMolecularFeature	C16 H31 N7 O6	9
Artoindonesianin B	Artoindonesianin B [ C26 H28 O8, overall=99.02, db=99.02, Lipid ID=LMPK12111537, METLIN ID=49959 ]			Artoindonesianin B	+	485.2052	4.670333	99.02		(486.2118, 19380.06)(487.2149, 5526.07)(488.2184, 1245.37)	FindByMolecularFeature	C26 H28 O8	9		LMPK12111537
Avermectin A1a monosaccharide +7.571001	Avermectin A1a monosaccharide [ C42 H62 O11, overall=85.28, db=85.28, CAS ID=, KEGG ID=C11982, METLIN ID=63693 ]			Avermectin A1a monosaccharide +7.571001	+	759.4543	7.571001	85.28	C11982	(760.4611, 9587.97)(761.4649, 3547.22)(762.4717, 624.55)	FindByMolecularFeature	C42 H62 O11	9
Azoprocarbazine	Azoprocarbazine [ C12 H17 N3 O, overall=53.77, db=53.77, CAS ID=2235-59-8, METLIN ID=2106 ]	2235-59-8		Azoprocarbazine	+	236.1626	1.4462223	53.77		(237.1697, 3332.17)(238.1739, 1776.08)(473.3357, 619.98)	FindByMolecularFeature	C12 H17 N3 O	9
C10 H10 N6	[ C10 H10 N6, overall=41.46, db=0.00, mfg=82.91 ]			C10 H10 N6	+	214.0961	2.4963331	41.46		(237.0866, 1435.13)(215.1031, 9017.04)(216.1063, 1342.19)	FindByMolecularFeature	C10 H10 N6	9
C10 H22 N2 O	[ C10 H22 N2 O, overall=49.01, db=0.00, mfg=98.02 ]			C10 H22 N2 O	+	186.1735	5.363444	49.01		(209.1627, 3416.7)(187.1808, 42809.37)(188.1838, 4217.61)(189.1861, 621.67)	FindByMolecularFeature	C10 H22 N2 O	9
C11 H12 N4 O	[ C11 H12 N4 O, overall=34.41, db=0.00, mfg=68.82 ]			C11 H12 N4 O	+	216.1009	1.1501111	34.41		(217.1075, 3544.64)(218.1114, 788.55)(234.1354, 2106.5)	FindByMolecularFeature	C11 H12 N4 O	9
C11 H25 N3 O	[ C11 H25 N3 O, overall=49.39, db=0.00, mfg=98.77 ]			C11 H25 N3 O	+	215.2001	8.464334	49.39		(238.1911, 1726.91)(216.2074, 187776.0)(217.2106, 23088.14)(218.2138, 1753.67)	FindByMolecularFeature	C11 H25 N3 O	9
C13 H16	[ C13 H16, overall=29.15, db=0.00, mfg=58.29 ]			C13 H16	+	172.1263	1.1412224	29.15		(367.2424, 914.39)(173.133, 7245.87)(174.1389, 1761.34)(362.2906, 1128.23)(345.2588, 874.12)	FindByMolecularFeature	C13 H16	9
C16 H34 O9	[ C16 H34 O9, overall=49.84, db=0.00, mfg=99.69 ]			C16 H34 O9	+	370.2205	3.632111	49.84		(371.2275, 8441.19)(372.2307, 1821.44)(388.2544, 197590.48)(389.2576, 36797.96)(390.2596, 7367.74)	FindByMolecularFeature	C16 H34 O9	9
C16 H6 N O14 S	[ C16 H6 N O14 S, overall=32.67, db=0.00, mfg=65.35 ]			C16 H6 N O14 S	+	467.9521	7.286667	32.67		(468.9597, 9898.12)(469.9616, 1485.38)	FindByMolecularFeature	C16 H6 N O14 S	9
C17 H37 N +4.119111	[ C17 H37 N, overall=33.58, db=0.00, mfg=67.16 ]			C17 H37 N +4.119111	+	255.2927	4.119111	33.58		(256.3003, 8191.47)(257.3031, 687.66)	FindByMolecularFeature	C17 H37 N	9
C20 H41 N8 O2	[ C20 H41 N8 O2, overall=37.24, db=0.00, mfg=74.47 ]			C20 H41 N8 O2	+	425.3338	1.4564444	37.24		(426.3427, 3689.43)(427.3454, 1224.33)	FindByMolecularFeature	C20 H41 N8 O2	9
C20 H42 O5	[ C20 H42 O5, overall=48.93, db=0.00, mfg=97.85 ]			C20 H42 O5	+	362.3031	1.2153333	48.93		(385.293, 692.36)(363.3108, 4876.11)(364.315, 1831.04)(380.3369, 24611.89)(381.3398, 5380.87)(382.3419, 1364.57)	FindByMolecularFeature	C20 H42 O5	9
C23 H21 N20 O5 S	[ C23 H21 N20 O5 S, overall=46.03, db=0.00, mfg=92.06 ]			C23 H21 N20 O5 S	+	689.1719	1.0232222	46.03		(690.1811, 9648.53)(691.1808, 3407.3)(692.1779, 1148.86)	FindByMolecularFeature	C23 H21 N20 O5 S	9
C25 H27 N10 O	[ C25 H27 N10 O, overall=37.63, db=0.00, mfg=75.26 ]			C25 H27 N10 O	+	483.2372	1.801	37.63		(506.23, 852.56)(484.2442, 3326.44)(485.2462, 1244.42)	FindByMolecularFeature	C25 H27 N10 O	9
C26 H39 N5 O2 S4	[ C26 H39 N5 O2 S4, overall=38.46, db=0.00, mfg=76.93 ]			C26 H39 N5 O2 S4	+	581.1994	1.0381112	38.46		(582.2067, 4677.83)(583.2075, 2138.07)(584.2044, 1771.08)	FindByMolecularFeature	C26 H39 N5 O2 S4	9
C27 H37 N16 O2 S4	[ C27 H37 N16 O2 S4, overall=26.83, db=0.00, mfg=53.67 ]			C27 H37 N16 O2 S4	+	745.2167	1.0245556	26.83		(746.2257, 3261.27)(747.2218, 1876.05)(748.2162, 1676.88)	FindByMolecularFeature	C27 H37 N16 O2 S4	9
C27 H43 N22 O	[ C27 H43 N22 O, overall=36.85, db=0.00, mfg=73.69 ]			C27 H43 N22 O	+	691.3986	4.6045556	36.85		(692.4056, 3653.46)(693.4108, 1254.47)	FindByMolecularFeature	C27 H43 N22 O	9
C28 H24 N26 O5 S	[ C28 H24 N26 O5 S, overall=42.58, db=0.00, mfg=85.17 ]			C28 H24 N26 O5 S	+	836.2127	1.0166668	42.58		(837.218, 16125.56)(838.2144, 9251.88)(839.2123, 4338.21)(854.2487, 6327.48)(855.2463, 3006.7)(856.2464, 1080.76)	FindByMolecularFeature	C28 H24 N26 O5 S	9
C33 H54 N10 O2	[ C33 H54 N10 O2, overall=36.72, db=0.00, mfg=73.43 ]			C33 H54 N10 O2	+	622.4442	4.7362223	36.72		(623.4517, 2742.94)(624.4533, 1063.8)	FindByMolecularFeature	C33 H54 N10 O2	9
C35 H60 N19	[ C35 H60 N19, overall=33.85, db=0.00, mfg=67.70 ]			C35 H60 N19	+	746.5276	5.1952224	33.85		(747.5356, 2644.19)(748.539, 1348.9)	FindByMolecularFeature	C35 H60 N19	9
C40 H38 N5 O2	[ C40 H38 N5 O2, overall=34.42, db=0.00, mfg=68.85 ]			C40 H38 N5 O2	+	620.3028	1.027111	34.42		(621.3101, 3513.23)(622.3139, 1718.14)	FindByMolecularFeature	C40 H38 N5 O2	9
C42 H87 N4 S2	[ C42 H87 N4 S2, overall=28.25, db=0.00, mfg=56.49 ]			C42 H87 N4 S2	+	711.6357	1.0302222	28.25		(712.643, 4163.06)(713.6472, 2837.92)(714.6252, 723.5)	FindByMolecularFeature	C42 H87 N4 S2	9
C43 H54	[ C43 H54, overall=31.86, db=0.00, mfg=63.72 ]			C43 H54	+	570.4224	4.2374444	31.86		(571.4302, 2875.64)(572.4344, 1662.52)	FindByMolecularFeature	C43 H54	9
C48 H80 O10	[ C48 H80 O10, overall=49.94, db=0.00, mfg=99.89 ]			C48 H80 O10	+	816.5754	1.6872221	49.94		(839.5644, 27210.77)(840.5679, 14121.93)(841.5706, 4739.13)(842.5764, 940.58)(817.5824, 148572.36)(818.5858, 79854.4)(819.5885, 23166.25)(820.5913, 5539.74)(821.5923, 718.67)	FindByMolecularFeature	C48 H80 O10	9
C8 H18 N2 O2	[ C8 H18 N2 O2, overall=48.91, db=0.00, mfg=97.82 ]			C8 H18 N2 O2	+	174.1368	6.382	48.91		(197.1271, 2116.2)(198.1254, 889.44)(175.1441, 66055.77)(176.1463, 6395.74)(177.1439, 1091.13)	FindByMolecularFeature	C8 H18 N2 O2	9
C8 H2 Cl2 N S2	[ C8 H2 Cl2 N S2, overall=23.79, db=0.00, mfg=47.58 ]			C8 H2 Cl2 N S2	+	245.9009	2.1216664	23.79		(268.8941, 869.0)(246.908, 2563.05)(263.9345, 2578.83)	FindByMolecularFeature	C8 H2 Cl2 N S2	9
C9 H22 N8 O2 S	[ C9 H22 N8 O2 S, overall=45.77, db=0.00, mfg=91.54 ]			C9 H22 N8 O2 S	+	306.1583	2.1622224	45.77		(329.1455, 809.52)(307.1656, 16776.8)(308.1685, 3112.01)(309.1657, 1132.96)	FindByMolecularFeature	C9 H22 N8 O2 S	9
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol	cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol [ C9 H12 O4, overall=85.20, db=85.20, KEGG ID=C11456, METLIN ID=69046 ]			cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol	+	184.0747	2.383222	85.2	C11456	(185.0809, 20757.48)(186.085, 2454.48)	FindByMolecularFeature	C9 H12 O4	9
Coniine +9.128111	Coniine [ C8 H17 N, overall=87.02, db=87.02, CAS ID=458-88-8, KEGG ID=C06523, METLIN ID=3249 ]	458-88-8		Coniine +9.128111	+	144.1626	9.128111	87.02	C06523	(145.1699, 23887.54)(146.1725, 2629.29)	FindByMolecularFeature	C8 H17 N	9
Corrinoid	Corrinoid [ C19 H22 N4, overall=68.41, db=68.41, CAS ID=262-76-0, KEGG ID=C06021, METLIN ID=7042, HMP ID=HMDB04269 ]	262-76-0		Corrinoid	+	323.2099	1.0625556	68.41	C06021	(324.2172, 6564.01)(325.2208, 2155.24)	FindByMolecularFeature	C19 H22 N4	9	HMDB04269
DG(22:0/14:0/0:0)	DG(22:0/14:0/0:0) [ C39 H76 O5, overall=70.94, db=70.94, METLIN ID=59069, HMP ID=HMDB07588 ]			DG(22:0/14:0/0:0)	+	641.595	1.0394444	70.94		(642.6022, 3595.32)(643.6056, 1456.51)	FindByMolecularFeature	C39 H76 O5	9	HMDB07588
Emtricitabine	Emtricitabine [ C8 H10 F N3 O3 S, overall=74.98, db=74.98, CAS ID=143491-57-0, KEGG ID=C12599, METLIN ID=69459 ]	143491-57-0		Emtricitabine	+	247.0433	6.2389994	74.98	C12599	(248.0506, 12868.06)(249.054, 1258.17)	FindByMolecularFeature	C8 H10 F N3 O3 S	9
GDP-D-glycero-alpha-D-manno-heptose	GDP-D-glycero-alpha-D-manno-heptose [ C17 H27 N5 O17 P2, overall=60.38, db=60.38, KEGG ID=C19881, METLIN ID=73410 ]			GDP-D-glycero-alpha-D-manno-heptose	+	652.1184	1.0334444	60.38	C19881	(653.1259, 2393.1)(654.1266, 1530.64)(655.1216, 1631.84)(656.1181, 768.52)	FindByMolecularFeature	C17 H27 N5 O17 P2	9
Indicumenone +1.2546666	Indicumenone [ C15 H24 O3, overall=51.75, db=51.75, KEGG ID=C17612, METLIN ID=71816 ]			Indicumenone +1.2546666	+	252.1728	1.2546666	51.75	C17612	(253.1795, 2409.94)(270.2069, 1893.82)(505.3523, 2492.12)(506.3508, 1066.08)	FindByMolecularFeature	C15 H24 O3	9
L-4-Hydroxy-3-methoxy-a-methylphenylalanine	L-4-Hydroxy-3-methoxy-a-methylphenylalanine [ C11 H15 N O4, overall=82.33, db=82.33, CAS ID=6739-31-7, METLIN ID=1219 ]	6739-31-7		L-4-Hydroxy-3-methoxy-a-methylphenylalanine	+	225.1009	6.0644445	82.33		(226.108, 11241.29)(227.1108, 1735.01)(228.1058, 770.21)(243.1345, 1192.4)	FindByMolecularFeature	C11 H15 N O4	9
Lanceotoxin A	Lanceotoxin A [ C32 H44 O12, overall=58.21, db=58.21, CAS ID=93771-82-5, KEGG ID=C08872, METLIN ID=67237 ]	93771-82-5		Lanceotoxin A	+	620.2846	1.6964445	58.21	C08872	(621.2913, 16993.08)(622.295, 6899.45)(623.3046, 5260.64)(624.3102, 766.1)	FindByMolecularFeature	C32 H44 O12	9
Lentiginosine +1.603111	Lentiginosine [ C8 H15 N O2, overall=95.91, db=95.91, CAS ID=125279-72-3, KEGG ID=C10155, METLIN ID=68160 ]	125279-72-3		Lentiginosine +1.603111	+	157.1105	1.603111	95.91	C10155	(180.1013, 1688.21)(158.1178, 170024.25)(159.121, 17750.67)(160.1323, 3029.92)(315.2275, 16982.86)(316.2311, 3134.83)	FindByMolecularFeature	C8 H15 N O2	9
Leu Ala +6.465889	Leu Ala [ C9 H18 N2 O3, overall=47.76, db=47.76, CAS ID=, METLIN ID=44685 ]			Leu Ala +6.465889	+	202.1321	6.465889	47.76		(225.1221, 3008.76)(226.1208, 877.3)(203.1392, 16021.28)(204.1378, 5332.96)(205.1367, 1016.37)	FindByMolecularFeature	C9 H18 N2 O3	9
lithocholic acid sulfate	lithocholic acid sulfate [ C24 H40 O6 S, overall=55.73, db=55.73, Lipid ID=LMST05020015, CAS ID=34669-57-3, METLIN ID=210, HMP ID=HMDB00907 ]	34669-57-3		lithocholic acid sulfate	+	473.2837	6.1007786	55.73		(474.2909, 13385.03)(475.2939, 2437.61)	FindByMolecularFeature	C24 H40 O6 S	9	HMDB00907	LMST05020015
Lys Gly	Lys Gly [ C8 H17 N3 O3, overall=89.73, db=89.73, METLIN ID=23747 ]			Lys Gly	+	203.1272	5.7071114	89.73		(226.1127, 627.95)(204.1345, 16704.04)(205.1377, 1645.62)(206.1318, 730.11)	FindByMolecularFeature	C8 H17 N3 O3	9
MID42020:26,26,26,27,27,27-hexafluoro-1?,25-dihydroxy-23,23,24,24-tetradehydrovitamin D3 / 26,26,26, +1.4843333	MID42020:26,26,26,27,27,27-hexafluoro-1?,25-dihydroxy-23,23,24,24-tetradehydrovitamin D3 / 26,26,26, [ C27 H34 F6 O3, overall=67.91, db=67.91, Lipid ID=LMST03020080, METLIN ID=42020 ]			MID42020:26,26,26,27,27,27-hexafluoro-1?,25-dihydroxy-23,23,24,24-tetradehydrovitamin D3 / 26,26,26, +1.4843333	+	542.2216	1.4843333	67.91		(543.228, 10119.42)(544.2303, 4091.22)(545.2378, 1575.21)	FindByMolecularFeature	C27 H34 F6 O3	9		LMST03020080
Musk ambrette	Musk ambrette [ C12 H16 N2 O5, overall=98.02, db=98.02, CAS ID=83-66-9, KEGG ID=C19461, METLIN ID=73155 ]	83-66-9		Musk ambrette	+	268.1063	1.8363334	98.02	C19461	(291.0956, 2079.04)(292.1036, 735.09)(269.1135, 23568.96)(270.1171, 3391.15)(271.1172, 851.27)(286.1399, 8452.12)(287.1426, 1743.36)	FindByMolecularFeature	C12 H16 N2 O5	9
Mycobactin S	Mycobactin S [ C44 H69 N5 O10, overall=77.41, db=77.41, CAS ID=26769-11-9, KEGG ID=C12216, METLIN ID=69367 ]	26769-11-9		Mycobactin S	+	827.5084	5.8028893	77.41	C12216	(828.5157, 3487.37)(829.5201, 1892.01)(830.5205, 697.94)	FindByMolecularFeature	C44 H69 N5 O10	9
Mycosporine	Mycosporine [ C11 H19 N O6, overall=85.32, db=85.32, CAS ID=59719-29-8, KEGG ID=C10607, METLIN ID=68424 ]	59719-29-8		Mycosporine	+	261.1217	7.9810004	85.32	C10607	(262.129, 17066.51)(263.1324, 2282.62)	FindByMolecularFeature	C11 H19 N O6	9
Narcissidine	Narcissidine [ C18 H23 N O5, overall=74.00, db=74.00, KEGG ID=C12184, METLIN ID=69351 ]			Narcissidine	+	333.1579	1.3201112	74	C12184	(334.1646, 6026.73)(335.1684, 1695.4)	FindByMolecularFeature	C18 H23 N O5	9
Neosakuranin	Neosakuranin [ C22 H24 O10, overall=45.55, db=45.55, Lipid ID=LMPK12120306, METLIN ID=52109 ]			Neosakuranin	+	448.1411	4.022333	45.55		(471.1311, 650.05)(449.1492, 1328.04)(466.1753, 3891.15)(467.1766, 698.06)	FindByMolecularFeature	C22 H24 O10	9		LMPK12120306
N-methylundec-10-enamide +1.1404444	N-methylundec-10-enamide [ C12 H23 N O, overall=51.63, db=51.63, METLIN ID=65467 ]			N-methylundec-10-enamide +1.1404444	+	197.1783	1.1404444	51.63		(198.1854, 11807.31)(199.1919, 3366.02)	FindByMolecularFeature	C12 H23 N O	9
N-stearoyl tyrosine +4.9166665	N-stearoyl tyrosine [ C27 H45 N O4, overall=70.32, db=70.32, Lipid ID=LMFA08020100, METLIN ID=75482 ]			N-stearoyl tyrosine +4.9166665	+	447.3344	4.9166665	70.32		(448.3417, 6281.99)(449.3437, 2357.04)	FindByMolecularFeature	C27 H45 N O4	9		LMFA08020100
ortho-Aminoazotoluene	ortho-Aminoazotoluene [ C14 H15 N3, overall=80.90, db=80.90, CAS ID=97-56-3, KEGG ID=C19188, METLIN ID=72917 ]	97-56-3		ortho-Aminoazotoluene	+	247.1075	3.0575554	80.9	C19188	(248.1148, 6064.77)(249.117, 1044.23)	FindByMolecularFeature	C14 H15 N3	9
PE(18:3(9Z,12Z,15Z)/14:0)	PE(18:3(9Z,12Z,15Z)/14:0) [ C37 H68 N O8 P, overall=46.55, db=46.55, Lipid ID=LMGP02010712, METLIN ID=76947 ]			PE(18:3(9Z,12Z,15Z)/14:0)	+	702.5002	5.002333	46.55		(703.5065, 3411.01)(704.5107, 1518.06)	FindByMolecularFeature	C37 H68 N O8 P	9		LMGP02010712
Pikromycin	Pikromycin [ C28 H47 N O8, overall=53.34, db=53.34, Lipid ID=LMPK04000038, KEGG ID=C11999, METLIN ID=41002 ]			Pikromycin	+	525.3255	6.5443325	53.34	C11999	(526.3329, 97628.41)(527.336, 18348.01)(528.3394, 1165.97)	FindByMolecularFeature	C28 H47 N O8	9		LMPK04000038
Pirbuterol	Pirbuterol [ C12 H20 N2 O3, overall=99.78, db=99.78, CAS ID=38677-81-5, KEGG ID=C07807, METLIN ID=66744 ]	38677-81-5		Pirbuterol	+	240.1475	8.450443	99.78	C07807	(241.1547, 88751.94)(242.1581, 12460.66)(243.1608, 1484.79)	FindByMolecularFeature	C12 H20 N2 O3	9
Pro Ser Gly +6.4748883	Pro Ser Gly [ C10 H17 N3 O5, overall=90.95, db=90.95, METLIN ID=17780 ]			Pro Ser Gly +6.4748883	+	259.1173	6.4748883	90.95		(260.1243, 20380.22)(261.1275, 3727.08)(262.1295, 746.79)	FindByMolecularFeature	C10 H17 N3 O5	9
Procaterol	Procaterol [ C16 H22 N2 O3, overall=81.66, db=81.66, CAS ID=59828-07-8, METLIN ID=44346 ]	59828-07-8		Procaterol	+	290.1638	1.5135555	81.66		(313.1535, 764.57)(291.1707, 7591.14)(292.174, 1700.22)	FindByMolecularFeature	C16 H22 N2 O3	9
PS(P-16:0/17:2(9Z,12Z))	PS(P-16:0/17:2(9Z,12Z)) [ C39 H72 N O9 P, overall=37.63, db=37.63, Lipid ID=LMGP03030011, METLIN ID=78751 ]			PS(P-16:0/17:2(9Z,12Z))	+	746.5264	5.203889	37.63		(747.5337, 2226.2)(748.5376, 1155.76)	FindByMolecularFeature	C39 H72 N O9 P	9		LMGP03030011
Sophoranone	Sophoranone [ C30 H36 O4, overall=61.85, db=61.85, Lipid ID=LMPK12140034, KEGG ID=C08719, METLIN ID=52524 ]			Sophoranone	+	477.2923	3.1966667	61.85	C08719	(478.2982, 5341.51)(479.3006, 1919.11)	FindByMolecularFeature	C30 H36 O4	9		LMPK12140034
Styrene	Styrene [ C8 H8, overall=80.38, db=80.38, CAS ID=100-42-5, KEGG ID=C07083, METLIN ID=66571 ]	100-42-5		Styrene	+	104.0624	4.5720005	80.38	C07083	(105.0697, 27953.15)(106.0759, 2217.99)(122.0961, 24351.41)(123.0969, 2031.84)	FindByMolecularFeature	C8 H8	9
Tenovin-6	Tenovin-6 [ C25 H34 N4 O2 S, overall=87.29, db=87.29, CAS ID=1011557-82-6, METLIN ID=45456 ]	1011557-82-6		Tenovin-6	+	454.2411	3.3360002	87.29		(455.2482, 3329.25)(456.2514, 769.75)(472.275, 34570.05)(473.2788, 8418.93)(474.2805, 2014.17)	FindByMolecularFeature	C25 H34 N4 O2 S	9
Tricaine +6.3742223	Tricaine [ C9 H11 N O2, overall=86.86, db=86.86, CAS ID=582-33-2, KEGG ID=C18090, METLIN ID=72021 ]	582-33-2		Tricaine +6.3742223	+	165.0791	6.3742223	86.86	C18090	(166.0864, 31660.08)(167.0895, 3727.22)	FindByMolecularFeature	C9 H11 N O2	9
Ursodeoxycholic acid 3-sulfate +1.1235557	Ursodeoxycholic acid 3-sulfate [ C24 H40 O7 S, overall=90.25, db=90.25, Lipid ID=LMST05020033, METLIN ID=57983 ]			Ursodeoxycholic acid 3-sulfate +1.1235557	+	489.276	1.1235557	90.25		(490.2828, 8796.52)(491.2869, 2160.17)(492.2884, 1023.2)	FindByMolecularFeature	C24 H40 O7 S	9		LMST05020033
Val Leu	Val Leu [ C11 H22 N2 O3, overall=97.35, db=97.35, METLIN ID=23950 ]			Val Leu	+	230.1631	6.057444	97.35		(253.1513, 6184.9)(254.1557, 1576.77)(231.1705, 40420.0)(232.1732, 4882.25)(233.1701, 1036.28)	FindByMolecularFeature	C11 H22 N2 O3	9
Val Lys +9.32589	Val Lys [ C11 H23 N3 O3, overall=86.79, db=86.79, METLIN ID=23854 ]			Val Lys +9.32589	+	245.174	9.32589	86.79		(246.1812, 37062.1)(247.1846, 5088.9)	FindByMolecularFeature	C11 H23 N3 O3	9
(+)-3-hydroxy pelargonic acid +4.8395	(+)-3-hydroxy pelargonic acid [ C9 H18 O3, overall=84.19, db=84.19, Lipid ID=LMFA01050025, METLIN ID=35407 ]			(+)-3-hydroxy pelargonic acid +4.8395	+	191.1521	4.8395	84.19		(192.1592, 6787.15)(193.1625, 922.12)	FindByMolecularFeature	C9 H18 O3	8		LMFA01050025
(+)-trans-allethrin	(+)-trans-allethrin [ C19 H26 O3, overall=89.89, db=89.89, METLIN ID=53289 ]			(+)-trans-allethrin	+	324.1692	6.65425	89.89		(325.1761, 22136.53)(326.1797, 4877.39)(327.1886, 1153.92)	FindByMolecularFeature	C19 H26 O3	8
(2R)-2-Hydroxy-2-methylbutanenitrile +6.33775	(2R)-2-Hydroxy-2-methylbutanenitrile [ C5 H9 N O, overall=47.61, db=47.61, KEGG ID=C18796, METLIN ID=72565 ]			(2R)-2-Hydroxy-2-methylbutanenitrile +6.33775	+	99.0684	6.33775	47.61	C18796	(100.0756, 7118.69)(101.071, 1239.61)(117.1022, 9053.97)(199.1441, 569.56)	FindByMolecularFeature	C5 H9 N O	8
(2S,5S)-trans-Carboxymethylproline	(2S,5S)-trans-Carboxymethylproline [ C7 H11 N O4, overall=70.21, db=70.21, KEGG ID=C17366, METLIN ID=71640 ]			(2S,5S)-trans-Carboxymethylproline	+	173.0691	6.1266246	70.21	C17366	(196.0585, 3362.45)(174.0764, 4264.79)(175.0816, 603.57)	FindByMolecularFeature	C7 H11 N O4	8
(E)-2-Butenyl-4-methyl-threonine	(E)-2-Butenyl-4-methyl-threonine [ C9 H17 N O3, overall=74.22, db=74.22, CAS ID=81135-57-1, KEGG ID=C12029, METLIN ID=69263 ]	81135-57-1		(E)-2-Butenyl-4-methyl-threonine	+	187.1213	1.1708751	74.22	C12029	(188.1288, 11497.37)(189.1303, 1816.79)(205.1518, 668.1)	FindByMolecularFeature	C9 H17 N O3	8
(S)-Piperazine-2-carboxylic acid	(S)-Piperazine-2-carboxylic acid [ C5 H10 N2 O2, overall=82.19, db=82.19, KEGG ID=C19783, METLIN ID=73357 ]			(S)-Piperazine-2-carboxylic acid	+	130.074	7.03475	82.19	C19783	(131.0813, 9023.91)(132.0839, 934.83)	FindByMolecularFeature	C5 H10 N2 O2	8
1,2-O-Diacetylzephyranthine +6.27975	1,2-O-Diacetylzephyranthine [ C20 H23 N O6, overall=98.63, db=98.63, KEGG ID=C12171, METLIN ID=69341 ]			1,2-O-Diacetylzephyranthine +6.27975	+	390.1791	6.27975	98.63	C12171	(391.1864, 13929.83)(392.1898, 3242.97)(393.1928, 801.34)	FindByMolecularFeature	C20 H23 N O6	8
10,12-Tetradecadiene-4,6-diynoic acid, (E,E)-	10,12-Tetradecadiene-4,6-diynoic acid, (E,E)- [ C14 H16 O2, overall=76.07, db=76.07, Lipid ID=LMFA01030583, METLIN ID=74240 ]			10,12-Tetradecadiene-4,6-diynoic acid, (E,E)-	+	238.0959	1.7032502	76.07		(239.1033, 5465.89)(240.1159, 932.14)	FindByMolecularFeature	C14 H16 O2	8		LMFA01030583
1057.263@1.0095				1057.263@1.0095	+	1057.263	1.0095			(1058.2716, 3351.33)(1059.266, 2585.6)(1060.2609, 2129.1)(1061.2544, 1255.5)(1062.2566, 592.84)	FindByMolecularFeature		8
1130.3062@1.052				1130.3062@1.052	+	1130.3062	1.052			(1131.2961, 1173.01)(1132.2864, 1721.2)(1133.2833, 1557.65)(1134.2805, 1083.21)	FindByMolecularFeature		8
12-HETE-GABA	12-HETE-GABA [ C24 H39 N O4, overall=62.65, db=62.65, Lipid ID=LMFA08020147, METLIN ID=75528 ]			12-HETE-GABA	+	405.2876	1.182375	62.65		(406.2949, 8045.1)(407.2958, 3033.17)	FindByMolecularFeature	C24 H39 N O4	8		LMFA08020147
12S-acetoxy-punaglandin 5	12S-acetoxy-punaglandin 5 [ C27 H37 Cl O9, overall=49.99, db=49.99, Lipid ID=LMFA03120042, METLIN ID=36425 ]			12S-acetoxy-punaglandin 5	+	562.1924	1.0855	49.99		(563.2009, 4229.41)(564.2017, 2073.76)	FindByMolecularFeature	C27 H37 Cl O9	8		LMFA03120042
1367.375@1.0212499				1367.375@1.0212499	+	1367.375	1.0212499			(1368.3805, 1753.78)(1369.3809, 2132.09)(1370.3798, 2385.52)(1371.3794, 1739.42)(1372.3761, 1197.79)(1373.379, 685.47)	FindByMolecularFeature		8
1-Methylhypoxanthine	1-Methylhypoxanthine [ C6 H6 N4 O, overall=54.49, db=54.49, CAS ID=1125-39-9, METLIN ID=3779 ]	1125-39-9		1-Methylhypoxanthine	+	150.0544	1.701375	54.49		(151.0618, 5656.96)(152.0708, 820.8)(153.0666, 1782.53)	FindByMolecularFeature	C6 H6 N4 O	8
2,3,5-Trimethacarb +6.6637497	2,3,5-Trimethacarb [ C11 H15 N O2, overall=78.10, db=78.10, CAS ID=2655-15-4, KEGG ID=C18957, METLIN ID=72717 ]	2655-15-4		2,3,5-Trimethacarb +6.6637497	+	193.1106	6.6637497	78.1	C18957	(194.1179, 15304.18)(195.122, 2700.21)	FindByMolecularFeature	C11 H15 N O2	8
2?,3?-Dihydroxy-6-oxo-5?-chol-7-en-24-oic Acid	2?,3?-Dihydroxy-6-oxo-5?-chol-7-en-24-oic Acid [ C24 H36 O5, overall=69.03, db=69.03, METLIN ID=42896 ]			2?,3?-Dihydroxy-6-oxo-5?-chol-7-en-24-oic Acid	+	404.2566	1.3215	69.03		(427.2468, 628.72)(405.263, 4552.76)(406.2714, 1390.19)(422.2896, 3473.09)(423.2826, 530.3)(424.2912, 1113.28)	FindByMolecularFeature	C24 H36 O5	8
24-hydroxy-10Z-tetracosenoic acid +4.199875	24-hydroxy-10Z-tetracosenoic acid [ C24 H46 O3, overall=75.03, db=75.03, Lipid ID=LMFA01050215, METLIN ID=74592 ]			24-hydroxy-10Z-tetracosenoic acid +4.199875	+	399.3712	4.199875	75.03		(400.378, 5074.6)(401.3821, 1578.77)(402.3851, 1012.42)	FindByMolecularFeature	C24 H46 O3	8		LMFA01050215
27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol +2.394625	27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, overall=61.59, db=61.59, Lipid ID=LMST01010213, METLIN ID=57654 ]			27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol +2.394625	+	455.3612	2.394625	61.59		(456.3684, 5028.4)(457.3703, 1243.57)(458.366, 916.41)	FindByMolecularFeature	C26 H46 O5	8		LMST01010213
2E,4E,8Z,10E-dodecatetraenoic acid	2E,4E,8Z,10E-dodecatetraenoic acid [ C12 H16 O2, overall=73.77, db=73.77, METLIN ID=34905 ]			2E,4E,8Z,10E-dodecatetraenoic acid	+	214.0959	2.68975	73.77		(215.1034, 4985.01)(216.106, 929.78)(217.1106, 581.91)	FindByMolecularFeature	C12 H16 O2	8
2H-Indol-2-one, 1,3-dihydro-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]- +6.9265003	2H-Indol-2-one, 1,3-dihydro-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]- [ C14 H20 N2 O3, overall=72.83, db=72.83, CAS ID=40053-65-4, METLIN ID=1944 ]	40053-65-4		2H-Indol-2-one, 1,3-dihydro-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]- +6.9265003	+	264.1476	6.9265003	72.83		(265.1549, 8194.4)(266.1543, 1681.14)	FindByMolecularFeature	C14 H20 N2 O3	8
2-Hydroxypyridine	2-Hydroxypyridine [ C5 H5 N O, overall=82.96, db=82.96, CAS ID=142-08-5, KEGG ID=C02502, METLIN ID=65779 ]	142-08-5		2-Hydroxypyridine	+	95.0372	1.4882499	82.96	C02502	(96.0445, 39170.27)(97.0449, 2331.63)	FindByMolecularFeature	C5 H5 N O	8
3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol	3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol [ C24 H34 O, overall=69.32, db=69.32, KEGG ID=C14915, METLIN ID=70417 ]			3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol	+	338.2601	1.336375	69.32	C14915	(339.268, 4799.0)(340.2724, 1800.44)(341.2711, 905.98)	FindByMolecularFeature	C24 H34 O	8
3,4,5-Trimethoxybenzoic acid	3,4,5-Trimethoxybenzoic acid [ C10 H12 O5, overall=76.21, db=76.21, CAS ID=118-41-2, METLIN ID=2258 ]	118-41-2		3,4,5-Trimethoxybenzoic acid	+	229.0953	2.459125	76.21		(230.1026, 8848.71)(231.1069, 1510.14)	FindByMolecularFeature	C10 H12 O5	8
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.6846249	3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid [ C24 H36 O3, overall=97.60, db=97.60, METLIN ID=42909 ]			3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.6846249	+	372.2663	1.6846249	97.6		(373.2738, 18411.96)(374.2767, 4476.9)(375.2806, 1050.54)	FindByMolecularFeature	C24 H36 O3	8
398.7411@5.4255				398.7411@5.4255	+	398.7411	5.4255			(399.7483, 18825.44)(400.7519, 1338.5)	FindByMolecularFeature		8
437.7749@6.08725				437.7749@6.08725	+	437.7749	6.08725			(438.7821, 94909.13)(439.7848, 7428.02)	FindByMolecularFeature		8
473.3689@1.14675				473.3689@1.14675	+	473.3689	1.14675			(474.3762, 1674.17)(475.3814, 1504.44)(476.3762, 1076.77)	FindByMolecularFeature		8
4-Dimethylamino-L-phenylalanine +6.6573753	4-Dimethylamino-L-phenylalanine [ C11 H16 N2 O2, overall=78.00, db=78.00, KEGG ID=C18619, METLIN ID=72414 ]			4-Dimethylamino-L-phenylalanine +6.6573753	+	208.1215	6.6573753	78	C18619	(209.1289, 14061.24)(210.1319, 2603.16)(211.1181, 912.92)(226.1547, 1685.17)	FindByMolecularFeature	C11 H16 N2 O2	8
4-Dimethylamino-L-phenylalanine +7.8358746	4-Dimethylamino-L-phenylalanine [ C11 H16 N2 O2, overall=74.18, db=74.18, KEGG ID=C18619, METLIN ID=72414 ]			4-Dimethylamino-L-phenylalanine +7.8358746	+	208.1217	7.8358746	74.18	C18619	(209.1285, 10673.92)(210.1325, 2150.79)	FindByMolecularFeature	C11 H16 N2 O2	8
4-keto palmitic acid	4-keto palmitic acid [ C16 H30 O3, overall=47.32, db=47.32, Lipid ID=LMFA01060052, METLIN ID=35746 ]			4-keto palmitic acid	+	270.2198	1.145625	47.32		(293.2097, 2534.41)(271.2259, 5526.77)(272.2242, 2099.8)(288.2536, 34434.67)(558.4709, 2942.55)(559.4747, 1610.42)	FindByMolecularFeature	C16 H30 O3	8		LMFA01060052
525.8273@6.54525				525.8273@6.54525	+	525.8273	6.54525			(526.8344, 51303.2)(527.8375, 5284.73)	FindByMolecularFeature		8
5beta-Chola-3,8(14),11-trien-24-oic Acid +1.688125	5beta-Chola-3,8(14),11-trien-24-oic Acid [ C24 H34 O2, overall=98.55, db=98.55, Lipid ID=LMST04010327, METLIN ID=84636 ]			5beta-Chola-3,8(14),11-trien-24-oic Acid +1.688125	+	354.2557	1.688125	98.55		(355.263, 18842.51)(356.2669, 5223.95)(357.2697, 1073.23)	FindByMolecularFeature	C24 H34 O2	8		LMST04010327
5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoic acid	5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoic acid [ C7 H10 O3, overall=33.26, db=33.26, Lipid ID=LMFA01050262, METLIN ID=74626 ]			5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoic acid	+	164.0436	7.2279997	33.26		(165.051, 5347.94)(166.0533, 1053.47)(167.049, 1252.57)	FindByMolecularFeature	C7 H10 O3	8		LMFA01050262
6-Oxocineole	6-Oxocineole [ C10 H16 O2, overall=44.00, db=44.00, KEGG ID=C00848, METLIN ID=41067 ]			6-Oxocineole	+	168.1142	1.14525	44	C00848	(191.1069, 1241.24)(169.1223, 2621.98)(186.1486, 913.96)(354.2648, 1326.88)(337.2348, 5132.74)(338.2398, 1842.45)	FindByMolecularFeature	C10 H16 O2	8
708.0652@2.284				708.0652@2.284	+	708.0652	2.284			(709.0724, 5326.16)(710.0705, 797.88)(711.0696, 8904.15)(712.068, 1188.8)(713.0667, 10494.72)(714.0661, 1208.59)	FindByMolecularFeature		8
740.1875@1.0185001				740.1875@1.0185001	+	740.1875	1.0185001			(741.1946, 2684.71)(742.197, 2207.22)(743.1954, 1520.03)(758.2219, 54727.13)(759.2225, 37903.3)(760.2071, 104580.84)(761.2058, 74666.23)(762.202, 60571.02)	FindByMolecularFeature		8
8Z-heptadecenoic acid	8Z-heptadecenoic acid [ C17 H32 O2, overall=58.79, db=58.79, METLIN ID=34952 ]			8Z-heptadecenoic acid	+	268.2417	1.0825	58.79		(291.2316, 4671.51)(292.2353, 1265.13)(269.2475, 1975.21)(270.2488, 897.66)(286.2724, 959.57)	FindByMolecularFeature	C17 H32 O2	8
9-OxoOTrE	9-OxoOTrE [ C18 H28 O3, overall=46.52, db=46.52, CAS ID=125559-74-2, METLIN ID=45173 ]	125559-74-2		9-OxoOTrE	+	292.2035	1.1088749	46.52		(293.211, 4719.04)(294.2104, 1943.51)(310.237, 1359.63)	FindByMolecularFeature	C18 H28 O3	8
Acebutolol	Acebutolol [ C18 H28 N2 O4, overall=76.54, db=76.54, CAS ID=37517-30-9, KEGG ID=C06803, METLIN ID=405 ]	37517-30-9		Acebutolol	+	336.2053	1.4185	76.54	C06803	(337.2126, 8414.75)(338.2159, 1837.11)(339.2124, 985.93)	FindByMolecularFeature	C18 H28 N2 O4	8
Amino acid(Arg-)	Amino acid(Arg-) [ C6 H14 N4 O2, overall=80.29, db=80.29, KEGG ID=C02385, METLIN ID=63425 ]			Amino acid(Arg-)	+	174.1119	8.65275	80.29	C02385	(175.1192, 16136.35)(176.1233, 1668.27)	FindByMolecularFeature	C6 H14 N4 O2	8
Anopterine	Anopterine [ C31 H43 N O7, overall=67.22, db=67.22, CAS ID=38826-62-9, KEGG ID=C08658, METLIN ID=67093 ]	38826-62-9		Anopterine	+	563.2885	1.059	67.22	C08658	(564.2956, 3836.75)(565.2979, 1097.36)	FindByMolecularFeature	C31 H43 N O7	8
Argininic acid	Argininic acid [ C6 H13 N3 O3, overall=68.48, db=68.48, CAS ID=157-07-3, METLIN ID=58144, HMP ID=HMDB03148 ]	157-07-3		Argininic acid	+	175.0958	7.5978756	68.48		(198.0855, 1439.51)(176.101, 24146.67)(177.1032, 2426.95)	FindByMolecularFeature	C6 H13 N3 O3	8	HMDB03148
Atorvastatin	Atorvastatin [ C33 H35 F N2 O5, overall=81.09, db=81.09, CAS ID=134523-00-5, KEGG ID=C06834, METLIN ID=1136, HMP ID=HMDB05006 ]	134523-00-5		Atorvastatin	+	558.2518	1.689625	81.09	C06834	(559.2596, 3635.23)(560.2623, 1441.14)(561.2637, 677.23)	FindByMolecularFeature	C33 H35 F N2 O5	8	HMDB05006
Bestatin +6.386	Bestatin [ C16 H24 N2 O4, overall=84.01, db=84.01, CAS ID=65391-42-6, KEGG ID=C00732, METLIN ID=63060 ]	65391-42-6		Bestatin +6.386	+	308.1735	6.386	84.01	C00732	(309.1809, 23552.15)(310.1843, 3746.41)(311.1917, 1778.95)	FindByMolecularFeature	C16 H24 N2 O4	8
Butopyronoxyl +1.6455001	Butopyronoxyl [ C12 H18 O4, overall=71.29, db=71.29, CAS ID=532-34-3, KEGG ID=C19142, METLIN ID=72883 ]	532-34-3		Butopyronoxyl +1.6455001	+	226.1211	1.6455001	71.29	C19142	(227.1283, 12648.0)(228.1315, 2803.8)(244.1534, 640.97)(453.2491, 742.51)	FindByMolecularFeature	C12 H18 O4	8
C10 H12 N7 O	[ C10 H12 N7 O, overall=37.47, db=0.00, mfg=74.95 ]			C10 H12 N7 O	+	246.1094	1.5716251	37.47		(247.1162, 5328.37)(248.1236, 824.42)	FindByMolecularFeature	C10 H12 N7 O	8
C11 H18	[ C11 H18, overall=42.38, db=0.00, mfg=84.76 ]			C11 H18	+	150.1406	1.1420001	42.38		(173.1328, 9731.26)(174.1375, 1985.62)(151.1479, 5939.27)(152.1515, 901.1)	FindByMolecularFeature	C11 H18	8
C11 H26 N3 O2	[ C11 H26 N3 O2, overall=35.85, db=0.00, mfg=71.71 ]			C11 H26 N3 O2	+	232.2037	1.1500001	35.85		(255.1967, 1317.35)(233.2109, 7548.72)(234.2148, 1019.97)(235.2072, 729.07)(250.2373, 3977.69)(251.2409, 1070.24)	FindByMolecularFeature	C11 H26 N3 O2	8
C13 H27 N3 O2	[ C13 H27 N3 O2, overall=43.08, db=0.00, mfg=86.15 ]			C13 H27 N3 O2	+	257.2102	6.4815	43.08		(258.2175, 12797.16)(259.2211, 2126.24)	FindByMolecularFeature	C13 H27 N3 O2	8
C14 H25 N3 O3	[ C14 H25 N3 O3, overall=42.35, db=0.00, mfg=84.69 ]			C14 H25 N3 O3	+	283.1894	5.4037504	42.35		(306.1764, 693.37)(284.1967, 5650.63)(285.1986, 892.42)	FindByMolecularFeature	C14 H25 N3 O3	8
C15 H41 N8 O S	[ C15 H41 N8 O S, overall=34.36, db=0.00, mfg=68.73 ]			C15 H41 N8 O S	+	381.3089	1.28325	34.36		(382.3208, 4228.89)(383.3239, 974.14)(384.3055, 805.56)	FindByMolecularFeature	C15 H41 N8 O S	8
C17 H29 N5 O	[ C17 H29 N5 O, overall=23.81, db=0.00, mfg=47.61 ]			C17 H29 N5 O	+	319.2348	1.122375	23.81		(342.2271, 866.16)(320.2421, 3979.72)(321.2434, 2170.76)(322.2399, 1547.65)(337.271, 1515.56)	FindByMolecularFeature	C17 H29 N5 O	8
C17 H31 Cl3 N6 O16 S +2.326625	[ C17 H31 Cl3 N6 O16 S, overall=35.42, db=0.00, mfg=70.83 ]			C17 H31 Cl3 N6 O16 S +2.326625	+	712.0595	2.326625	35.42		(713.0668, 9996.3)(714.0657, 1207.21)(715.0635, 8081.54)(716.0614, 959.64)(717.0603, 5204.33)(718.0601, 451.17)(719.0575, 2291.61)	FindByMolecularFeature	C17 H31 Cl3 N6 O16 S	8
C19 H35 N15 O	[ C19 H35 N15 O, overall=41.48, db=0.00, mfg=82.97 ]			C19 H35 N15 O	+	489.3149	3.5108747	41.48		(490.3223, 6667.89)(491.3256, 1668.08)	FindByMolecularFeature	C19 H35 N15 O	8
C19 H47 N16 O8 +6.882125	[ C19 H47 N16 O8, overall=48.02, db=0.00, mfg=96.04 ]			C19 H47 N16 O8 +6.882125	+	627.3753	6.882125	48.02		(628.3828, 38409.19)(629.3857, 11191.14)(630.3881, 1067.82)	FindByMolecularFeature	C19 H47 N16 O8	8
C23 H12 N4 O24 S	[ C23 H12 N4 O24 S, overall=31.70, db=0.00, mfg=63.39 ]			C23 H12 N4 O24 S	+	759.9558	7.5685	31.7		(760.9635, 7678.38)(761.9678, 1499.45)	FindByMolecularFeature	C23 H12 N4 O24 S	8
C23 H2 N O17 S2	[ C23 H2 N O17 S2, overall=29.95, db=0.00, mfg=59.89 ]			C23 H2 N O17 S2	+	627.8773	6.883375	29.95		(628.8844, 25419.04)(629.8863, 3904.49)	FindByMolecularFeature	C23 H2 N O17 S2	8
C23 H53 N4 O13	[ C23 H53 N4 O13, overall=48.71, db=0.00, mfg=97.43 ]			C23 H53 N4 O13	+	593.3619	5.203375	48.71		(594.3691, 28106.33)(595.3725, 7682.37)(596.3745, 2206.19)	FindByMolecularFeature	C23 H53 N4 O13	8
C24 H45 N O	[ C24 H45 N O, overall=34.83, db=0.00, mfg=69.65 ]			C24 H45 N O	+	363.3494	1.0752499	34.83		(386.3336, 934.96)(364.3577, 3030.26)(365.3589, 1071.23)	FindByMolecularFeature	C24 H45 N O	8
C24 H8 N3 O25	[ C24 H8 N3 O25, overall=28.49, db=0.00, mfg=56.97 ]			C24 H8 N3 O25	+	737.9429	7.457375	28.49		(738.95, 12179.36)(739.9515, 1749.34)	FindByMolecularFeature	C24 H8 N3 O25	8
C26 H53 N8 O10	[ C26 H53 N8 O10, overall=49.54, db=0.00, mfg=99.09 ]			C26 H53 N8 O10	+	637.3883	5.36925	49.54		(638.3953, 42866.44)(639.3989, 12998.11)(640.4006, 3057.44)(641.4041, 446.01)	FindByMolecularFeature	C26 H53 N8 O10	8
C28 H49 Cl N5 O	[ C28 H49 Cl N5 O, overall=35.05, db=0.00, mfg=70.10 ]			C28 H49 Cl N5 O	+	506.3596	1.32475	35.05		(529.3511, 1052.51)(507.3668, 3568.25)(508.3689, 1445.86)(509.3809, 1216.26)	FindByMolecularFeature	C28 H49 Cl N5 O	8
C28 H57 N8 O11	[ C28 H57 N8 O11, overall=49.81, db=0.00, mfg=99.62 ]			C28 H57 N8 O11	+	681.4146	5.5248756	49.81		(682.4217, 54478.64)(683.4247, 18203.32)(684.4277, 4599.6)(685.431, 921.91)	FindByMolecularFeature	C28 H57 N8 O11	8
C29 H57 N8 O11	[ C29 H57 N8 O11, overall=47.20, db=0.00, mfg=94.40 ]			C29 H57 N8 O11	+	693.415	7.29375	47.2		(694.4223, 38672.27)(695.4251, 12068.89)(696.429, 1418.99)	FindByMolecularFeature	C29 H57 N8 O11	8
C3 H2 Cl2 N4 O S2 +2.378	[ C3 H2 Cl2 N4 O S2, overall=23.03, db=0.00, mfg=46.06 ]			C3 H2 Cl2 N4 O S2 +2.378	+	243.9039	2.378	23.03		(244.9112, 1781.66)(261.9379, 2402.03)	FindByMolecularFeature	C3 H2 Cl2 N4 O S2	8
C30 H46 N4 O7	[ C30 H46 N4 O7, overall=48.69, db=0.00, mfg=97.39 ]			C30 H46 N4 O7	+	574.3365	1.6972501	48.69		(575.3439, 12395.68)(576.347, 4526.26)(577.349, 1289.57)	FindByMolecularFeature	C30 H46 N4 O7	8
C30 H61 N8 O12	[ C30 H61 N8 O12, overall=49.61, db=0.00, mfg=99.23 ]			C30 H61 N8 O12	+	725.4405	5.659875	49.61		(726.4477, 44296.87)(727.4512, 16336.75)(728.4542, 4436.27)(729.4566, 758.54)	FindByMolecularFeature	C30 H61 N8 O12	8
C30 H63 N O16	[ C30 H63 N O16, overall=47.95, db=0.00, mfg=95.89 ]			C30 H63 N O16	+	693.4149	7.2588754	47.95		(694.4222, 19137.46)(695.4257, 5556.41)(696.4288, 1205.99)	FindByMolecularFeature	C30 H63 N O16	8
C32 H44 N4 O4	[ C32 H44 N4 O4, overall=48.97, db=0.00, mfg=97.94 ]			C32 H44 N4 O4	+	548.3357	4.3704996	48.97		(549.3429, 9874.99)(550.3462, 3588.58)(551.3506, 885.54)	FindByMolecularFeature	C32 H44 N4 O4	8
C37 H41 N3 O2	[ C37 H41 N3 O2, overall=47.04, db=0.00, mfg=94.08 ]			C37 H41 N3 O2	+	559.3203	3.5161247	47.04		(560.3267, 5389.73)(561.3311, 2046.47)(562.3356, 580.03)	FindByMolecularFeature	C37 H41 N3 O2	8
C44 H41 N17 O3 S4	[ C44 H41 N17 O3 S4, overall=28.33, db=0.00, mfg=56.66 ]			C44 H41 N17 O3 S4	+	983.251	1.0125	28.33		(984.2547, 8722.35)(985.2506, 6355.81)(986.2461, 4162.63)(1001.2864, 12670.35)(1002.2843, 7797.29)(1003.2818, 4293.56)(1004.2729, 1952.42)	FindByMolecularFeature	C44 H41 N17 O3 S4	8
C48 H32 N20 O2 S2	[ C48 H32 N20 O2 S2, overall=29.37, db=0.00, mfg=58.73 ]			C48 H32 N20 O2 S2	+	984.2411	1.0108751	29.37		(985.2542, 4523.58)(986.2485, 3334.73)(987.2472, 1640.67)(1002.2854, 5087.66)(1003.2833, 2909.15)(1004.2798, 1344.08)	FindByMolecularFeature	C48 H32 N20 O2 S2	8
C48 H78 O9	[ C48 H78 O9, overall=49.66, db=0.00, mfg=99.32 ]			C48 H78 O9	+	798.5647	1.6871248	49.66		(799.5713, 24462.12)(800.575, 12721.6)(801.5779, 4101.43)(802.5823, 727.67)	FindByMolecularFeature	C48 H78 O9	8
C52 H38 Cl N3 O4	[ C52 H38 Cl N3 O4, overall=35.21, db=0.00, mfg=70.43 ]			C52 H38 Cl N3 O4	+	803.2555	1.0188751	35.21		(804.2627, 2759.75)(805.264, 2143.51)(806.2617, 1831.06)	FindByMolecularFeature	C52 H38 Cl N3 O4	8
C9 H14	[ C9 H14, overall=36.21, db=0.00, mfg=72.42 ]			C9 H14	+	122.1092	1.135	36.21		(123.1166, 5694.3)(124.1183, 893.8)(245.2276, 1017.29)	FindByMolecularFeature	C9 H14	8
C9 H20 N2 O +5.5988746	[ C9 H20 N2 O, overall=49.46, db=0.00, mfg=98.92 ]			C9 H20 N2 O +5.5988746	+	172.1576	5.5988746	49.46		(195.1465, 8040.93)(196.1434, 1424.79)(173.1649, 110517.69)(174.168, 10238.77)(175.1699, 1632.0)	FindByMolecularFeature	C9 H20 N2 O	8
Carboxyspermidine	Carboxyspermidine [ C8 H19 N3 O2, overall=83.58, db=83.58, CAS ID=, KEGG ID=C18172, METLIN ID=63485 ]			Carboxyspermidine	+	189.1478	6.970625	83.58	C18172	(190.1551, 12876.67)(191.1577, 1763.02)	FindByMolecularFeature	C8 H19 N3 O2	8
Chivosazole A	Chivosazole A [ C49 H71 N O12, overall=69.46, db=69.46, KEGG ID=C15728, METLIN ID=71059 ]			Chivosazole A	+	865.4918	1.689625	69.46	C15728	(866.499, 8663.63)(867.5027, 4765.09)(868.5048, 2077.91)(869.5095, 335.97)	FindByMolecularFeature	C49 H71 N O12	8
Choline sulfate	Choline sulfate [ C5 H14 N O4 S, overall=93.90, db=93.90, CAS ID=4858-96-2, KEGG ID=C00919, METLIN ID=63302 ]	4858-96-2		Choline sulfate	+	183.0571	3.7394998	93.9	C00919	(206.0463, 5683.1)(207.0546, 1137.9)(184.0643, 19044.04)(185.0668, 1686.83)(186.0616, 1752.45)	FindByMolecularFeature	C5 H14 N O4 S	8
Denticulaflavonol	Denticulaflavonol [ C35 H42 O6, overall=61.49, db=61.49, Lipid ID=LMPK12111996, METLIN ID=50412 ]			Denticulaflavonol	+	575.3244	1.0430001	61.49		(576.3317, 3601.68)(577.3383, 1700.91)	FindByMolecularFeature	C35 H42 O6	8		LMPK12111996
Deoxycytidine	Deoxycytidine [ C9 H13 N3 O4, overall=68.26, db=68.26, CAS ID=951-77-9, KEGG ID=C00881, METLIN ID=3367, HMP ID=HMDB00014 ]	951-77-9		Deoxycytidine	+	227.0909	4.123875	68.26	C00881	(250.0803, 1744.45)(228.0981, 5699.15)(229.0996, 1156.78)(230.1041, 1187.99)(455.1886, 1659.36)	FindByMolecularFeature	C9 H13 N3 O4	8	HMDB00014
Dihydrozeatin	Dihydrozeatin [ C10 H15 N5 O, overall=40.68, db=40.68, CAS ID=23599-75-9, KEGG ID=C02029, METLIN ID=62862, HMP ID=HMDB12215 ]	23599-75-9		Dihydrozeatin	+	238.1523	1.2693751	40.68	C02029	(239.1612, 4422.47)(240.1575, 1359.33)(494.3476, 753.49)	FindByMolecularFeature	C10 H15 N5 O	8	HMDB12215
Dimebolin	Dimebolin [ C21 H25 N3, overall=77.67, db=77.67, CAS ID=3613-73-8, METLIN ID=45332 ]	3613-73-8		Dimebolin	+	336.2301	1.288125	77.67		(337.2374, 6863.26)(338.2414, 1926.75)	FindByMolecularFeature	C21 H25 N3	8
Enigmol	Enigmol [ C18 H39 N O2, overall=64.85, db=64.85, Lipid ID=LMSP01080058, METLIN ID=53958 ]			Enigmol	+	301.2979	4.2320004	64.85		(302.3053, 4265.94)(303.3088, 1597.69)(304.299, 374.71)	FindByMolecularFeature	C18 H39 N O2	8		LMSP01080058
Fagomine +6.5762496	Fagomine [ C6 H13 N O3, overall=99.47, db=99.47, CAS ID=53185-12-9, KEGG ID=C10144, METLIN ID=68150 ]	53185-12-9		Fagomine +6.5762496	+	147.0894	6.5762496	99.47	C10144	(170.079, 13329.49)(171.0811, 1342.6)(317.1703, 1058.59)(148.0968, 285013.3)(149.1004, 19395.52)(150.1054, 3069.33)(295.1855, 920.02)	FindByMolecularFeature	C6 H13 N O3	8
Gentamicin C1a +3.491875	Gentamicin C1a [ C19 H39 N5 O7, overall=88.91, db=88.91, CAS ID=26098-04-4, KEGG ID=C00908, METLIN ID=3051 ]	26098-04-4		Gentamicin C1a +3.491875	+	471.2679	3.491875	88.91	C00908	(472.2752, 17292.07)(473.2786, 3919.94)(474.2852, 1237.32)	FindByMolecularFeature	C19 H39 N5 O7	8
Gly Phe	Gly Phe [ C11 H14 N2 O3, overall=76.94, db=76.94, METLIN ID=23966 ]			Gly Phe	+	222.1006	6.935	76.94		(223.1078, 25629.93)(224.1148, 3364.73)(240.1342, 939.01)	FindByMolecularFeature	C11 H14 N2 O3	8
Gly Pro Ala	Gly Pro Ala [ C10 H17 N3 O4, overall=88.48, db=88.48, METLIN ID=16082 ]			Gly Pro Ala	+	243.1223	6.24375	88.48		(244.1297, 9986.5)(245.1336, 1182.17)(246.135, 658.25)	FindByMolecularFeature	C10 H17 N3 O4	8
Hexanoylglycine +6.257875	Hexanoylglycine [ C8 H15 N O3, overall=77.03, db=77.03, CAS ID=24003-67-6, METLIN ID=5669, HMP ID=HMDB00701 ]	24003-67-6		Hexanoylglycine +6.257875	+	173.1052	6.257875	77.03		(196.0988, 945.67)(174.1125, 18579.88)(175.1145, 2719.35)	FindByMolecularFeature	C8 H15 N O3	8	HMDB00701
Isouron	Isouron [ C10 H17 N3 O2, overall=74.38, db=74.38, CAS ID=55861-78-4, KEGG ID=C18432, METLIN ID=72239 ]	55861-78-4		Isouron	+	211.1323	6.6616254	74.38	C18432	(212.1395, 48744.48)(213.1432, 6365.04)(214.1337, 4130.34)	FindByMolecularFeature	C10 H17 N3 O2	8
Kukoamine D	Kukoamine D [ C28 H42 N4 O6, overall=61.70, db=61.70, KEGG ID=C17618, METLIN ID=71821 ]			Kukoamine D	+	547.3389	6.657875	61.7	C17618	(548.3462, 68353.18)(549.3489, 13653.72)	FindByMolecularFeature	C28 H42 N4 O6	8
Leu Ala +7.3465	Leu Ala [ C9 H18 N2 O3, overall=71.88, db=71.88, CAS ID=, METLIN ID=44685 ]			Leu Ala +7.3465	+	202.1321	7.3465	71.88		(203.1394, 6984.99)(204.1425, 1230.79)(205.1392, 696.86)	FindByMolecularFeature	C9 H18 N2 O3	8
Limonene-1,2-epoxide	Limonene-1,2-epoxide [ C10 H16 O, overall=59.68, db=59.68, CAS ID=1195-92-2, KEGG ID=C07271, METLIN ID=41092 ]	1195-92-2		Limonene-1,2-epoxide	+	152.1204	1.1110001	59.68	C07271	(153.1277, 9464.93)(154.1293, 2290.94)(305.2483, 1684.8)	FindByMolecularFeature	C10 H16 O	8
L-isoleucyl-L-proline	L-isoleucyl-L-proline [ C11 H20 N2 O3, overall=63.87, db=63.87, METLIN ID=62022, HMP ID=HMDB11174 ]			L-isoleucyl-L-proline	+	228.1479	6.4434996	63.87		(251.137, 1141.16)(229.1555, 4296.08)(230.1603, 917.11)	FindByMolecularFeature	C11 H20 N2 O3	8	HMDB11174
Lithocholate 3-O-glucuronide	Lithocholate 3-O-glucuronide [ C30 H48 O9, overall=39.16, db=39.16, CAS ID=75239-91-7, KEGG ID=C03033, METLIN ID=6706, HMP ID=HMDB02513 ]	75239-91-7		Lithocholate 3-O-glucuronide	+	569.3516	6.77375	39.16	C03033	(570.3592, 43370.45)(571.3616, 8542.57)	FindByMolecularFeature	C30 H48 O9	8	HMDB02513
Mesobilirubinogen +1.4195	Mesobilirubinogen [ C33 H44 N4 O6, overall=99.86, db=99.86, CAS ID=14684-37-8, KEGG ID=C05790, METLIN ID=58064, HMP ID=HMDB01898 ]	14684-37-8		Mesobilirubinogen +1.4195	+	592.3266	1.4195	99.86	C05790	(615.3151, 12833.39)(616.3183, 5024.87)(617.32, 1442.31)(593.3336, 312278.25)(594.3368, 119513.71)(595.3395, 25783.33)(596.3423, 3704.29)	FindByMolecularFeature	C33 H44 N4 O6	8	HMDB01898
Metabutethamine +6.25125	Metabutethamine [ C13 H20 N2 O2, overall=57.15, db=57.15, CAS ID=4439-25-2, KEGG ID=C17723, METLIN ID=71881 ]	4439-25-2		Metabutethamine +6.25125	+	236.1531	6.25125	57.15	C17723	(237.1602, 15200.05)(238.1641, 2461.42)(239.1476, 2217.75)	FindByMolecularFeature	C13 H20 N2 O2	8
Metalaxyl +6.623	Metalaxyl [ C15 H21 N O4, overall=59.69, db=59.69, CAS ID=57837-19-1, KEGG ID=C10947, METLIN ID=68712 ]	57837-19-1		Metalaxyl +6.623	+	296.1732	6.623	59.69	C10947	(297.1809, 9700.37)(298.1839, 1980.59)(299.1716, 1426.52)	FindByMolecularFeature	C15 H21 N O4	8
Methsuximide	Methsuximide [ C12 H13 N O2, overall=86.34, db=86.34, METLIN ID=43255 ]			Methsuximide	+	203.0949	5.309125	86.34		(204.1023, 22121.79)(205.1057, 2757.65)	FindByMolecularFeature	C12 H13 N O2	8
Muscimol +5.958375	Muscimol [ C4 H6 N2 O2, overall=83.04, db=83.04, CAS ID=2763-96-4, KEGG ID=C08311, METLIN ID=66902 ]	2763-96-4		Muscimol +5.958375	+	114.0429	5.958375	83.04	C08311	(137.0323, 3163.86)(115.0498, 6512.08)(116.0533, 512.23)	FindByMolecularFeature	C4 H6 N2 O2	8
N-Hydroxy-L-phenylalanine +3.506	N-Hydroxy-L-phenylalanine [ C9 H11 N O3, overall=68.89, db=68.89, KEGG ID=C19712, METLIN ID=73312 ]			N-Hydroxy-L-phenylalanine +3.506	+	181.0744	3.506	68.89	C19712	(182.0814, 7509.66)(183.0862, 1355.43)	FindByMolecularFeature	C9 H11 N O3	8
N-Methylanthranilic Acid	N-Methylanthranilic Acid [ C8 H9 N O2, overall=80.35, db=80.35, CAS ID=119-68-6, KEGG ID=C03005, METLIN ID=44613 ]	119-68-6		N-Methylanthranilic Acid	+	151.0633	6.77425	80.35	C03005	(152.0705, 12070.98)(153.0736, 1724.08)(169.0967, 1037.25)	FindByMolecularFeature	C8 H9 N O2	8
N-stearoyl proline	N-stearoyl proline [ C23 H43 N O3, overall=79.79, db=79.79, Lipid ID=LMFA08020119, METLIN ID=75501 ]			N-stearoyl proline	+	381.3226	1.26725	79.79		(382.3307, 7716.21)(383.3345, 1641.64)	FindByMolecularFeature	C23 H43 N O3	8		LMFA08020119
para-Cresidine	para-Cresidine [ C8 H11 N O, overall=66.71, db=66.71, CAS ID=120-71-8, KEGG ID=C19216, METLIN ID=72939 ]	120-71-8		para-Cresidine	+	137.0841	6.1921253	66.71	C19216	(138.0913, 9873.01)(139.0923, 1670.2)	FindByMolecularFeature	C8 H11 N O	8
Picolinic acid +6.5986247	Picolinic acid [ C6 H5 N O2, overall=86.02, db=86.02, CAS ID=98-98-6, KEGG ID=C10164, METLIN ID=44803 ]	98-98-6		Picolinic acid +6.5986247	+	123.0318	6.5986247	86.02	C10164	(124.0392, 17090.62)(125.0421, 1566.83)(141.0661, 2423.78)	FindByMolecularFeature	C6 H5 N O2	8
Piperidione	Piperidione [ C9 H15 N O2, overall=68.15, db=68.15, CAS ID=77-03-2, KEGG ID=C17730, METLIN ID=71886 ]	77-03-2		Piperidione	+	169.1106	1.5265	68.15	C17730	(170.1178, 29415.64)(171.1287, 3979.35)(356.253, 587.11)	FindByMolecularFeature	C9 H15 N O2	8
PS(O-20:0/0:0) +6.6311255	PS(O-20:0/0:0) [ C26 H54 N O8 P, overall=61.64, db=61.64, Lipid ID=LMGP03060001, METLIN ID=78861 ]			PS(O-20:0/0:0) +6.6311255	+	561.336	6.6311255	61.64		(562.3433, 52640.45)(563.3462, 11211.81)(564.352, 1034.84)	FindByMolecularFeature	C26 H54 N O8 P	8		LMGP03060001
Pyroquilon	Pyroquilon [ C11 H11 N O, overall=86.57, db=86.57, CAS ID=57369-32-1, KEGG ID=C18487, METLIN ID=72293 ]	57369-32-1		Pyroquilon	+	173.0843	4.683125	86.57	C18487	(174.0915, 22559.49)(175.0945, 3192.09)(191.1189, 1955.85)	FindByMolecularFeature	C11 H11 N O	8
Quinagolide	Quinagolide [ C20 H33 N3 O3 S, overall=64.14, db=64.14, CAS ID=87056-78-8, METLIN ID=2207 ]	87056-78-8		Quinagolide	+	417.2053	1.266125	64.14		(418.2129, 7597.97)(419.2168, 2581.22)	FindByMolecularFeature	C20 H33 N3 O3 S	8
Soraphen O	Soraphen O [ C18 H28 O4, overall=48.85, db=48.85, KEGG ID=C15818, METLIN ID=71101 ]			Soraphen O	+	308.1997	1.1363751	48.85	C15818	(331.1859, 855.36)(309.2085, 2319.37)(310.2015, 1026.58)(326.2328, 2294.34)	FindByMolecularFeature	C18 H28 O4	8
Taurine	Taurine [ C2 H7 N O3 S, overall=98.69, db=98.69, CAS ID=107-35-7, KEGG ID=C00245, METLIN ID=31, HMP ID=HMDB00251 ]	107-35-7		Taurine	+	125.0145	5.4113746	98.69	C00245	(148.0035, 8175.66)(149.0139, 564.08)(273.0184, 944.92)(126.0219, 31704.07)(127.0243, 1072.49)(128.0181, 1084.39)(251.0375, 2606.98)	FindByMolecularFeature	C2 H7 N O3 S	8	HMDB00251
THTC +3.40475	THTC [ C5 H8 O2 S, overall=74.52, db=74.52, KEGG ID=C11074, METLIN ID=68817 ]			THTC +3.40475	+	132.0243	3.40475	74.52	C11074	(133.0316, 7371.56)(134.0344, 778.03)(150.0577, 1436.12)	FindByMolecularFeature	C5 H8 O2 S	8
Tricaine +7.961625	Tricaine [ C9 H11 N O2, overall=79.32, db=79.32, CAS ID=582-33-2, KEGG ID=C18090, METLIN ID=72021 ]	582-33-2		Tricaine +7.961625	+	165.0792	7.961625	79.32	C18090	(166.0865, 9902.6)(167.0914, 1295.91)	FindByMolecularFeature	C9 H11 N O2	8
Tropine	Tropine [ C8 H15 N O, overall=57.92, db=57.92, CAS ID=120-29-6, KEGG ID=C00729, METLIN ID=1164 ]	120-29-6		Tropine	+	141.1155	1.52725	57.92	C00729	(142.1228, 6230.99)(143.1177, 1069.65)	FindByMolecularFeature	C8 H15 N O	8
Tyr Leu +6.7387505	Tyr Leu [ C15 H22 N2 O4, overall=82.84, db=82.84, METLIN ID=24037 ]			Tyr Leu +6.7387505	+	294.1576	6.7387505	82.84		(295.1653, 12998.65)(296.1684, 2719.08)	FindByMolecularFeature	C15 H22 N2 O4	8
Tyr Leu +7.7433753	Tyr Leu [ C15 H22 N2 O4, overall=85.35, db=85.35, METLIN ID=24037 ]			Tyr Leu +7.7433753	+	294.1579	7.7433753	85.35		(295.1652, 9925.01)(296.1686, 1875.07)	FindByMolecularFeature	C15 H22 N2 O4	8
Undecylprodigiosin	Undecylprodigiosin [ C25 H35 N3 O, overall=74.04, db=74.04, CAS ID=52340-48-4, KEGG ID=C12023, METLIN ID=69260 ]	52340-48-4		Undecylprodigiosin	+	415.2602	5.936125	74.04	C12023	(416.2675, 139205.73)(417.2701, 16475.15)(418.2711, 955.98)	FindByMolecularFeature	C25 H35 N3 O	8
(-)-Hygroline	(-)-Hygroline [ C8 H17 N O, overall=84.43, db=84.43, CAS ID=496-47-9, KEGG ID=C10152, METLIN ID=68157 ]	496-47-9		(-)-Hygroline	+	143.1305	5.0732856	84.43	C10152	(144.1379, 13628.01)(145.141, 1638.38)	FindByMolecularFeature	C8 H17 N O	7
(2-Naphthyl)methanol +1.33	(2-Naphthyl)methanol [ C11 H10 O, overall=77.27, db=77.27, CAS ID=1592-38-7, KEGG ID=C02909, METLIN ID=65858 ]	1592-38-7		(2-Naphthyl)methanol +1.33	+	180.0557	1.33	77.27	C02909	(181.063, 13732.85)(182.0671, 950.85)	FindByMolecularFeature	C11 H10 O	7
1,2-O-Diacetylzephyranthine	1,2-O-Diacetylzephyranthine [ C20 H23 N O6, overall=97.61, db=97.61, KEGG ID=C12171, METLIN ID=69341 ]			1,2-O-Diacetylzephyranthine	+	390.1789	6.209857	97.61	C12171	(391.1862, 13053.74)(392.1897, 2824.04)(393.1926, 788.56)	FindByMolecularFeature	C20 H23 N O6	7
1007.8002@5.694572				1007.8002@5.694572	+	1007.8002	5.694572			(1008.8066, 2961.35)(1009.8112, 954.57)	FindByMolecularFeature		7
1075.7867@5.6952853				1075.7867@5.6952853	+	1075.7867	5.6952853			(1076.794, 2634.15)(1077.7957, 970.46)	FindByMolecularFeature		7
10-dodecynoic acid	10-dodecynoic acid [ C12 H20 O2, overall=78.56, db=78.56, METLIN ID=35127 ]			10-dodecynoic acid	+	196.1469	1.2535714	78.56		(415.2827, 1182.97)(197.1544, 2110.68)(198.151, 789.01)(214.1805, 13104.6)(215.1834, 2560.53)	FindByMolecularFeature	C12 H20 O2	7
1129.2916@1.0228571				1129.2916@1.0228571	+	1129.2916	1.0228571			(1130.2979, 857.95)(1131.2941, 925.27)(1132.2861, 1930.17)(1133.2848, 1672.09)(1134.2776, 1226.84)(1147.3254, 13539.61)(1148.324, 13974.25)(1149.3242, 10005.73)	FindByMolecularFeature		7
1143.7743@5.6945715				1143.7743@5.6945715	+	1143.7743	5.6945715			(1144.7816, 2639.52)(1145.7861, 701.03)	FindByMolecularFeature		7
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +1.1934286	11-hydroperoxy-12,13-epoxy-9-octadecenoic acid [ C18 H32 O5, overall=54.47, db=54.47, METLIN ID=35354 ]			11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +1.1934286	+	328.2249	1.1934286	54.47		(351.2135, 783.08)(329.2311, 1909.05)(330.2335, 734.87)(346.2578, 1604.97)(347.2584, 1446.3)	FindByMolecularFeature	C18 H32 O5	7
12S-hydroxy-16-heptadecynoic acid	12S-hydroxy-16-heptadecynoic acid [ C17 H30 O3, overall=56.31, db=56.31, Lipid ID=LMFA01050146, METLIN ID=74526 ]			12S-hydroxy-16-heptadecynoic acid	+	282.2201	1.1034286	56.31		(305.2108, 2351.96)(283.2262, 3320.87)(284.2272, 1055.59)(300.2555, 2525.89)(301.2572, 758.4)(565.4462, 679.48)	FindByMolecularFeature	C17 H30 O3	7		LMFA01050146
13,14-epoxy Fluprostenol Isopropyl Ester	13,14-epoxy Fluprostenol Isopropyl Ester [ C26 H35 F3 O7, overall=89.13, db=89.13, METLIN ID=45588 ]			13,14-epoxy Fluprostenol Isopropyl Ester	+	516.2359	1.4594287	89.13		(539.2251, 3168.24)(517.2432, 35742.17)(518.2465, 10219.25)(519.2491, 2412.15)(1033.4767, 889.92)	FindByMolecularFeature	C26 H35 F3 O7	7
17-Epiestriol	17-Epiestriol [ C18 H24 O3, overall=80.44, db=80.44, Lipid ID=LMST02010049, CAS ID=1228-72-4, KEGG ID=, METLIN ID=5345, HMP ID=HMDB00356 ]	1228-72-4		17-Epiestriol	+	310.1535	6.295857	80.44		(311.1608, 10550.86)(312.1658, 2262.86)	FindByMolecularFeature	C18 H24 O3	7	HMDB00356	LMST02010049
195.1473@1.7088572				195.1473@1.7088572	+	195.1473	1.7088572			(196.1546, 3911.81)(197.154, 737.12)(198.1493, 661.52)	FindByMolecularFeature		7
1a,1b-dihomo-PGE1	1a,1b-dihomo-PGE1 [ C22 H38 O5, overall=83.10, db=83.10, Lipid ID=LMFA03010108, METLIN ID=36171 ]			1a,1b-dihomo-PGE1	+	382.2717	1.1825714	83.1		(383.2788, 1605.72)(400.3056, 7202.69)(401.3088, 1625.52)(402.3131, 910.4)	FindByMolecularFeature	C22 H38 O5	7		LMFA03010108
1a,1b-dihomo-PGE1 +1.1812857	1a,1b-dihomo-PGE1 [ C22 H38 O5, overall=88.82, db=88.82, Lipid ID=LMFA03010108, METLIN ID=36171 ]			1a,1b-dihomo-PGE1 +1.1812857	+	399.2982	1.1812857	88.82		(400.3056, 13825.35)(401.309, 3990.5)(402.3146, 1341.47)	FindByMolecularFeature	C22 H38 O5	7		LMFA03010108
2,6-Diamino-4-nitrotoluene	2,6-Diamino-4-nitrotoluene [ C7 H9 N3 O2, overall=84.09, db=84.09, CAS ID=59229-75-3, KEGG ID=C16397, METLIN ID=71185 ]	59229-75-3		2,6-Diamino-4-nitrotoluene	+	184.0961	7.030429	84.09	C16397	(185.1036, 5567.67)(186.1107, 265.29)(187.1108, 118.17)	FindByMolecularFeature	C7 H9 N3 O2	7
208.1728@1.1417143				208.1728@1.1417143	+	208.1728	1.1417143			(209.1801, 21695.5)(210.185, 4077.38)(211.1697, 6248.3)	FindByMolecularFeature		7
2-Amino-5-oxohexanoate +6.7047143	2-Amino-5-oxohexanoate [ C6 H11 N O3, overall=74.17, db=74.17, CAS ID=, KEGG ID=C05825, METLIN ID=63460 ]			2-Amino-5-oxohexanoate +6.7047143	+	145.0742	6.7047143	74.17	C05825	(168.0665, 1013.02)(146.0817, 4662.02)(147.0823, 522.88)(291.156, 1025.96)	FindByMolecularFeature	C6 H11 N O3	7
2E,4E,8Z,10E-dodecatetraenoic acid +1.2168571	2E,4E,8Z,10E-dodecatetraenoic acid [ C12 H16 O2, overall=42.90, db=42.90, METLIN ID=34905 ]			2E,4E,8Z,10E-dodecatetraenoic acid +1.2168571	+	96.0579	1.2168571	42.9		(97.0653, 3129.2)(193.1233, 7112.09)	FindByMolecularFeature	C12 H16 O2	7
2-methylbutanal oxime +5.7497144	2-methylbutanal oxime [ C5 H11 N O, overall=47.71, db=47.71, KEGG ID=C19491, METLIN ID=73185 ]			2-methylbutanal oxime +5.7497144	+	123.0683	5.7497144	47.71	C19491	(124.0757, 8951.23)(125.0722, 3117.76)(126.0655, 1570.35)	FindByMolecularFeature	C5 H11 N O	7
2-Pyridylethanol +5.4207144	2-Pyridylethanol [ C7 H9 N O, overall=74.19, db=74.19, CAS ID=103-74-2, METLIN ID=1310 ]	103-74-2		2-Pyridylethanol +5.4207144	+	123.0687	5.4207144	74.19		(124.0756, 17653.81)(125.0759, 2070.67)	FindByMolecularFeature	C7 H9 N O	7
2-Pyridylethanol +5.8159995	2-Pyridylethanol [ C7 H9 N O, overall=65.76, db=65.76, CAS ID=103-74-2, METLIN ID=1310 ]	103-74-2		2-Pyridylethanol +5.8159995	+	123.0685	5.8159995	65.76		(124.0757, 14778.88)(125.076, 1844.94)(126.0664, 781.94)	FindByMolecularFeature	C7 H9 N O	7
3-(N-Nitrosomethylamino)propionitrile	3-(N-Nitrosomethylamino)propionitrile [ C4 H7 N3 O, overall=98.31, db=98.31, CAS ID=60153-49-3, KEGG ID=C19280, METLIN ID=72998 ]	60153-49-3		3-(N-Nitrosomethylamino)propionitrile	+	113.0588	4.180286	98.31	C19280	(136.048, 28904.71)(137.0523, 1706.86)(249.1083, 2162.5)(114.0661, 93361.27)(115.0696, 5325.54)(227.1254, 194267.81)(228.1282, 20840.44)(229.13, 2167.16)	FindByMolecularFeature	C4 H7 N3 O	7
3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate	3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate [ C16 H24 O4, overall=86.14, db=86.14, CAS ID=141-37-7, KEGG ID=C19417, METLIN ID=73120 ]	141-37-7		3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate	+	302.1478	7.755286	86.14	C19417	(303.1552, 9141.65)(304.1592, 1690.56)(305.1625, 666.11)	FindByMolecularFeature	C16 H24 O4	7
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +1.3784286	3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid [ C24 H38 O5, overall=69.49, db=69.49, METLIN ID=42887 ]			3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +1.3784286	+	406.2721	1.3784286	69.49		(429.2616, 3643.82)(407.2792, 7146.13)(408.2823, 2201.62)(409.2806, 1369.76)(424.3056, 5817.68)(425.3016, 1439.49)	FindByMolecularFeature	C24 H38 O5	7
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid	3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid [ C24 H36 O4, overall=67.67, db=67.67, METLIN ID=42956 ]			3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid	+	388.2611	1.4652857	67.67		(389.2681, 13507.23)(390.2739, 4771.45)	FindByMolecularFeature	C24 H36 O4	7
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.8387144	3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid [ C24 H36 O3, overall=99.56, db=99.56, METLIN ID=42909 ]			3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.8387144	+	372.2665	1.8387144	99.56		(373.2738, 63793.62)(374.2771, 17238.55)(375.2809, 3171.59)	FindByMolecularFeature	C24 H36 O3	7
304.1131@1.5714285				304.1131@1.5714285	+	304.1131	1.5714285			(305.1204, 3595.5)(306.1338, 3010.97)	FindByMolecularFeature		7
3-Amino-?-pinene	3-Amino-?-pinene [ C10 H17 N, overall=84.08, db=84.08, CAS ID=, METLIN ID=44603 ]			3-Amino-?-pinene	+	173.1165	6.4651423	84.08		(174.1239, 26075.84)(175.1342, 2749.03)(176.1288, 786.83)	FindByMolecularFeature	C10 H17 N	7
3-Hydroxybiphenyl +4.5870004	3-Hydroxybiphenyl [ C12 H10 O, overall=81.32, db=81.32, CAS ID=580-51-8, KEGG ID=C14342, METLIN ID=69979 ]	580-51-8		3-Hydroxybiphenyl +4.5870004	+	187.1009	4.5870004	81.32	C14342	(188.1072, 19632.15)(189.1117, 3242.88)(205.1344, 919.39)	FindByMolecularFeature	C12 H10 O	7
428.7594@6.0831428				428.7594@6.0831428	+	428.7594	6.0831428			(429.7676, 17170.68)(430.7692, 2730.64)(858.5259, 14191.89)(859.5291, 5510.91)(860.5326, 1737.68)	FindByMolecularFeature		7
464.7799@5.8475714				464.7799@5.8475714	+	464.7799	5.8475714			(465.7872, 11757.29)(466.79, 1058.85)	FindByMolecularFeature		7
4-Guanidino-1-butanol +6.732857	4-Guanidino-1-butanol [ C5 H13 N3 O, overall=87.44, db=87.44, KEGG ID=C17146, METLIN ID=71589 ]			4-Guanidino-1-butanol +6.732857	+	131.1056	6.732857	87.44	C17146	(154.0956, 1954.53)(132.113, 124231.16)(133.116, 8795.29)	FindByMolecularFeature	C5 H13 N3 O	7
5?-Cyprinolsulfate	5?-Cyprinolsulfate [ C27 H48 O8 S, overall=79.95, db=79.95, Lipid ID=LMST05020004, KEGG ID=C05468, METLIN ID=43184 ]			5?-Cyprinolsulfate	+	549.3357	5.0187144	79.95	C05468	(550.343, 11833.73)(551.347, 3345.42)(552.35, 1107.84)	FindByMolecularFeature	C27 H48 O8 S	7		LMST05020004
583.8508@6.6655707				583.8508@6.6655707	+	583.8508	6.6655707			(584.8582, 28019.18)(585.8607, 2076.37)	FindByMolecularFeature		7
5-Azacytidine	5-Azacytidine [ C8 H12 N4 O5, overall=43.83, db=43.83, CAS ID=320-67-2, METLIN ID=44066 ]	320-67-2		5-Azacytidine	+	261.1038	1.8094286	43.83		(262.1114, 4554.69)(263.1147, 1140.88)(264.12, 768.58)	FindByMolecularFeature	C8 H12 N4 O5	7
655.219@1.0305713				655.219@1.0305713	+	655.219	1.0305713			(656.2263, 3480.02)(657.2262, 2660.2)(658.2241, 2070.4)(659.2222, 724.56)	FindByMolecularFeature		7
7-Sulfocholic acid	7-Sulfocholic acid [ C24 H40 O8 S, overall=57.03, db=57.03, Lipid ID=LMST04010444, METLIN ID=84745, HMP ID=HMDB02421 ]			7-Sulfocholic acid	+	505.2708	1.7782857	57.03		(506.2791, 3038.44)(507.2852, 999.1)	FindByMolecularFeature	C24 H40 O8 S	7	HMDB02421	LMST04010444
8-Hydroxy-7-methylguanine	8-Hydroxy-7-methylguanine [ C6 H7 N5 O2, overall=67.45, db=67.45, CAS ID=1688-85-3, METLIN ID=58348, HMP ID=HMDB06037 ]	1688-85-3		8-Hydroxy-7-methylguanine	+	181.0615	2.9688573	67.45		(182.0682, 11434.97)(183.0757, 1344.92)(184.0614, 624.97)	FindByMolecularFeature	C6 H7 N5 O2	7	HMDB06037
8-Hydroxyapigenin 8-(6''-E-p-coumaroylglucoside)	8-Hydroxyapigenin 8-(6''-E-p-coumaroylglucoside) [ C30 H26 O13, overall=17.10, db=17.10, Lipid ID=LMPK12111353, METLIN ID=49777 ]			8-Hydroxyapigenin 8-(6''-E-p-coumaroylglucoside)	+	594.1326	1.0318571	17.1		(595.1395, 3532.24)(596.1401, 2300.6)(597.1381, 2033.86)(612.1661, 28749.14)(613.1663, 16170.65)(614.1638, 11897.55)	FindByMolecularFeature	C30 H26 O13	7		LMPK12111353
8-Isoquinoline methanamine	8-Isoquinoline methanamine [ C11 H11 N, overall=39.96, db=39.96, METLIN ID=45036 ]			8-Isoquinoline methanamine	+	157.0917	1.6639998	39.96		(337.1758, 1823.15)(158.099, 8877.73)(159.1092, 1316.78)(315.1857, 648.4)	FindByMolecularFeature	C11 H11 N	7
8-methylcaffeine +6.0638576	8-methylcaffeine [ C9 H12 N4 O2, overall=80.81, db=80.81, CAS ID=832-66-6, METLIN ID=84980 ]	832-66-6		8-methylcaffeine +6.0638576	+	230.0767	6.0638576	80.81		(231.084, 11794.27)(232.0872, 1354.05)	FindByMolecularFeature	C9 H12 N4 O2	7
981.2629@1.0152857				981.2629@1.0152857	+	981.2629	1.0152857			(982.2702, 5149.4)(983.2657, 3808.64)(984.2515, 4255.1)	FindByMolecularFeature		7
Ala Pro	Ala Pro [ C8 H14 N2 O3, overall=81.69, db=81.69, METLIN ID=23860 ]			Ala Pro	+	186.1005	6.2761426	81.69		(187.1078, 10958.0)(188.1127, 1126.47)	FindByMolecularFeature	C8 H14 N2 O3	7
Anthranilic acid	Anthranilic acid [ C7 H7 N O2, overall=90.21, db=90.21, CAS ID=118-92-3, KEGG ID=C00108, METLIN ID=317 ]	118-92-3		Anthranilic acid	+	154.0744	1.7244285	90.21	C00108	(155.0816, 55975.2)(156.0862, 4227.12)(157.0956, 1337.51)	FindByMolecularFeature	C7 H7 N O2	7
Arbutin	Arbutin [ C12 H16 O7, overall=66.15, db=66.15, CAS ID=497-76-7, KEGG ID=C06186, METLIN ID=43989 ]	497-76-7		Arbutin	+	272.0902	1.6527141	66.15	C06186	(295.0788, 1099.71)(273.096, 3789.72)(274.1035, 779.67)	FindByMolecularFeature	C12 H16 O7	7
Bellendine	Bellendine [ C12 H15 N O2, overall=60.50, db=60.50, CAS ID=32152-73-1, KEGG ID=C10846, METLIN ID=68626 ]	32152-73-1		Bellendine	+	205.1133	5.6765714	60.5	C10846	(228.1022, 3261.16)(206.1183, 3381.22)(207.1191, 857.74)	FindByMolecularFeature	C12 H15 N O2	7
Bestatin +6.438714	Bestatin [ C16 H24 N2 O4, overall=91.44, db=91.44, CAS ID=65391-42-6, KEGG ID=C00732, METLIN ID=63060 ]	65391-42-6		Bestatin +6.438714	+	308.1737	6.438714	91.44	C00732	(309.1808, 18046.85)(310.1847, 3180.81)(311.1909, 1068.05)	FindByMolecularFeature	C16 H24 N2 O4	7
Butopyronoxyl	Butopyronoxyl [ C12 H18 O4, overall=82.64, db=82.64, CAS ID=532-34-3, KEGG ID=C19142, METLIN ID=72883 ]	532-34-3		Butopyronoxyl	+	226.1207	1.2960001	82.64	C19142	(249.1112, 2080.3)(227.1283, 13313.59)(228.1307, 1405.82)(244.155, 4225.47)	FindByMolecularFeature	C12 H18 O4	7
C11 H13 N O5	[ C11 H13 N O5, overall=40.99, db=0.00, mfg=81.99 ]			C11 H13 N O5	+	239.0797	6.5695715	40.99		(262.0695, 2544.55)(240.087, 20925.1)(241.091, 3295.88)	FindByMolecularFeature	C11 H13 N O5	7
C11 H13 O2 S2	[ C11 H13 O2 S2, overall=46.96, db=0.00, mfg=93.91 ]			C11 H13 O2 S2	+	241.0353	6.238143	46.96		(264.0239, 1873.55)(242.0426, 17196.51)(243.0464, 2147.13)(244.0424, 1455.79)	FindByMolecularFeature	C11 H13 O2 S2	7
C11 H20 N2 O4	[ C11 H20 N2 O4, overall=49.58, db=0.00, mfg=99.17 ]			C11 H20 N2 O4	+	244.1427	7.7924285	49.58		(267.1319, 590.51)(245.15, 202937.61)(246.1531, 27108.79)(247.1556, 3691.32)(248.1663, 130.25)	FindByMolecularFeature	C11 H20 N2 O4	7
C11 H22 N2 O2 +2.026	[ C11 H22 N2 O2, overall=37.28, db=0.00, mfg=74.56 ]			C11 H22 N2 O2 +2.026	+	214.1684	2.026	37.28		(215.176, 5851.94)(216.1781, 1156.73)	FindByMolecularFeature	C11 H22 N2 O2	7
C15 H23 N O6	[ C15 H23 N O6, overall=41.38, db=0.00, mfg=82.76 ]			C15 H23 N O6	+	313.1526	1.4104286	41.38		(336.1419, 673.94)(314.1601, 12925.93)(315.1645, 2379.56)	FindByMolecularFeature	C15 H23 N O6	7
C15 H27 N O2	[ C15 H27 N O2, overall=19.91, db=0.00, mfg=39.82 ]			C15 H27 N O2	+	253.2056	1.1477144	19.91		(276.1949, 3254.75)(254.2129, 13303.81)(255.2152, 4632.12)	FindByMolecularFeature	C15 H27 N O2	7
C15 H33 N6 O6	[ C15 H33 N6 O6, overall=36.84, db=0.00, mfg=73.68 ]			C15 H33 N6 O6	+	393.247	5.813857	36.84		(394.2544, 74171.66)(395.2573, 8876.09)	FindByMolecularFeature	C15 H33 N6 O6	7
C16 H14 N O21	[ C16 H14 N O21, overall=37.79, db=0.00, mfg=75.59 ]			C16 H14 N O21	+	556.0047	7.8654284	37.79		(557.0118, 13701.78)(558.0152, 2374.08)	FindByMolecularFeature	C16 H14 N O21	7
C16 H18 N9	[ C16 H18 N9, overall=39.64, db=0.00, mfg=79.29 ]			C16 H18 N9	+	336.1682	2.0615716	39.64		(359.1576, 606.27)(337.1758, 5308.05)(338.1799, 1318.22)	FindByMolecularFeature	C16 H18 N9	7
C17 H18 N6	[ C17 H18 N6, overall=33.93, db=0.00, mfg=67.87 ]			C17 H18 N6	+	306.1583	3.178	33.93		(329.1511, 775.94)(307.1656, 4373.41)(308.1686, 1380.73)	FindByMolecularFeature	C17 H18 N6	7
C17 H22 N O	[ C17 H22 N O, overall=30.97, db=0.00, mfg=61.95 ]			C17 H22 N O	+	256.1685	1.3817145	30.97		(535.3252, 1096.53)(257.1749, 2456.8)(274.201, 843.86)(513.3441, 4818.26)(514.3547, 1987.29)	FindByMolecularFeature	C17 H22 N O	7
C17 H43 N7 O3	[ C17 H43 N7 O3, overall=45.26, db=0.00, mfg=90.52 ]			C17 H43 N7 O3	+	393.3428	1.1991427	45.26		(394.3505, 7223.79)(395.3533, 1425.75)(396.3524, 530.68)	FindByMolecularFeature	C17 H43 N7 O3	7
C18 H29 N O2	[ C18 H29 N O2, overall=20.76, db=0.00, mfg=41.53 ]			C18 H29 N O2	+	291.2224	1.2467144	20.76		(292.2278, 2571.66)(293.2361, 940.21)(309.2581, 4459.4)(310.2601, 1802.24)	FindByMolecularFeature	C18 H29 N O2	7
C19 H41 N8 S2	[ C19 H41 N8 S2, overall=44.07, db=0.00, mfg=88.15 ]			C19 H41 N8 S2	+	445.2882	3.158857	44.07		(446.2961, 5142.36)(447.2996, 1283.19)(448.3023, 549.03)	FindByMolecularFeature	C19 H41 N8 S2	7
C20 H42 O4	[ C20 H42 O4, overall=39.76, db=0.00, mfg=79.53 ]			C20 H42 O4	+	346.3079	1.1470001	39.76		(347.3149, 2307.05)(364.3418, 6048.83)(365.3459, 1641.58)	FindByMolecularFeature	C20 H42 O4	7
C21 H39 N15 O2	[ C21 H39 N15 O2, overall=39.50, db=0.00, mfg=79.00 ]			C21 H39 N15 O2	+	533.3407	3.8348572	39.5		(534.348, 5803.31)(535.3527, 1533.82)	FindByMolecularFeature	C21 H39 N15 O2	7
C21 H41 N5	[ C21 H41 N5, overall=34.65, db=0.00, mfg=69.31 ]			C21 H41 N5	+	363.3347	1.143857	34.65		(386.3282, 1449.91)(364.3419, 3359.01)(365.347, 1083.6)	FindByMolecularFeature	C21 H41 N5	7
C22 H45 N8 O3	[ C22 H45 N8 O3, overall=40.63, db=0.00, mfg=81.25 ]			C22 H45 N8 O3	+	469.3612	1.5897143	40.63		(470.3685, 4127.15)(471.3704, 1189.64)	FindByMolecularFeature	C22 H45 N8 O3	7
C23 H42 Cl N2	[ C23 H42 Cl N2, overall=29.30, db=0.00, mfg=58.60 ]			C23 H42 Cl N2	+	381.3036	1.0765715	29.3		(404.2949, 958.61)(785.5911, 974.99)(382.3109, 2635.31)(383.3195, 958.59)(384.312, 810.16)(399.3352, 730.75)	FindByMolecularFeature	C23 H42 Cl N2	7
C23 H43 N8	[ C23 H43 N8, overall=35.82, db=0.00, mfg=71.64 ]			C23 H43 N8	+	431.3567	1.080143	35.82		(432.3673, 3634.77)(433.3711, 1333.42)	FindByMolecularFeature	C23 H43 N8	7
C23 H47 N8 O2	[ C23 H47 N8 O2, overall=41.35, db=0.00, mfg=82.70 ]			C23 H47 N8 O2	+	467.3821	1.4089998	41.35		(468.3893, 8835.88)(469.3925, 2284.71)	FindByMolecularFeature	C23 H47 N8 O2	7
C24 H35	[ C24 H35, overall=24.20, db=0.00, mfg=48.39 ]			C24 H35	+	323.271	1.1731428	24.2		(346.2597, 1873.78)(324.2805, 6409.55)(325.2783, 2375.85)	FindByMolecularFeature	C24 H35	7
C24 H47 N O +1.1307143	[ C24 H47 N O, overall=32.24, db=0.00, mfg=64.49 ]			C24 H47 N O +1.1307143	+	365.3653	1.1307143	32.24		(366.3725, 5860.26)(367.3765, 2468.38)(383.3995, 1406.43)	FindByMolecularFeature	C24 H47 N O	7
C25 H45 N12	[ C25 H45 N12, overall=33.80, db=0.00, mfg=67.60 ]			C25 H45 N12	+	513.3874	1.7377142	33.8		(514.3944, 2764.02)(515.4016, 1043.75)	FindByMolecularFeature	C25 H45 N12	7
C25 H51 N8 O3	[ C25 H51 N8 O3, overall=39.17, db=0.00, mfg=78.34 ]			C25 H51 N8 O3	+	511.4082	1.5367143	39.17		(512.4152, 7189.34)(513.418, 2439.45)	FindByMolecularFeature	C25 H51 N8 O3	7
C26 H2 N2 O27 S2 +5.7047143	[ C26 H2 N2 O27 S2, overall=33.53, db=0.00, mfg=67.05 ]			C26 H2 N2 O27 S2 +5.7047143	+	837.8305	5.7047143	33.53		(838.8382, 8530.6)(839.8408, 1442.29)(840.8449, 548.0)	FindByMolecularFeature	C26 H2 N2 O27 S2	7
C30 H59 N S2	[ C30 H59 N S2, overall=35.30, db=0.00, mfg=70.59 ]			C30 H59 N S2	+	497.4072	1.0564287	35.3		(498.4152, 2410.19)(499.4194, 891.38)(500.4291, 613.58)	FindByMolecularFeature	C30 H59 N S2	7
C35 H52 N S2	[ C35 H52 N S2, overall=39.15, db=0.00, mfg=78.30 ]			C35 H52 N S2	+	550.3519	1.3311428	39.15		(551.3615, 2985.77)(552.3636, 1643.11)(553.3588, 622.16)	FindByMolecularFeature	C35 H52 N S2	7
C35 O25 S	[ C35 O25 S, overall=29.62, db=0.00, mfg=59.25 ]			C35 O25 S	+	851.8456	5.6948576	29.62		(852.853, 3377.16)(853.8534, 944.59)	FindByMolecularFeature	C35 O25 S	7
C40 H33 N15 O S3	[ C40 H33 N15 O S3, overall=43.53, db=0.00, mfg=87.07 ]			C40 H33 N15 O S3	+	835.2153	1.016	43.53		(836.2214, 7346.03)(837.216, 4037.91)(838.2127, 2609.45)(839.2086, 1082.38)(853.2503, 25543.12)(854.2482, 13496.01)(855.2471, 5581.75)(856.2445, 2277.96)(857.2308, 701.69)	FindByMolecularFeature	C40 H33 N15 O S3	7
C41 H63 N5	[ C41 H63 N5, overall=38.07, db=0.00, mfg=76.14 ]			C41 H63 N5	+	625.5097	1.1245714	38.07		(626.5164, 2869.5)(627.5202, 1510.05)(628.509, 628.04)	FindByMolecularFeature	C41 H63 N5	7
C41 H77 N11 O	[ C41 H77 N11 O, overall=33.47, db=0.00, mfg=66.94 ]			C41 H77 N11 O	+	739.6327	1.0220001	33.47		(740.64, 3919.73)(741.6412, 1884.3)	FindByMolecularFeature	C41 H77 N11 O	7
C47 H72 N7 O3	[ C47 H72 N7 O3, overall=30.49, db=0.00, mfg=60.98 ]			C47 H72 N7 O3	+	782.5697	1.335	30.49		(805.5618, 611.86)(783.5772, 3060.25)(784.5803, 2153.0)	FindByMolecularFeature	C47 H72 N7 O3	7
C48 H20 Cl N7 O	[ C48 H20 Cl N7 O, overall=44.09, db=0.00, mfg=88.18 ]			C48 H20 Cl N7 O	+	745.143	1.0208571	44.09		(746.1503, 9740.4)(747.1512, 6701.4)(748.1486, 5600.98)(749.1505, 2531.73)	FindByMolecularFeature	C48 H20 Cl N7 O	7
C5 H6 O	[ C5 H6 O, overall=37.40, db=0.00, mfg=74.80 ]			C5 H6 O	+	82.0417	6.3962855	37.4		(83.0492, 6433.72)(84.0516, 738.89)(100.0755, 125432.97)	FindByMolecularFeature	C5 H6 O	7
C6 H10	[ C6 H10, overall=23.79, db=0.00, mfg=47.58 ]			C6 H10	+	82.0793	1.1454285	23.79		(105.0698, 2644.41)(83.0856, 6659.65)(165.165, 760.32)	FindByMolecularFeature	C6 H10	7
C8 H2 N O6 S	[ C8 H2 N O6 S, overall=37.33, db=0.00, mfg=74.66 ]			C8 H2 N O6 S	+	239.9599	5.692143	37.33		(240.9672, 10013.74)(241.971, 732.73)	FindByMolecularFeature	C8 H2 N O6 S	7
C9 H18 N2	[ C9 H18 N2, overall=20.57, db=0.00, mfg=41.14 ]			C9 H18 N2	+	154.1467	4.4927144	20.57		(155.154, 9019.72)(156.15, 2217.98)	FindByMolecularFeature	C9 H18 N2	7
Clofibrate	Clofibrate [ C12 H15 Cl O3, overall=57.46, db=57.46, CAS ID=637-07-0, KEGG ID=C06916, METLIN ID=1870 ]	637-07-0		Clofibrate	+	259.0964	2.0877142	57.46	C06916	(260.1055, 2045.52)(261.1009, 807.05)(262.1046, 583.36)	FindByMolecularFeature	C12 H15 Cl O3	7
Coprine	Coprine [ C8 H14 N2 O4, overall=47.22, db=47.22, CAS ID=58919-61-2, KEGG ID=C08271, METLIN ID=66878 ]	58919-61-2		Coprine	+	202.0928	6.0664287	47.22	C08271	(225.0863, 1037.75)(203.1006, 9880.57)(204.1013, 1715.33)	FindByMolecularFeature	C8 H14 N2 O4	7
Cytosine	Cytosine [ C4 H5 N3 O, overall=81.31, db=81.31, CAS ID=71-30-7, KEGG ID=C00380, METLIN ID=283, HMP ID=HMDB00630 ]	71-30-7		Cytosine	+	111.0433	4.120143	81.31	C00380	(134.032, 1262.3)(112.0506, 56897.41)(113.0568, 2535.79)(129.0759, 1928.37)(223.0959, 729.22)	FindByMolecularFeature	C4 H5 N3 O	7	HMDB00630
Desmethyl fluvoxamine	Desmethyl fluvoxamine [ C14 H19 F3 N2 O2, overall=60.22, db=60.22, CAS ID=192876-02-1, METLIN ID=85030 ]	192876-02-1		Desmethyl fluvoxamine	+	304.1428	1.5587142	60.22		(327.1316, 1717.7)(305.1499, 11703.42)(306.1516, 1463.68)(307.1588, 891.41)	FindByMolecularFeature	C14 H19 F3 N2 O2	7
Dimethylaminoethyl reserpilinate	Dimethylaminoethyl reserpilinate [ C26 H35 N3 O5, overall=96.34, db=96.34, CAS ID=3735-84-0, KEGG ID=C13441, METLIN ID=69577 ]	3735-84-0		Dimethylaminoethyl reserpilinate	+	469.2577	1.4694287	96.34	C13441	(470.265, 14976.49)(471.2687, 4594.54)(472.2726, 1272.05)	FindByMolecularFeature	C26 H35 N3 O5	7
Dioxacarb +1.3212858	Dioxacarb [ C11 H13 N O4, overall=85.55, db=85.55, CAS ID=6988-21-2, KEGG ID=C18953, METLIN ID=72713 ]	6988-21-2		Dioxacarb +1.3212858	+	223.085	1.3212858	85.55	C18953	(246.0747, 3378.47)(224.0922, 42637.8)(225.0959, 5172.26)(241.1173, 1887.38)	FindByMolecularFeature	C11 H13 N O4	7
Erythroxanthin	Erythroxanthin [ C40 H54 O4, overall=63.89, db=63.89, Lipid ID=LMPR01070146, METLIN ID=41401 ]			Erythroxanthin	+	620.386	6.951	63.89		(621.394, 1997.81)(622.3952, 804.38)	FindByMolecularFeature	C40 H54 O4	7		LMPR01070146
Ethyl isobutyl ketone	Ethyl isobutyl ketone [ C7 H14 O, overall=86.93, db=86.93, CAS ID=623-56-3, METLIN ID=58329, HMP ID=HMDB05841 ]	623-56-3		Ethyl isobutyl ketone	+	131.1309	6.3334284	86.93		(132.1381, 11932.49)(133.1412, 1150.06)	FindByMolecularFeature	C7 H14 O	7	HMDB05841
Evasterioside C	Evasterioside C [ C31 H52 O12 S, overall=54.93, db=54.93, Lipid ID=LMST05050008, METLIN ID=84928 ]			Evasterioside C	+	648.3153	3.5912857	54.93		(649.3226, 10188.21)(650.3262, 4098.92)	FindByMolecularFeature	C31 H52 O12 S	7		LMST05050008
Grayanotoxin I	Grayanotoxin I [ C22 H36 O7, overall=44.86, db=44.86, CAS ID=4720-09-6, KEGG ID=C09103, METLIN ID=43915 ]	9/6/4720		Grayanotoxin I	+	429.2713	1.4189999	44.86	C09103	(430.2796, 2619.88)(431.2786, 1341.89)(432.2809, 932.52)	FindByMolecularFeature	C22 H36 O7	7
Harzianopyridone	Harzianopyridone [ C14 H19 N O5, overall=97.05, db=97.05, CAS ID=126637-69-2, KEGG ID=C10150, METLIN ID=68155 ]	126637-69-2		Harzianopyridone	+	298.1529	7.433857	97.05	C10150	(299.1602, 16897.13)(300.1635, 2563.04)(301.1658, 829.13)	FindByMolecularFeature	C14 H19 N O5	7
Hecogenin Acetate	Hecogenin Acetate [ C29 H44 O5, overall=69.95, db=69.95, CAS ID=915-35-5, METLIN ID=43700 ]	915-35-5		Hecogenin Acetate	+	489.3453	1.8149999	69.95		(490.3521, 4678.55)(491.357, 1865.57)	FindByMolecularFeature	C29 H44 O5	7
hexadeca-7,11-dien-1-ol	hexadeca-7,11-dien-1-ol [ C16 H30 O, overall=73.67, db=73.67, Lipid ID=LMFA05000023, METLIN ID=75249 ]			hexadeca-7,11-dien-1-ol	+	238.2296	1.1124285	73.67		(261.2213, 3094.57)(239.2362, 1414.9)(256.2633, 10974.69)(257.2637, 2415.63)	FindByMolecularFeature	C16 H30 O	7		LMFA05000023
Hydroxyphenoxyethylaminohydroxypropanol	Hydroxyphenoxyethylaminohydroxypropanol [ C11 H17 N O4, overall=74.25, db=74.25, CAS ID=114849-42-2, METLIN ID=1575 ]	114849-42-2		Hydroxyphenoxyethylaminohydroxypropanol	+	227.1164	1.434	74.25		(250.1086, 930.09)(228.1238, 18124.55)(229.129, 2891.45)	FindByMolecularFeature	C11 H17 N O4	7
Iprovalicarb	Iprovalicarb [ C18 H28 N2 O3, overall=85.65, db=85.65, CAS ID=140923-17-7, KEGG ID=C18866, METLIN ID=72628 ]	140923-17-7		Iprovalicarb	+	320.2102	1.3689998	85.65	C18866	(321.2177, 6312.93)(322.2177, 1371.53)(323.2226, 490.76)	FindByMolecularFeature	C18 H28 N2 O3	7
Isopropenylacetic acid +1.1948572	Isopropenylacetic acid [ C5 H8 O2, overall=50.56, db=50.56, Lipid ID=LMFA01020110, CAS ID=, METLIN ID=4635 ]			Isopropenylacetic acid +1.1948572	+	100.052	1.1948572	50.56		(223.0971, 573.05)(101.06, 3997.66)(102.0563, 717.86)(201.1104, 2364.8)	FindByMolecularFeature	C5 H8 O2	7		LMFA01020110
L-Adrenaline +3.0802858	L-Adrenaline [ C9 H13 N O3, overall=80.91, db=80.91, CAS ID=51-43-4, KEGG ID=C00788, METLIN ID=63502 ]	51-43-4		L-Adrenaline +3.0802858	+	183.0903	3.0802858	80.91	C00788	(184.0973, 13900.01)(185.101, 1982.83)(367.1845, 659.91)	FindByMolecularFeature	C9 H13 N O3	7
L-Alanine +6.6338573	L-Alanine [ C3 H7 N O2, overall=80.78, db=80.78, CAS ID=56-41-7, KEGG ID=C00041, METLIN ID=11, HMP ID=HMDB00161 ]	56-41-7		L-Alanine +6.6338573	+	89.0477	6.6338573	80.78	C00041	(90.055, 14886.77)(91.0572, 1193.77)	FindByMolecularFeature	C3 H7 N O2	7	HMDB00161
Lentiginosine	Lentiginosine [ C8 H15 N O2, overall=99.12, db=99.12, CAS ID=125279-72-3, KEGG ID=C10155, METLIN ID=68160 ]	125279-72-3		Lentiginosine	+	157.1103	1.5527143	99.12	C10155	(158.1179, 158960.94)(159.1211, 13704.72)(160.1233, 1625.36)(315.2281, 9501.57)(316.2312, 2160.59)	FindByMolecularFeature	C8 H15 N O2	7
Lentiginosine +1.7634287	Lentiginosine [ C8 H15 N O2, overall=98.55, db=98.55, CAS ID=125279-72-3, KEGG ID=C10155, METLIN ID=68160 ]	125279-72-3		Lentiginosine +1.7634287	+	157.1104	1.7634287	98.55	C10155	(158.1178, 61238.82)(159.1211, 5535.9)(160.1232, 1452.0)	FindByMolecularFeature	C8 H15 N O2	7
lithocholic acid sulfate +6.186286	lithocholic acid sulfate [ C24 H40 O6 S, overall=50.45, db=50.45, Lipid ID=LMST05020015, CAS ID=34669-57-3, METLIN ID=210, HMP ID=HMDB00907 ]	34669-57-3		lithocholic acid sulfate +6.186286	+	473.2835	6.186286	50.45		(474.2908, 8052.26)(475.2946, 1374.52)(476.3047, 935.78)	FindByMolecularFeature	C24 H40 O6 S	7	HMDB00907	LMST05020015
L-Lysine	L-Lysine [ C6 H14 N2 O2, overall=69.95, db=69.95, CAS ID=56-87-1, KEGG ID=C00047, METLIN ID=25, HMP ID=HMDB00182 ]	56-87-1		L-Lysine	+	146.1055	8.909429	69.95	C00047	(147.1129, 10879.9)(148.108, 1262.52)	FindByMolecularFeature	C6 H14 N2 O2	7	HMDB00182
methyl 10,12,13,15-bisepidioxy-16-hydroperoxy-8E-octadecenoate	methyl 10,12,13,15-bisepidioxy-16-hydroperoxy-8E-octadecenoate [ C19 H32 O8, overall=47.50, db=47.50, Lipid ID=LMFA01040052, METLIN ID=74477 ]			methyl 10,12,13,15-bisepidioxy-16-hydroperoxy-8E-octadecenoate	+	388.2093	1.507	47.5		(411.1983, 1197.34)(389.2172, 2262.51)(406.2442, 1370.02)	FindByMolecularFeature	C19 H32 O8	7		LMFA01040052
Methyldopate +7.0251427	Methyldopate [ C12 H17 N O4, overall=70.93, db=70.93, CAS ID=, METLIN ID=43257 ]			Methyldopate +7.0251427	+	239.1169	7.0251427	70.93		(240.1237, 5878.01)(241.1275, 1281.55)	FindByMolecularFeature	C12 H17 N O4	7
Methyldopexamine sulfate	Methyldopexamine sulfate [ C23 H34 N2 O5 S, overall=72.68, db=72.68, CAS ID=, METLIN ID=2392 ]			Methyldopexamine sulfate	+	467.242	1.411143	72.68		(468.2493, 25142.91)(469.2528, 8017.82)(470.2554, 1930.42)	FindByMolecularFeature	C23 H34 N2 O5 S	7
Mexacarbate	Mexacarbate [ C12 H18 N2 O2, overall=63.67, db=63.67, CAS ID=315-18-4, KEGG ID=C18952, METLIN ID=72712 ]	315-18-4		Mexacarbate	+	222.1371	6.3154287	63.67	C18952	(223.1443, 5312.83)(224.1445, 1255.46)(225.1475, 717.96)	FindByMolecularFeature	C12 H18 N2 O2	7
N(6)-Methyllysine	N(6)-Methyllysine [ C7 H16 N2 O2, overall=99.73, db=99.73, CAS ID=1188-07-4, KEGG ID=C02728, METLIN ID=58082, HMP ID=HMDB02038 ]	1188-07-4		N(6)-Methyllysine	+	160.1212	6.7585716	99.73	C02728	(161.1285, 186412.42)(162.1316, 17097.12)(163.1322, 1906.79)	FindByMolecularFeature	C7 H16 N2 O2	7	HMDB02038
N2-(D-1-Carboxyethyl)-L-lysine	N2-(D-1-Carboxyethyl)-L-lysine [ C9 H18 N2 O4, overall=62.20, db=62.20, CAS ID=34522-31-1, KEGG ID=C04020, METLIN ID=63467 ]	34522-31-1		N2-(D-1-Carboxyethyl)-L-lysine	+	218.1275	6.5020003	62.2	C04020	(241.1162, 1869.15)(219.1355, 8165.92)(220.1406, 1268.36)	FindByMolecularFeature	C9 H18 N2 O4	7
N-Cyclohexylformamide	N-Cyclohexylformamide [ C7 H13 N O, overall=99.55, db=99.55, CAS ID=766-93-8, KEGG ID=C11519, METLIN ID=69087 ]	766-93-8		N-Cyclohexylformamide	+	127.0998	6.082286	99.55	C11519	(128.1069, 48414.52)(129.1086, 4343.07)(130.1196, 655.42)(145.1337, 530303.6)(146.1369, 43008.45)(147.1391, 3278.45)	FindByMolecularFeature	C7 H13 N O	7
N-Cyclohexylformamide +6.3184285	N-Cyclohexylformamide [ C7 H13 N O, overall=99.82, db=99.82, CAS ID=766-93-8, KEGG ID=C11519, METLIN ID=69087 ]	766-93-8		N-Cyclohexylformamide +6.3184285	+	127.0997	6.3184285	99.82	C11519	(128.107, 147000.33)(129.1098, 11007.23)(130.1103, 1286.1)(145.1336, 764515.0)(146.1367, 62001.04)(147.1389, 4256.62)	FindByMolecularFeature	C7 H13 N O	7
N-methyl-Gabapentin	N-methyl-Gabapentin [ C10 H19 N O2, overall=73.64, db=73.64, CAS ID=102937-74-6, METLIN ID=2992 ]	102937-74-6		N-methyl-Gabapentin	+	185.1419	1.2814286	73.64		(208.1343, 1055.0)(186.1491, 9053.8)(187.1513, 1700.71)(203.1784, 1195.27)	FindByMolecularFeature	C10 H19 N O2	7
N-oleoyl phenylalanine	N-oleoyl phenylalanine [ C27 H43 N O3, overall=79.95, db=79.95, Lipid ID=LMFA08020092, METLIN ID=75474 ]			N-oleoyl phenylalanine	+	429.3234	4.794857	79.95		(430.3307, 5862.44)(431.334, 1714.76)	FindByMolecularFeature	C27 H43 N O3	7		LMFA08020092
Noruron	Noruron [ C13 H22 N2 O, overall=79.27, db=79.27, CAS ID=18530-56-8, KEGG ID=C19111, METLIN ID=72853 ]	18530-56-8		Noruron	+	244.1537	6.9855714	79.27	C19111	(245.161, 18256.36)(246.1647, 2745.25)	FindByMolecularFeature	C13 H22 N2 O	7
O-propanoyl-carnitine	O-propanoyl-carnitine [ C10 H20 N O4, overall=79.37, db=79.37, KEGG ID=C03017, METLIN ID=36668 ]			O-propanoyl-carnitine	+	217.1317	6.675857	79.37	C03017	(240.1243, 2137.5)(218.1389, 7969.6)(219.1442, 1085.89)	FindByMolecularFeature	C10 H20 N O4	7
Otonecine +2.363857	Otonecine [ C9 H15 N O3, overall=84.32, db=84.32, CAS ID=6887-34-9, KEGG ID=C10356, METLIN ID=68272 ]	6887-34-9		Otonecine +2.363857	+	185.1054	2.363857	84.32	C10356	(186.1127, 12865.71)(187.1162, 1707.2)	FindByMolecularFeature	C9 H15 N O3	7
Palmitoyl dopamine	Palmitoyl dopamine [ C24 H41 N O3, overall=79.12, db=79.12, CAS ID=136181-87-8, METLIN ID=43427 ]	136181-87-8		Palmitoyl dopamine	+	391.3088	1.0924286	79.12		(392.3159, 11300.21)(393.3182, 2468.65)(394.3085, 804.44)	FindByMolecularFeature	C24 H41 N O3	7
PE(16:1(9Z)/0:0)	PE(16:1(9Z)/0:0) [ C21 H42 N O7 P, overall=70.37, db=70.37, Lipid ID=LMGP02050010, METLIN ID=77676 ]			PE(16:1(9Z)/0:0)	+	451.2702	5.9911423	70.37		(452.2775, 6512.13)(453.2806, 889.67)	FindByMolecularFeature	C21 H42 N O7 P	7		LMGP02050010
PE(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) +7.655143	PE(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) [ C43 H70 N O8 P, overall=65.41, db=65.41, KEGG ID=C00350, METLIN ID=60789, HMP ID=HMDB09393 ]			PE(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) +7.655143	+	781.4673	7.655143	65.41	C00350	(782.4746, 5359.61)(783.4784, 2138.92)	FindByMolecularFeature	C43 H70 N O8 P	7	HMDB09393
PE(20:5(5Z,8Z,11Z,14Z,17Z)/17:2(9Z,12Z))	PE(20:5(5Z,8Z,11Z,14Z,17Z)/17:2(9Z,12Z)) [ C42 H70 N O8 P, overall=92.81, db=92.81, Lipid ID=LMGP02010972, METLIN ID=77207 ]			PE(20:5(5Z,8Z,11Z,14Z,17Z)/17:2(9Z,12Z))	+	769.4665	5.7965713	92.81		(770.474, 40183.78)(771.4772, 15249.62)(772.48, 4266.92)(773.4842, 687.77)	FindByMolecularFeature	C42 H70 N O8 P	7		LMGP02010972
PE(9:0/9:0)[U] +6.2961426	PE(9:0/9:0)[U] [ C23 H46 N O8 P, overall=73.27, db=73.27, Lipid ID=LMGP02010285, METLIN ID=40682 ]			PE(9:0/9:0)[U] +6.2961426	+	495.2969	6.2961426	73.27		(496.3041, 15888.57)(497.307, 2806.83)	FindByMolecularFeature	C23 H46 N O8 P	7		LMGP02010285
Pentacarboxyl porphyrinogen III	Pentacarboxyl porphyrinogen III [ C37 H40 N4 O10, overall=83.62, db=83.62, CAS ID=, METLIN ID=6401, HMP ID=HMDB01957 ]			Pentacarboxyl porphyrinogen III	+	700.2765	6.0552855	83.62		(701.2838, 19944.67)(702.287, 6381.66)(703.2909, 2077.1)	FindByMolecularFeature	C37 H40 N4 O10	7	HMDB01957
p-Hydroxynorpseudoephedrine +3.0525715	p-Hydroxynorpseudoephedrine [ C9 H13 N O2, overall=79.17, db=79.17, CAS ID=552-85-2, METLIN ID=2017 ]	552-85-2		p-Hydroxynorpseudoephedrine +3.0525715	+	184.1213	3.0525715	79.17		(185.1286, 11360.51)(186.132, 1839.5)	FindByMolecularFeature	C9 H13 N O2	7
PS(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) +5.932143	PS(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C44 H74 N O9 P, overall=92.29, db=92.29, Lipid ID=LMGP03030092, METLIN ID=78832 ]			PS(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) +5.932143	+	406.7466	5.932143	92.29		(407.754, 15133.61)(408.7574, 1865.75)(814.5003, 24464.48)(815.5035, 9669.61)(816.5059, 2906.48)	FindByMolecularFeature	C44 H74 N O9 P	7		LMGP03030092
Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside]	Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside] [ C27 H28 O16, overall=47.71, db=47.71, Lipid ID=LMPK12112069, METLIN ID=50485 ]			Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside]	+	630.1162	1.9811428	47.71		(631.1224, 4784.82)(632.1243, 1222.84)	FindByMolecularFeature	C27 H28 O16	7		LMPK12112069
Ricinine	Ricinine [ C8 H8 N2 O2, overall=81.29, db=81.29, CAS ID=524-40-3, KEGG ID=C01526, METLIN ID=65606 ]	524-40-3		Ricinine	+	181.0856	7.8818564	81.29	C01526	(182.0925, 16357.59)(183.0972, 1796.89)	FindByMolecularFeature	C8 H8 N2 O2	7
Scopolamine N-oxide +2.4082859	Scopolamine N-oxide [ C17 H21 N O5, overall=86.58, db=86.58, CAS ID=6106-81-6, METLIN ID=4082 ]	6106-81-6		Scopolamine N-oxide +2.4082859	+	336.1688	2.4082859	86.58		(337.1761, 10209.18)(338.179, 2205.8)(339.1857, 858.48)	FindByMolecularFeature	C17 H21 N O5	7
Secnidazole +6.133714	Secnidazole [ C7 H11 N3 O3, overall=82.74, db=82.74, CAS ID=3366-95-8, METLIN ID=43554 ]	3366-95-8		Secnidazole +6.133714	+	185.0803	6.133714	82.74		(208.0699, 2073.9)(186.0872, 16577.35)(187.092, 1372.31)	FindByMolecularFeature	C7 H11 N3 O3	7
Supinidine	Supinidine [ C8 H13 N O, overall=87.49, db=87.49, CAS ID=551-59-7, KEGG ID=C10400, METLIN ID=68306 ]	551-59-7		Supinidine	+	139.0999	1.3622856	87.49	C10400	(140.1072, 48155.14)(141.1106, 4297.84)(157.1333, 735.15)	FindByMolecularFeature	C8 H13 N O	7
TG(18:1(9Z)/18:1(9Z)/18:3(9Z,12Z,15Z))[iso3]	TG(18:1(9Z)/18:1(9Z)/18:3(9Z,12Z,15Z))[iso3] [ C57 H100 O6, overall=61.63, db=61.63, Lipid ID=LMGL03010330, METLIN ID=36829 ]			TG(18:1(9Z)/18:1(9Z)/18:3(9Z,12Z,15Z))[iso3]	+	897.7634	1.0748571	61.63		(898.7822, 1294.17)(899.7874, 1130.56)(900.8001, 984.07)	FindByMolecularFeature	C57 H100 O6	7		LMGL03010330
Thr Leu	Thr Leu [ C10 H20 N2 O4, overall=81.91, db=81.91, METLIN ID=24000 ]			Thr Leu	+	232.1429	6.245	81.91		(255.1325, 4637.52)(256.1357, 964.3)(233.1499, 15265.9)(234.1536, 2367.58)	FindByMolecularFeature	C10 H20 N2 O4	7
Trolamine +6.057	Trolamine [ C6 H15 N O3, overall=63.02, db=63.02, CAS ID=102-71-6, KEGG ID=C06771, METLIN ID=43365 ]	102-71-6		Trolamine +6.057	+	149.105	6.057	63.02	C06771	(172.0966, 2847.02)(150.1123, 6571.79)(151.1181, 820.16)(152.1176, 1777.38)	FindByMolecularFeature	C6 H15 N O3	7
Trp Ile	Trp Ile [ C17 H23 N3 O3, overall=82.64, db=82.64, METLIN ID=23956 ]			Trp Ile	+	317.174	6.3232856	82.64		(318.1813, 5834.79)(319.1842, 1366.42)	FindByMolecularFeature	C17 H23 N3 O3	7
Val Gly Ile	Val Gly Ile [ C13 H25 N3 O4, overall=68.37, db=68.37, METLIN ID=21121 ]			Val Gly Ile	+	287.1845	7.594143	68.37		(288.1917, 4758.79)(289.1962, 1194.17)	FindByMolecularFeature	C13 H25 N3 O4	7
Val Val	Val Val [ C10 H20 N2 O3, overall=68.70, db=68.70, METLIN ID=23988 ]			Val Val	+	216.1475	6.186	68.7		(217.1548, 14663.04)(218.1553, 2783.71)(219.1494, 826.03)	FindByMolecularFeature	C10 H20 N2 O3	7
Vitamin E succinate(tocopherol succinate)	Vitamin E succinate(tocopherol succinate) [ C33 H54 O5, overall=44.21, db=44.21, CAS ID=4345-03-3, METLIN ID=85011 ]	3/3/4345		Vitamin E succinate(tocopherol succinate)	+	530.4	1.0665714	44.21		(531.4073, 3738.93)(532.4142, 2285.96)(533.4138, 1129.28)	FindByMolecularFeature	C33 H54 O5	7
V-PYRRO/NO	V-PYRRO/NO [ C6 H11 N3 O2, overall=97.45, db=97.45, CAS ID=179344-98-0, METLIN ID=62984 ]	179344-98-0		V-PYRRO/NO	+	157.0855	4.1497145	97.45		(180.0751, 1448.08)(158.0927, 67302.11)(159.0962, 5485.98)(160.098, 1050.98)(315.1755, 1028.19)	FindByMolecularFeature	C6 H11 N3 O2	7
Xanthosine	Xanthosine [ C10 H12 N4 O6, overall=80.88, db=80.88, CAS ID=146-80-5, KEGG ID=C01762, METLIN ID=3408, HMP ID=HMDB00299 ]	146-80-5		Xanthosine	+	284.0762	2.9864285	80.88	C01762	(307.0645, 1468.05)(285.0835, 4969.46)(286.0853, 810.72)	FindByMolecularFeature	C10 H12 N4 O6	7	HMDB00299
(-)-Pellotine	(-)-Pellotine [ C13 H19 N O3, overall=81.06, db=81.06, CAS ID=83-14-7, KEGG ID=C09604, METLIN ID=67841 ]	83-14-7		(-)-Pellotine	+	259.1172	6.2114997	81.06	C09604	(260.1251, 6748.47)(261.1306, 1017.96)	FindByMolecularFeature	C13 H19 N O3	6
(+)-7beta-Hydroxy-15-beyeren-19-oic acid	(+)-7beta-Hydroxy-15-beyeren-19-oic acid [ C20 H30 O3, overall=84.89, db=84.89, METLIN ID=53636 ]			(+)-7beta-Hydroxy-15-beyeren-19-oic acid	+	318.2196	1.3398334	84.89		(319.2269, 20159.66)(320.2306, 4552.33)	FindByMolecularFeature	C20 H30 O3	6
(E)-2-Butenyl-4-methyl-threonine +6.1094995	(E)-2-Butenyl-4-methyl-threonine [ C9 H17 N O3, overall=56.90, db=56.90, CAS ID=81135-57-1, KEGG ID=C12029, METLIN ID=69263 ]	81135-57-1		(E)-2-Butenyl-4-methyl-threonine +6.1094995	+	187.121	6.1094995	56.9	C12029	(188.1278, 2777.1)(189.1277, 764.32)(190.1322, 973.32)	FindByMolecularFeature	C9 H17 N O3	6
(E)-2-Butenyl-4-methyl-threonine +6.633	(E)-2-Butenyl-4-methyl-threonine [ C9 H17 N O3, overall=42.99, db=42.99, CAS ID=81135-57-1, KEGG ID=C12029, METLIN ID=69263 ]	81135-57-1		(E)-2-Butenyl-4-methyl-threonine +6.633	+	187.1209	6.633	42.99	C12029	(188.1282, 8251.65)(189.1264, 2947.68)	FindByMolecularFeature	C9 H17 N O3	6
(S)-b-amino-isobutyric acid	(S)-b-amino-isobutyric acid [ C4 H9 N O2, overall=84.81, db=84.81, Lipid ID=LMFA01100050, KEGG ID=C03284, METLIN ID=45884 ]			(S)-b-amino-isobutyric acid	+	103.0633	6.686333	84.81	C03284	(104.0705, 39371.89)(105.0742, 2885.6)	FindByMolecularFeature	C4 H9 N O2	6		LMFA01100050
?-PHENYL-gamma-Aminobutyric Acid	?-PHENYL-gamma-Aminobutyric Acid [ C10 H13 N O2, overall=84.14, db=84.14, CAS ID=1078-21-3, METLIN ID=73557 ]	1078-21-3		?-PHENYL-gamma-Aminobutyric Acid	+	179.0949	6.1443334	84.14		(180.1021, 14063.97)(181.1051, 2065.53)	FindByMolecularFeature	C10 H13 N O2	6
1,2-Didecanoyl-sn-glycerol	1,2-Didecanoyl-sn-glycerol [ C23 H44 O5, overall=49.47, db=49.47, CAS ID=60514-49-0, KEGG ID=C03199, METLIN ID=63008 ]	60514-49-0		1,2-Didecanoyl-sn-glycerol	+	417.3437	1.1273333	49.47	C03199	(418.351, 2482.58)(419.3527, 1074.39)	FindByMolecularFeature	C23 H44 O5	6
1,5-Naphthalenediamine	1,5-Naphthalenediamine [ C10 H10 N2, overall=73.90, db=73.90, CAS ID=2243-62-1, KEGG ID=C19463, METLIN ID=73157 ]	2243-62-1		1,5-Naphthalenediamine	+	180.0653	3.106	73.9	C19463	(181.0726, 12151.66)(182.079, 1214.71)(183.0789, 937.3)	FindByMolecularFeature	C10 H10 N2	6
1057.2736@1.0325				1057.2736@1.0325	+	1057.2736	1.0325			(1058.2755, 2162.43)(1059.2655, 1763.44)(1060.2627, 1560.8)	FindByMolecularFeature		6
109.0012@7.2990003				109.0012@7.2990003	+	109.0012	7.2990003			(110.0085, 5151.94)(111.0105, 1257.83)(112.0056, 1192.82)	FindByMolecularFeature		6
10-nitro,9Z,12Z-octadecadienoic acid	10-nitro,9Z,12Z-octadecadienoic acid [ C18 H31 N O4, overall=42.31, db=42.31, Lipid ID=LMFA01120001, METLIN ID=74885, HMP ID=HMDB05049 ]			10-nitro,9Z,12Z-octadecadienoic acid	+	325.2259	1.1110001	42.31		(348.2092, 1010.17)(326.2331, 4524.88)(327.2423, 1629.46)	FindByMolecularFeature	C18 H31 N O4	6	HMDB05049	LMFA01120001
11?-Prostaglandin F1?	11?-Prostaglandin F1? [ C20 H36 O5, overall=60.81, db=60.81, CAS ID=37785-86-7, METLIN ID=45616 ]	37785-86-7		11?-Prostaglandin F1?	+	373.2831	1.0796667	60.81		(374.2904, 5892.34)(375.2908, 1602.52)(376.2877, 903.16)	FindByMolecularFeature	C20 H36 O5	6
12,13-DiHOME	12,13-DiHOME [ C18 H34 O4, overall=81.23, db=81.23, Lipid ID=LMFA01050351, KEGG ID=C14829, METLIN ID=35698 ]			12,13-DiHOME	+	336.2279	1.1501666	81.23	C14829	(337.2347, 18988.09)(338.2386, 4560.17)	FindByMolecularFeature	C18 H34 O4	6		LMFA01050351
17beta-Methylestra-1,3,5(10)-trien-3-ol	17beta-Methylestra-1,3,5(10)-trien-3-ol [ C19 H26 O, overall=79.33, db=79.33, KEGG ID=C15020, METLIN ID=70515 ]			17beta-Methylestra-1,3,5(10)-trien-3-ol	+	292.1791	1.4894999	79.33	C15020	(293.1864, 9222.24)(294.1908, 2220.28)(295.1957, 945.86)	FindByMolecularFeature	C19 H26 O	6
1-Methylhypoxanthine +3.0830002	1-Methylhypoxanthine [ C6 H6 N4 O, overall=55.73, db=55.73, CAS ID=1125-39-9, METLIN ID=3779 ]	1125-39-9		1-Methylhypoxanthine +3.0830002	+	150.0546	3.0830002	55.73		(151.0616, 2882.88)(152.0709, 535.58)(153.0664, 417.43)	FindByMolecularFeature	C6 H6 N4 O	6
1-Pyrroline	1-Pyrroline [ C4 H7 N, overall=45.75, db=45.75, CAS ID=5724-81-2, KEGG ID=C15668, METLIN ID=71009 ]	5724-81-2		1-Pyrroline	+	69.0576	5.418667	45.75	C15668	(70.0649, 5555.82)(71.0622, 970.86)	FindByMolecularFeature	C4 H7 N	6
2,4-Diamino-6,7-dimethoxyquinazoline +2.3823335	2,4-Diamino-6,7-dimethoxyquinazoline [ C10 H12 N4 O2, overall=92.13, db=92.13, CAS ID=60547-96-8, METLIN ID=2461 ]	60547-96-8		2,4-Diamino-6,7-dimethoxyquinazoline +2.3823335	+	220.0952	2.3823335	92.13		(221.1024, 48978.11)(222.1062, 4851.47)(223.1069, 1152.64)(238.13, 2398.16)	FindByMolecularFeature	C10 H12 N4 O2	6
24,24-difluoro-25-hydroxyvitamin D3 / 24,24-difluoro-25-hydroxycholecalciferol	24,24-difluoro-25-hydroxyvitamin D3 / 24,24-difluoro-25-hydroxycholecalciferol [ C27 H42 F2 O2, overall=53.70, db=53.70, Lipid ID=LMST03020141, METLIN ID=42080 ]			24,24-difluoro-25-hydroxyvitamin D3 / 24,24-difluoro-25-hydroxycholecalciferol	+	453.3452	1.6891667	53.7		(454.3524, 4583.67)(455.3568, 1609.38)	FindByMolecularFeature	C27 H42 F2 O2	6		LMST03020141
24,24-difluoro-25-hydroxyvitamin D3 / 24,24-difluoro-25-hydroxycholecalciferol +1.8376665	24,24-difluoro-25-hydroxyvitamin D3 / 24,24-difluoro-25-hydroxycholecalciferol [ C27 H42 F2 O2, overall=74.69, db=74.69, Lipid ID=LMST03020141, METLIN ID=42080 ]			24,24-difluoro-25-hydroxyvitamin D3 / 24,24-difluoro-25-hydroxycholecalciferol +1.8376665	+	453.3454	1.8376665	74.69		(454.3527, 23999.0)(455.3554, 6681.15)(456.3586, 1828.54)	FindByMolecularFeature	C27 H42 F2 O2	6		LMST03020141
26-Hydroxybrassinolide +1.3845	26-Hydroxybrassinolide [ C28 H48 O7, overall=63.66, db=63.66, KEGG ID=C19874, METLIN ID=73406 ]			26-Hydroxybrassinolide +1.3845	+	496.3398	1.3845	63.66	C19874	(519.331, 1160.16)(520.3346, 384.05)(497.3478, 3977.23)(498.3509, 617.75)(499.3586, 808.42)	FindByMolecularFeature	C28 H48 O7	6
27-Norcholestanehexol	27-Norcholestanehexol [ C26 H46 O6, overall=47.49, db=47.49, Lipid ID=LMST04020029, METLIN ID=57911 ]			27-Norcholestanehexol	+	454.3283	1.2340001	47.49		(477.3189, 1825.16)(455.3343, 1644.75)(456.3259, 662.27)(457.3319, 710.13)(472.3634, 728.4)	FindByMolecularFeature	C26 H46 O6	6		LMST04020029
2-amino-8-oxo-9,10-epoxy-decanoic acid	2-amino-8-oxo-9,10-epoxy-decanoic acid [ C10 H17 N O4, overall=75.42, db=75.42, KEGG ID=C12027, METLIN ID=35859 ]			2-amino-8-oxo-9,10-epoxy-decanoic acid	+	215.1161	1.656	75.42	C12027	(238.1058, 529.08)(216.1231, 10787.78)(217.1218, 1465.54)	FindByMolecularFeature	C10 H17 N O4	6
2-Methylindoline	2-Methylindoline [ C9 H11 N, overall=88.07, db=88.07, CAS ID=6872-06-6, METLIN ID=812 ]	6/6/6872		2-Methylindoline	+	155.0697	6.2879996	88.07		(156.0774, 24948.58)(157.0857, 2254.16)(158.0888, 240.67)	FindByMolecularFeature	C9 H11 N	6
2-oxo-tetradecanoic acid	2-oxo-tetradecanoic acid [ C14 H26 O3, overall=39.80, db=39.80, METLIN ID=35788 ]			2-oxo-tetradecanoic acid	+	242.1887	1.2528332	39.8		(265.1756, 1093.4)(507.3665, 2141.62)(508.3663, 819.05)(509.3748, 742.26)(243.1961, 2615.26)(244.1924, 1232.92)	FindByMolecularFeature	C14 H26 O3	6
3-Dehydrocarnitine +6.185	3-Dehydrocarnitine [ C7 H14 N O3, overall=78.10, db=78.10, CAS ID=10457-99-5, KEGG ID=C02636, METLIN ID=958 ]	10457-99-5		3-Dehydrocarnitine +6.185	+	159.0901	6.185	78.1	C02636	(182.0818, 4963.15)(160.0974, 8931.79)(161.0995, 1134.15)	FindByMolecularFeature	C7 H14 N O3	6
3'-dihydroxyflurbiprofen	3'-dihydroxyflurbiprofen [ C15 H13 F O3, overall=59.11, db=59.11, CAS ID=80685-21-8, METLIN ID=2927 ]	80685-21-8		3'-dihydroxyflurbiprofen	+	260.0879	2.4088333	59.11		(261.0949, 14401.16)(262.0984, 1683.55)	FindByMolecularFeature	C15 H13 F O3	6
4,8 dimethylnonanoyl carnitine	4,8 dimethylnonanoyl carnitine [ C18 H36 N O4, overall=46.13, db=46.13, METLIN ID=58362, HMP ID=HMDB06202 ]			4,8 dimethylnonanoyl carnitine	+	329.2558	1.1476666	46.13		(352.2458, 2581.03)(330.2632, 4072.01)(659.5208, 1216.45)	FindByMolecularFeature	C18 H36 N O4	6	HMDB06202
415.7616@5.9366665				415.7616@5.9366665	+	415.7616	5.9366665			(416.769, 57677.78)(417.7719, 3807.6)	FindByMolecularFeature		6
459.7881@6.200833				459.7881@6.200833	+	459.7881	6.200833			(460.7954, 97428.52)(461.7985, 7722.83)	FindByMolecularFeature		6
481.8011@6.315333				481.8011@6.315333	+	481.8011	6.315333			(482.8083, 86038.67)(483.8111, 6530.97)(484.8286, 781.17)	FindByMolecularFeature		6
4-Dimethylamino-L-phenylalanine +4.039667	4-Dimethylamino-L-phenylalanine [ C11 H16 N2 O2, overall=73.35, db=73.35, KEGG ID=C18619, METLIN ID=72414 ]			4-Dimethylamino-L-phenylalanine +4.039667	+	208.1215	4.039667	73.35	C18619	(209.1288, 7823.51)(210.1314, 1645.05)	FindByMolecularFeature	C11 H16 N2 O2	6
4-hydroxy-3,5-bis(1-methylethyl)phenyl glucuronide	4-hydroxy-3,5-bis(1-methylethyl)phenyl glucuronide [ C18 H26 O8, overall=77.94, db=77.94, CAS ID=115005-78-2, METLIN ID=2157 ]	115005-78-2		4-hydroxy-3,5-bis(1-methylethyl)phenyl glucuronide	+	392.1446	2.4141667	77.94		(393.1519, 4497.04)(394.1564, 1105.14)	FindByMolecularFeature	C18 H26 O8	6
503.8142@6.4303336				503.8142@6.4303336	+	503.8142	6.4303336			(504.8214, 70619.73)(505.824, 6487.92)	FindByMolecularFeature		6
517.8115@6.4086666				517.8115@6.4086666	+	517.8115	6.4086666			(518.8188, 16105.46)(519.8215, 1442.87)	FindByMolecularFeature		6
517.8116@6.3291664				517.8116@6.3291664	+	517.8116	6.3291664			(518.819, 16493.24)(519.8221, 1881.98)	FindByMolecularFeature		6
530.8195@6.3286667				530.8195@6.3286667	+	530.8195	6.3286667			(531.8268, 6067.66)(532.8309, 1219.78)	FindByMolecularFeature		6
535.1578@1.0271666				535.1578@1.0271666	+	535.1578	1.0271666			(536.1655, 107594.0)(537.1657, 57281.13)(538.1528, 79656.52)	FindByMolecularFeature		6
547.8405@6.6576667				547.8405@6.6576667	+	547.8405	6.6576667			(548.8477, 36566.08)(549.8498, 3938.42)	FindByMolecularFeature		6
5beta-Chola-3,8(14),11-trien-24-oic Acid +1.8381667	5beta-Chola-3,8(14),11-trien-24-oic Acid [ C24 H34 O2, overall=99.82, db=99.82, Lipid ID=LMST04010327, METLIN ID=84636 ]			5beta-Chola-3,8(14),11-trien-24-oic Acid +1.8381667	+	354.2555	1.8381667	99.82		(355.2631, 71280.41)(356.2665, 19109.55)(357.27, 3104.32)	FindByMolecularFeature	C24 H34 O2	6		LMST04010327
5-Hydroxy-3,4-dihydrocarbostyryl +3.5035	5-Hydroxy-3,4-dihydrocarbostyryl [ C9 H9 N O2, overall=68.51, db=68.51, CAS ID=30389-33-4, METLIN ID=1550 ]	30389-33-4		5-Hydroxy-3,4-dihydrocarbostyryl +3.5035	+	163.0643	3.5035	68.51		(164.0716, 4856.63)(165.0739, 881.52)	FindByMolecularFeature	C9 H9 N O2	6
605.8639@6.8696666				605.8639@6.8696666	+	605.8639	6.8696666			(606.8714, 27195.46)(607.8737, 1983.31)(608.8616, 571.99)	FindByMolecularFeature		6
666.1688@1.02				666.1688@1.02	+	666.1688	1.02			(667.1775, 2432.21)(668.1785, 1444.5)(669.1683, 1895.68)(684.203, 103095.5)(685.2039, 67286.45)(686.188, 191546.53)(687.1868, 121482.21)(688.1836, 93891.59)	FindByMolecularFeature		6
710.0619@2.2053335				710.0619@2.2053335	+	710.0619	2.2053335			(711.0692, 5409.88)(712.0675, 992.01)(713.0665, 6890.91)(714.0653, 1148.65)	FindByMolecularFeature		6
791.6634@1.0201666				791.6634@1.0201666	+	791.6634	1.0201666			(792.6714, 3304.0)(793.6737, 1654.81)(794.6868, 3674.59)(795.6898, 1868.49)(796.699, 1091.08)(809.6902, 786.61)(810.709, 713.54)	FindByMolecularFeature		6
7-Oxoheptanoic acid +7.3506665	7-Oxoheptanoic acid [ C7 H12 O3, overall=75.17, db=75.17, KEGG ID=C16590, METLIN ID=71248 ]			7-Oxoheptanoic acid +7.3506665	+	161.1056	7.3506665	75.17	C16590	(162.1128, 13506.08)(163.1192, 1378.16)	FindByMolecularFeature	C7 H12 O3	6
871.825@5.6954994				871.825@5.6954994	+	871.825	5.6954994			(872.8323, 4124.14)(873.8338, 1402.1)	FindByMolecularFeature		6
8-Epiiridotrial glucoside	8-Epiiridotrial glucoside [ C16 H24 O8, overall=50.35, db=50.35, KEGG ID=C11652, METLIN ID=41168 ]			8-Epiiridotrial glucoside	+	361.1765	1.0958334	50.35	C11652	(362.1831, 3108.29)(363.1821, 1112.42)	FindByMolecularFeature	C16 H24 O8	6
8-Hydroxyadenine +2.9486666	8-Hydroxyadenine [ C5 H5 N5 O, overall=53.29, db=53.29, CAS ID=21149-26-8, METLIN ID=5527, HMP ID=HMDB00542 ]	21149-26-8		8-Hydroxyadenine +2.9486666	+	151.0509	2.9486666	53.29		(152.0585, 4906.61)(153.0633, 865.58)(154.0507, 1444.45)	FindByMolecularFeature	C5 H5 N5 O	6	HMDB00542
8-methylcaffeine +1.7191664	8-methylcaffeine [ C9 H12 N4 O2, overall=76.77, db=76.77, CAS ID=832-66-6, METLIN ID=84980 ]	832-66-6		8-methylcaffeine +1.7191664	+	230.0775	1.7191664	76.77		(231.0848, 5668.27)(232.0896, 883.76)	FindByMolecularFeature	C9 H12 N4 O2	6
9,13-dihydroxy-12-ethoxy-10-octadecenoic acid	9,13-dihydroxy-12-ethoxy-10-octadecenoic acid [ C20 H38 O5, overall=77.14, db=77.14, METLIN ID=35499 ]			9,13-dihydroxy-12-ethoxy-10-octadecenoic acid	+	358.2715	1.1801666	77.14		(381.2606, 4555.86)(382.2634, 1245.03)(359.2798, 2732.1)(360.2765, 886.39)(361.2739, 907.22)	FindByMolecularFeature	C20 H38 O5	6
9Z-Heptadecenal	9Z-Heptadecenal [ C17 H32 O, overall=81.88, db=81.88, Lipid ID=LMFA06000228, METLIN ID=46515 ]			9Z-Heptadecenal	+	252.2455	1.0836667	81.88		(253.2508, 1339.47)(270.2797, 12015.44)(271.2826, 2765.38)	FindByMolecularFeature	C17 H32 O	6		LMFA06000228
aminocaproic acid +1.2785	aminocaproic acid [ C6 H13 N O2, overall=61.74, db=61.74, CAS ID=60-32-2, KEGG ID=C02378, METLIN ID=3926 ]	60-32-2		aminocaproic acid +1.2785	+	131.0947	1.2785	61.74	C02378	(132.1021, 9410.72)(133.1038, 1771.64)	FindByMolecularFeature	C6 H13 N O2	6
AminoDHQ	AminoDHQ [ C7 H11 N O5, overall=47.60, db=47.60, CAS ID=, KEGG ID=C12109, METLIN ID=63733 ]			AminoDHQ	+	189.0641	6.067	47.6	C12109	(212.053, 7011.44)(190.0719, 4526.6)	FindByMolecularFeature	C7 H11 N O5	6
Anthopleurine	Anthopleurine [ C7 H16 N O4, overall=99.07, db=99.07, CAS ID=56595-17-6, KEGG ID=C16994, METLIN ID=71488 ]	56595-17-6		Anthopleurine	+	177.1003	6.625	99.07	C16994	(200.0902, 3954.34)(178.1075, 57427.02)(179.1112, 5096.71)(180.1114, 1050.9)	FindByMolecularFeature	C7 H16 N O4	6
Benzo[a]pyrene-trans-11,12-dihydrodiol	Benzo[a]pyrene-trans-11,12-dihydrodiol [ C20 H14 O2, overall=70.06, db=70.06, CAS ID=60657-27-4, KEGG ID=C18285, METLIN ID=72129 ]	60657-27-4		Benzo[a]pyrene-trans-11,12-dihydrodiol	+	308.0802	1.3666667	70.06	C18285	(309.087, 5971.39)(310.0961, 1611.94)	FindByMolecularFeature	C20 H14 O2	6
Biotripyrrin-b	Biotripyrrin-b [ C25 H27 N3 O6, overall=74.66, db=74.66, CAS ID=158598-18-6, METLIN ID=6882, HMP ID=HMDB03324 ]	158598-18-6		Biotripyrrin-b	+	465.1903	1.4241667	74.66		(466.1966, 2832.1)(467.2, 968.22)	FindByMolecularFeature	C25 H27 N3 O6	6	HMDB03324
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe	Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe [ C33 H44 N4 O7, overall=69.67, db=69.67, METLIN ID=65475 ]			Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe	+	608.3207	1.441	69.67		(609.328, 4421.8)(610.3308, 1578.6)(611.341, 997.47)	FindByMolecularFeature	C33 H44 N4 O7	6
C10 H14 O5	[ C10 H14 O5, overall=40.78, db=0.00, mfg=81.56 ]			C10 H14 O5	+	214.0847	1.3046665	40.78		(237.074, 1521.78)(215.0922, 5591.19)(216.0968, 867.28)(232.1183, 24143.57)(233.123, 3212.02)	FindByMolecularFeature	C10 H14 O5	6
C10 H21 Cl N2 O	[ C10 H21 Cl N2 O, overall=23.75, db=0.00, mfg=47.50 ]			C10 H21 Cl N2 O	+	220.1355	1.1805	23.75		(243.1207, 608.35)(221.1433, 1843.89)(222.1542, 644.31)(223.1337, 1243.35)(238.1679, 1923.04)	FindByMolecularFeature	C10 H21 Cl N2 O	6
C10 H4 Cl N3 O S4	[ C10 H4 Cl N3 O S4, overall=23.81, db=0.00, mfg=47.62 ]			C10 H4 Cl N3 O S4	+	344.8899	6.0488334	23.81		(345.8973, 2347.09)(346.8948, 1011.57)(362.9264, 2866.33)	FindByMolecularFeature	C10 H4 Cl N3 O S4	6
C11 H15 N3 O3	[ C11 H15 N3 O3, overall=42.25, db=0.00, mfg=84.50 ]			C11 H15 N3 O3	+	237.1125	4.081667	42.25		(238.1193, 4017.48)(255.1459, 6283.28)(256.149, 800.08)	FindByMolecularFeature	C11 H15 N3 O3	6
C11 H19 N5 O2 +6.490333	[ C11 H19 N5 O2, overall=42.40, db=0.00, mfg=84.79 ]			C11 H19 N5 O2 +6.490333	+	253.1541	6.490333	42.4		(254.1615, 7000.15)(255.1651, 912.21)	FindByMolecularFeature	C11 H19 N5 O2	6
C11 H23 N O4	[ C11 H23 N O4, overall=43.26, db=0.00, mfg=86.52 ]			C11 H23 N O4	+	233.1628	6.235333	43.26		(489.314, 4697.69)(490.3183, 983.28)(234.1699, 27093.55)(235.1736, 3647.86)	FindByMolecularFeature	C11 H23 N O4	6
C12 H19 N3 O3	[ C12 H19 N3 O3, overall=41.26, db=0.00, mfg=82.53 ]			C12 H19 N3 O3	+	253.1429	3.4308336	41.26		(276.1336, 1118.77)(254.1502, 16379.01)(255.1541, 2827.46)(271.1726, 787.34)	FindByMolecularFeature	C12 H19 N3 O3	6
C15 N O17 S3	[ C15 N O17 S3, overall=21.93, db=0.00, mfg=43.86 ]			C15 N O17 S3	+	561.8379	6.624333	21.93		(562.8452, 26651.46)(563.8479, 2796.75)(564.8358, 601.99)	FindByMolecularFeature	C15 N O17 S3	6
C16 H33 N8 O4	[ C16 H33 N8 O4, overall=42.44, db=0.00, mfg=84.87 ]			C16 H33 N8 O4	+	401.2621	2.7683334	42.44		(402.2694, 5201.56)(403.2724, 1095.65)	FindByMolecularFeature	C16 H33 N8 O4	6
C17 H47 N14 O9	[ C17 H47 N14 O9, overall=48.24, db=0.00, mfg=96.49 ]			C17 H47 N14 O9	+	591.3649	6.8845005	48.24		(592.3722, 21755.46)(593.3756, 4576.26)(594.3787, 849.71)	FindByMolecularFeature	C17 H47 N14 O9	6
C18 H Cl2 N O3 S2	[ C18 H Cl2 N O3 S2, overall=23.81, db=0.00, mfg=47.62 ]			C18 H Cl2 N O3 S2	+	412.8784	6.0051665	23.81		(413.8848, 1648.6)(430.9136, 3483.08)	FindByMolecularFeature	C18 H Cl2 N O3 S2	6
C18 O19 S2	[ C18 O19 S2, overall=22.55, db=0.00, mfg=45.10 ]			C18 O19 S2	+	583.8508	6.7573338	22.55		(584.8582, 36487.46)(585.861, 3908.19)	FindByMolecularFeature	C18 O19 S2	6
C19 H28 N4 O10 S	[ C19 H28 N4 O10 S, overall=46.47, db=0.00, mfg=92.94 ]			C19 H28 N4 O10 S	+	504.1515	2.7853334	46.47		(527.1412, 917.68)(505.1594, 8070.55)(506.1625, 1603.97)(507.165, 603.12)	FindByMolecularFeature	C19 H28 N4 O10 S	6
C22 H28 N S5	[ C22 H28 N S5, overall=36.63, db=0.00, mfg=73.26 ]			C22 H28 N S5	+	466.0817	1.0938333	36.63		(467.0908, 2883.36)(468.0908, 1093.8)(484.1159, 5230.06)(485.1156, 2133.75)(486.1134, 1879.9)	FindByMolecularFeature	C22 H28 N S5	6
C22 H37 N15 O3	[ C22 H37 N15 O3, overall=39.89, db=0.00, mfg=79.77 ]			C22 H37 N15 O3	+	559.3207	3.5738335	39.89		(560.3273, 3721.55)(561.3297, 1205.63)	FindByMolecularFeature	C22 H37 N15 O3	6
C22 H40 N11	[ C22 H40 N11, overall=37.36, db=0.00, mfg=74.73 ]			C22 H40 N11	+	458.3464	1.1068333	37.36		(459.3563, 969.28)(476.3795, 2442.74)(477.3858, 760.69)	FindByMolecularFeature	C22 H40 N11	6
C22 H52 N26	[ C22 H52 N26, overall=39.08, db=0.00, mfg=78.15 ]			C22 H52 N26	+	680.487	4.882	39.08		(681.4933, 3675.21)(682.4973, 1198.58)	FindByMolecularFeature	C22 H52 N26	6
C23 H3 O4	[ C23 H3 O4, overall=37.58, db=0.00, mfg=75.15 ]			C23 H3 O4	+	343.0023	1.6013333	37.58		(344.0102, 4990.37)(345.0119, 1487.11)	FindByMolecularFeature	C23 H3 O4	6
C23 H32	[ C23 H32, overall=32.60, db=0.00, mfg=65.21 ]			C23 H32	+	308.2508	1.2431667	32.6		(309.258, 9242.87)(310.2577, 3106.39)	FindByMolecularFeature	C23 H32	6
C23 H37 N22	[ C23 H37 N22, overall=39.13, db=0.00, mfg=78.26 ]			C23 H37 N22	+	621.356	6.7304993	39.13		(622.3636, 2895.96)(623.3678, 928.55)	FindByMolecularFeature	C23 H37 N22	6
C25 H16 N11 O14	[ C25 H16 N11 O14, overall=36.99, db=0.00, mfg=73.98 ]			C25 H16 N11 O14	+	694.0871	8.905499	36.99		(695.0944, 5008.02)(696.0979, 1658.36)	FindByMolecularFeature	C25 H16 N11 O14	6
C25 H40 N7 O2	[ C25 H40 N7 O2, overall=29.97, db=0.00, mfg=59.93 ]			C25 H40 N7 O2	+	470.3274	1.4053334	29.97		(493.3176, 2105.37)(494.3219, 926.86)(495.3311, 3094.2)(496.3413, 568.98)(497.346, 2671.2)(471.332, 2067.72)(472.3319, 919.21)(488.357, 1601.56)(489.3615, 1423.07)	FindByMolecularFeature	C25 H40 N7 O2	6
C25 H53 N11 O3	[ C25 H53 N11 O3, overall=39.83, db=0.00, mfg=79.65 ]			C25 H53 N11 O3	+	555.4343	1.6543335	39.83		(556.4413, 4324.3)(557.4435, 1384.14)	FindByMolecularFeature	C25 H53 N11 O3	6
C28 H51 Cl N5 O2	[ C28 H51 Cl N5 O2, overall=37.06, db=0.00, mfg=74.13 ]			C28 H51 Cl N5 O2	+	524.3691	1.3123332	37.06		(547.3637, 1331.9)(548.3629, 738.51)(549.3547, 1512.14)(525.3767, 2467.11)(526.381, 832.82)(527.3906, 947.57)(542.4016, 1011.51)	FindByMolecularFeature	C28 H51 Cl N5 O2	6
C28 H52 N13 O10	[ C28 H52 N13 O10, overall=49.14, db=0.00, mfg=98.29 ]			C28 H52 N13 O10	+	730.396	5.6796665	49.14		(731.4034, 14568.5)(732.4061, 5378.25)(733.4093, 1515.26)	FindByMolecularFeature	C28 H52 N13 O10	6
C29 H42 N O3	[ C29 H42 N O3, overall=38.13, db=0.00, mfg=76.27 ]			C29 H42 N O3	+	452.3169	1.3058333	38.13		(475.3063, 1412.2)(476.3111, 464.1)(453.321, 1791.98)(454.3233, 787.06)(455.3338, 1154.85)	FindByMolecularFeature	C29 H42 N O3	6
C29 H49 N21 O2	[ C29 H49 N21 O2, overall=37.25, db=0.00, mfg=74.51 ]			C29 H49 N21 O2	+	723.4376	9.0435	37.25		(724.4449, 4474.39)(725.4489, 1612.58)	FindByMolecularFeature	C29 H49 N21 O2	6
C30 H12 N3 O21 S	[ C30 H12 N3 O21 S, overall=31.82, db=0.00, mfg=63.65 ]			C30 H12 N3 O21 S	+	781.9688	7.6703334	31.82		(782.976, 4577.35)(783.979, 1172.19)	FindByMolecularFeature	C30 H12 N3 O21 S	6
C30 H50 N2 S	[ C30 H50 N2 S, overall=30.36, db=0.00, mfg=60.72 ]			C30 H50 N2 S	+	470.3718	1.3263334	30.36		(471.378, 2877.16)(472.3716, 1366.54)(473.382, 971.57)	FindByMolecularFeature	C30 H50 N2 S	6
C31 H32 N13 O3	[ C31 H32 N13 O3, overall=37.30, db=0.00, mfg=74.60 ]			C31 H32 N13 O3	+	634.275	5.9969997	37.3		(657.2627, 4776.9)(658.2693, 1961.51)(659.28, 1587.85)(635.283, 13381.29)(636.2862, 5208.06)	FindByMolecularFeature	C31 H32 N13 O3	6
C32 H42 N11 O2	[ C32 H42 N11 O2, overall=37.30, db=0.00, mfg=74.60 ]			C32 H42 N11 O2	+	612.3524	1.5163332	37.3		(613.3592, 4767.08)(614.3629, 1935.16)	FindByMolecularFeature	C32 H42 N11 O2	6
C32 H44 N4 O4 +1.4916667	[ C32 H44 N4 O4, overall=47.32, db=0.00, mfg=94.65 ]			C32 H44 N4 O4 +1.4916667	+	548.3361	1.4916667	47.32		(549.3434, 7330.97)(550.3468, 2979.73)(551.3493, 334.19)	FindByMolecularFeature	C32 H44 N4 O4	6
C34 H25 N8	[ C34 H25 N8, overall=31.87, db=0.00, mfg=63.74 ]			C34 H25 N8	+	545.2204	1.2443334	31.87		(546.2277, 2564.7)(547.2315, 1396.15)	FindByMolecularFeature	C34 H25 N8	6
C41 H29 N22 O S2	[ C41 H29 N22 O S2, overall=43.32, db=0.00, mfg=86.64 ]			C41 H29 N22 O S2	+	909.2331	1.0131667	43.32		(910.2333, 6366.58)(911.2311, 3935.49)(912.2235, 3088.35)(913.2235, 1557.57)(927.2682, 20911.53)(928.2668, 12625.73)(929.2652, 5574.58)(930.2621, 2721.69)(931.2486, 819.98)	FindByMolecularFeature	C41 H29 N22 O S2	6
C42 H41 N9 O	[ C42 H41 N9 O, overall=48.12, db=0.00, mfg=96.23 ]			C42 H41 N9 O	+	687.344	1.3354999	48.12		(710.3327, 2006.51)(688.3513, 9460.94)(689.355, 4711.34)(690.355, 1374.22)	FindByMolecularFeature	C42 H41 N9 O	6
C45 H26 N20 O2 S	[ C45 H26 N20 O2 S, overall=28.55, db=0.00, mfg=57.10 ]			C45 H26 N20 O2 S	+	910.228	1.0128334	28.55		(911.2353, 10665.65)(912.2292, 7249.61)(913.2261, 3337.58)	FindByMolecularFeature	C45 H26 N20 O2 S	6
C48 H80 O10 +1.8385	[ C48 H80 O10, overall=49.77, db=0.00, mfg=99.55 ]			C48 H80 O10 +1.8385	+	816.5756	1.8385	49.77		(839.5641, 11581.08)(840.5679, 5469.87)(841.5734, 1903.74)(817.5831, 310495.06)(818.5863, 166849.81)(819.589, 48751.39)(820.5918, 11723.48)(821.5932, 2081.02)(834.609, 81900.63)(835.6123, 41863.88)(836.6148, 13025.13)(837.6182, 2646.68)	FindByMolecularFeature	C48 H80 O10	6
C5 H2 N2 O4 S	[ C5 H2 N2 O4 S, overall=46.71, db=0.00, mfg=93.42 ]			C5 H2 N2 O4 S	+	185.9739	6.854666	46.71		(186.981, 5807.72)(187.9823, 480.62)(188.9788, 552.06)	FindByMolecularFeature	C5 H2 N2 O4 S	6
C5 H7 N O	[ C5 H7 N O, overall=38.10, db=0.00, mfg=76.20 ]			C5 H7 N O	+	97.0525	6.7260003	38.1		(98.0598, 8192.63)(99.0593, 966.03)(115.0863, 32811.71)(116.0862, 2871.56)	FindByMolecularFeature	C5 H7 N O	6
C51 H36 N17 O2 S2	[ C51 H36 N17 O2 S2, overall=37.46, db=0.00, mfg=74.92 ]			C51 H36 N17 O2 S2	+	982.27	1.0265001	37.46		(983.2756, 16528.8)(984.2731, 11028.23)(985.2729, 5106.15)	FindByMolecularFeature	C51 H36 N17 O2 S2	6
C55 H61 N9 O2	[ C55 H61 N9 O2, overall=44.31, db=0.00, mfg=88.62 ]			C55 H61 N9 O2	+	879.495	1.2735	44.31		(902.4958, 1457.24)(903.5013, 783.83)(880.5033, 4650.41)(881.5049, 3486.01)(882.509, 992.32)	FindByMolecularFeature	C55 H61 N9 O2	6
C57 H67 N O10	[ C57 H67 N O10, overall=49.90, db=0.00, mfg=99.80 ]			C57 H67 N O10	+	925.4762	1.0381666	49.9		(926.4835, 47234.8)(927.4867, 29953.59)(928.4898, 10573.83)(929.4931, 2520.41)(930.4968, 346.43)	FindByMolecularFeature	C57 H67 N O10	6
C6 H16 N O4	[ C6 H16 N O4, overall=41.97, db=0.00, mfg=83.94 ]			C6 H16 N O4	+	166.1083	6.318333	41.97		(167.1156, 64029.12)(168.1191, 6258.85)(184.1446, 2572.65)	FindByMolecularFeature	C6 H16 N O4	6
C9 H16 N2 O2	[ C9 H16 N2 O2, overall=36.17, db=0.00, mfg=72.34 ]			C9 H16 N2 O2	+	184.1214	2.0436666	36.17		(207.1097, 742.85)(185.1287, 8970.83)(186.1349, 1317.07)	FindByMolecularFeature	C9 H16 N2 O2	6
C9 H21 N O7	[ C9 H21 N O7, overall=49.36, db=0.00, mfg=98.71 ]			C9 H21 N O7	+	255.1324	2.3828335	49.36		(256.1396, 82725.09)(257.1428, 9124.76)(258.1454, 1860.25)	FindByMolecularFeature	C9 H21 N O7	6
Capryloylglycine	Capryloylglycine [ C10 H19 N O3, overall=84.38, db=84.38, CAS ID=14246-53-8, METLIN ID=5795, HMP ID=HMDB00832 ]	14246-53-8		Capryloylglycine	+	201.1369	1.4633335	84.38		(224.1274, 1058.96)(202.144, 22827.91)(203.1472, 3315.36)	FindByMolecularFeature	C10 H19 N O3	6	HMDB00832
Cassaidine +1.4556667	Cassaidine [ C24 H41 N O4, overall=69.60, db=69.60, CAS ID=26296-41-3, KEGG ID=C08669, METLIN ID=67104 ]	26296-41-3		Cassaidine +1.4556667	+	407.3035	1.4556667	69.6	C08669	(430.2873, 968.75)(408.3108, 5229.16)(409.3135, 1949.05)	FindByMolecularFeature	C24 H41 N O4	6
cholest-5,24-dien-3beta-ol 3-O-beta-D-glucopyranoside +2.3913333	cholest-5,24-dien-3beta-ol 3-O-beta-D-glucopyranoside [ C33 H54 O6, overall=70.30, db=70.30, Lipid ID=LMST01010348, METLIN ID=83949 ]			cholest-5,24-dien-3beta-ol 3-O-beta-D-glucopyranoside +2.3913333	+	546.3925	2.3913333	70.3		(547.3998, 2662.66)(548.402, 1122.26)	FindByMolecularFeature	C33 H54 O6	6		LMST01010348
Cimicifugoside	Cimicifugoside [ C37 H54 O11, overall=46.67, db=46.67, CAS ID=66176-93-0, KEGG ID=C08935, METLIN ID=67283 ]	66176-93-0		Cimicifugoside	+	691.3987	5.566	46.67	C08935	(692.4054, 4306.68)(693.4087, 1601.27)	FindByMolecularFeature	C37 H54 O11	6
cis-Zeatin +5.3156667	cis-Zeatin [ C10 H13 N5 O, overall=83.17, db=83.17, CAS ID=, KEGG ID=C15545, METLIN ID=64074 ]			cis-Zeatin +5.3156667	+	219.1124	5.3156667	83.17	C15545	(220.1196, 13683.6)(221.1236, 1806.78)	FindByMolecularFeature	C10 H13 N5 O	6
Cyclopropanecarboxylate	Cyclopropanecarboxylate [ C4 H6 O2, overall=83.81, db=83.81, CAS ID=1759-53-1, KEGG ID=C16267, METLIN ID=71167 ]	1759-53-1		Cyclopropanecarboxylate	+	103.0633	6.852667	83.81	C16267	(104.0706, 12991.69)(105.0736, 1071.0)	FindByMolecularFeature	C4 H6 O2	6
Cys Lys Asn	Cys Lys Asn [ C13 H25 N5 O5 S, overall=69.23, db=69.23, METLIN ID=22812 ]			Cys Lys Asn	+	385.1399	2.9153335	69.23		(386.1469, 6090.66)(387.1477, 1462.46)(388.1585, 915.39)	FindByMolecularFeature	C13 H25 N5 O5 S	6
d-Dethiobiotin +6.8815002	d-Dethiobiotin [ C10 H18 N2 O3, overall=76.80, db=76.80, CAS ID=533-48-2, KEGG ID=C01909, METLIN ID=3351, HMP ID=HMDB03581 ]	533-48-2		d-Dethiobiotin +6.8815002	+	214.1318	6.8815002	76.8	C01909	(215.139, 10082.37)(216.1427, 1838.87)	FindByMolecularFeature	C10 H18 N2 O3	6	HMDB03581
d-Dethiobiotin +7.7555003	d-Dethiobiotin [ C10 H18 N2 O3, overall=85.58, db=85.58, CAS ID=533-48-2, KEGG ID=C01909, METLIN ID=3351, HMP ID=HMDB03581 ]	533-48-2		d-Dethiobiotin +7.7555003	+	214.1319	7.7555003	85.58	C01909	(215.1391, 16839.59)(216.1428, 2271.66)	FindByMolecularFeature	C10 H18 N2 O3	6	HMDB03581
Dihydroxycarteolol M2	Dihydroxycarteolol M2 [ C16 H24 N2 O5, overall=77.19, db=77.19, CAS ID=, METLIN ID=1556 ]			Dihydroxycarteolol M2	+	324.1687	2.098	77.19		(325.176, 7501.27)(326.1784, 1840.87)	FindByMolecularFeature	C16 H24 N2 O5	6
Dinoflagellate luciferin	Dinoflagellate luciferin [ C33 H40 N4 O6, overall=72.42, db=72.42, KEGG ID=C19704, METLIN ID=73308 ]			Dinoflagellate luciferin	+	588.2935	1.0949999	72.42	C19704	(589.3008, 6311.29)(590.3057, 2318.71)	FindByMolecularFeature	C33 H40 N4 O6	6
Erybraedin E	Erybraedin E [ C22 H20 O4, overall=78.56, db=78.56, Lipid ID=LMPK12070010, METLIN ID=48099 ]			Erybraedin E	+	348.1355	1.4985	78.56		(349.1428, 5080.43)(350.1453, 1385.94)	FindByMolecularFeature	C22 H20 O4	6		LMPK12070010
Fenuron +4.7846665	Fenuron [ C9 H12 N2 O, overall=96.80, db=96.80, CAS ID=101-42-8, KEGG ID=C11224, METLIN ID=68925 ]	101-42-8		Fenuron +4.7846665	+	181.1216	4.7846665	96.8	C11224	(182.1289, 52286.99)(183.1328, 5457.03)(184.135, 909.19)	FindByMolecularFeature	C9 H12 N2 O	6
Feruloylagmatine	Feruloylagmatine [ C15 H22 N4 O3, overall=82.24, db=82.24, KEGG ID=C18325, METLIN ID=72156 ]			Feruloylagmatine	+	306.1692	4.715667	82.24	C18325	(307.1765, 4502.21)(308.18, 979.69)	FindByMolecularFeature	C15 H22 N4 O3	6
Furanodienone	Furanodienone [ C15 H18 O2, overall=62.51, db=62.51, CAS ID=24268-41-5, KEGG ID=C16960, METLIN ID=71463 ]	24268-41-5		Furanodienone	+	252.1122	1.5523334	62.51	C16960	(253.1201, 5460.62)(254.1201, 845.2)(255.1227, 717.78)	FindByMolecularFeature	C15 H18 O2	6
Gabaculine +6.205666	Gabaculine [ C7 H9 N O2, overall=86.36, db=86.36, CAS ID=87980-11-8, KEGG ID=C12110, METLIN ID=69310 ]	87980-11-8		Gabaculine +6.205666	+	139.0633	6.205666	86.36	C12110	(162.0496, 1027.04)(140.0706, 18878.89)(141.0727, 1468.78)	FindByMolecularFeature	C7 H9 N O2	6
Gentamicin C1a	Gentamicin C1a [ C19 H39 N5 O7, overall=94.81, db=94.81, CAS ID=26098-04-4, KEGG ID=C00908, METLIN ID=3051 ]	26098-04-4		Gentamicin C1a	+	471.2678	3.337333	94.81	C00908	(472.2751, 14821.95)(473.2794, 3603.31)(474.2802, 658.34)	FindByMolecularFeature	C19 H39 N5 O7	6
Gln Ile Glu	Gln Ile Glu [ C16 H28 N4 O7, overall=77.83, db=77.83, METLIN ID=18716 ]			Gln Ile Glu	+	410.1761	5.7173333	77.83		(411.1834, 8912.86)(412.1867, 1814.8)	FindByMolecularFeature	C16 H28 N4 O7	6
Halaminol A +3.7841666	Halaminol A [ C14 H29 N O, overall=85.02, db=85.02, Lipid ID=LMSP01080034, METLIN ID=53934 ]			Halaminol A +3.7841666	+	227.2249	3.7841666	85.02		(228.2324, 8689.24)(229.2356, 1117.34)	FindByMolecularFeature	C14 H29 N O	6		LMSP01080034
Harzianopyridone +7.529	Harzianopyridone [ C14 H19 N O5, overall=83.41, db=83.41, CAS ID=126637-69-2, KEGG ID=C10150, METLIN ID=68155 ]	126637-69-2		Harzianopyridone +7.529	+	298.1527	7.529	83.41	C10150	(299.1603, 4877.71)(300.1638, 935.0)	FindByMolecularFeature	C14 H19 N O5	6
Hippurin-1	Hippurin-1 [ C30 H48 O7, overall=42.07, db=42.07, Lipid ID=LMST01090003, METLIN ID=84246 ]			Hippurin-1	+	520.339	1.337	42.07		(543.3242, 725.6)(521.3509, 1404.55)(522.3509, 590.29)(523.3609, 1208.96)(538.3721, 1498.66)	FindByMolecularFeature	C30 H48 O7	6		LMST01090003
His Lys Met	His Lys Met [ C17 H30 N6 O4 S, overall=89.33, db=89.33, METLIN ID=16754 ]			His Lys Met	+	436.1864	1.1183333	89.33		(437.1938, 7117.3)(438.1979, 1846.47)(439.1968, 750.75)	FindByMolecularFeature	C17 H30 N6 O4 S	6
His Pro +6.0646667	His Pro [ C11 H16 N4 O3, overall=58.80, db=58.80, METLIN ID=23935 ]			His Pro +6.0646667	+	274.1032	6.0646667	58.8		(275.1105, 5748.5)(276.115, 1623.08)	FindByMolecularFeature	C11 H16 N4 O3	6
Homaline	Homaline [ C30 H42 N4 O2, overall=57.99, db=57.99, CAS ID=20410-93-9, KEGG ID=C10599, METLIN ID=68419 ]	20410-93-9		Homaline	+	512.3131	7.5955005	57.99	C10599	(513.3206, 11604.93)(514.3252, 682.07)	FindByMolecularFeature	C30 H42 N4 O2	6
Isoquinoline N-oxide	Isoquinoline N-oxide [ C9 H7 N O, overall=93.06, db=93.06, CAS ID=1532-72-5, METLIN ID=4111 ]	1532-72-5		Isoquinoline N-oxide	+	145.0528	1.4036669	93.06		(146.0601, 46289.01)(147.0634, 5438.45)(148.0738, 1308.23)	FindByMolecularFeature	C9 H7 N O	6
I-Urobilin +2.2350001	I-Urobilin [ C33 H42 N4 O6, overall=68.70, db=68.70, CAS ID=1856-98-0, KEGG ID=C05794, METLIN ID=58222, HMP ID=HMDB04160 ]	1856-98-0		I-Urobilin +2.2350001	+	590.3097	2.2350001	68.7	C05794	(591.317, 3578.62)(592.3205, 1605.06)	FindByMolecularFeature	C33 H42 N4 O6	6	HMDB04160
Kanakugiol	Kanakugiol [ C19 H20 O6, overall=55.12, db=55.12, Lipid ID=LMPK12120362, METLIN ID=52165 ]			Kanakugiol	+	344.1235	3.8726666	55.12		(367.1125, 1293.22)(345.131, 2582.13)(346.1339, 807.58)	FindByMolecularFeature	C19 H20 O6	6		LMPK12120362
Kurilensoside G	Kurilensoside G [ C32 H54 O10, overall=71.30, db=71.30, Lipid ID=LMST05050016, METLIN ID=84936 ]			Kurilensoside G	+	598.3726	6.8348336	71.3		(599.3799, 3091.06)(600.3825, 1193.78)	FindByMolecularFeature	C32 H54 O10	6		LMST05050016
L-4-Hydroxy-3-methoxy-a-methylphenylalanine +6.785834	L-4-Hydroxy-3-methoxy-a-methylphenylalanine [ C11 H15 N O4, overall=85.07, db=85.07, CAS ID=6739-31-7, METLIN ID=1219 ]	6739-31-7		L-4-Hydroxy-3-methoxy-a-methylphenylalanine +6.785834	+	225.1005	6.785834	85.07		(226.1075, 6496.1)(227.1108, 978.54)(243.1342, 2302.76)	FindByMolecularFeature	C11 H15 N O4	6
L-Adrenaline +1.8383332	L-Adrenaline [ C9 H13 N O3, overall=66.16, db=66.16, CAS ID=51-43-4, KEGG ID=C00788, METLIN ID=63502 ]	51-43-4		L-Adrenaline +1.8383332	+	183.0899	1.8383332	66.16	C00788	(184.0972, 6795.75)(185.0993, 1420.32)(201.122, 929.96)	FindByMolecularFeature	C9 H13 N O3	6
Lanceotoxin B	Lanceotoxin B [ C32 H44 O11, overall=57.33, db=57.33, CAS ID=93802-98-3, KEGG ID=C08873, METLIN ID=67238 ]	93802-98-3		Lanceotoxin B	+	604.2892	1.4191666	57.33	C08873	(627.277, 745.44)(605.2965, 9982.65)(606.2997, 4334.98)(607.3106, 3175.79)	FindByMolecularFeature	C32 H44 O11	6
L-Homotyrosine +6.0679994	L-Homotyrosine [ C10 H13 N O3, overall=59.52, db=59.52, KEGG ID=C18622, METLIN ID=72416 ]			L-Homotyrosine +6.0679994	+	195.0902	6.0679994	59.52	C18622	(196.0973, 8562.92)(197.0962, 1862.24)(213.1264, 1822.7)	FindByMolecularFeature	C10 H13 N O3	6
L-prolyl-L-glycine +5.375	L-prolyl-L-glycine [ C7 H12 N2 O3, overall=87.28, db=87.28, METLIN ID=62025, HMP ID=HMDB11178 ]			L-prolyl-L-glycine +5.375	+	172.0848	5.375	87.28		(195.0741, 7456.55)(173.0921, 60245.08)(174.0954, 5433.88)	FindByMolecularFeature	C7 H12 N2 O3	6	HMDB11178
Lupanyl Acid	Lupanyl Acid [ C14 H24 N2 O2, overall=61.19, db=61.19, CAS ID=, METLIN ID=44429 ]			Lupanyl Acid	+	252.1839	6.015	61.19		(253.1912, 2681.03)(254.1935, 900.51)	FindByMolecularFeature	C14 H24 N2 O2	6
MEGA	MEGA [ C19 H23 N3 O2, overall=46.25, db=46.25, KEGG ID=C11483, METLIN ID=69059 ]			MEGA	+	325.179	1.5701666	46.25	C11483	(348.1676, 600.55)(326.1874, 1587.9)(343.2122, 4421.47)	FindByMolecularFeature	C19 H23 N3 O2	6
Met Ala	Met Ala [ C8 H16 N2 O3 S, overall=50.51, db=50.51, METLIN ID=23949 ]			Met Ala	+	237.1135	1.3128333	50.51		(238.1208, 4840.14)(239.1224, 1502.99)	FindByMolecularFeature	C8 H16 N2 O3 S	6
Metalaxyl +6.3266664	Metalaxyl [ C15 H21 N O4, overall=65.49, db=65.49, CAS ID=57837-19-1, KEGG ID=C10947, METLIN ID=68712 ]	57837-19-1		Metalaxyl +6.3266664	+	296.1738	6.3266664	65.49	C10947	(297.1811, 6280.34)(298.1845, 1930.77)	FindByMolecularFeature	C15 H21 N O4	6
Metamitron	Metamitron [ C10 H10 N4 O, overall=90.25, db=90.25, CAS ID=41394-05-2, KEGG ID=C10930, METLIN ID=68697 ]	41394-05-2		Metamitron	+	202.0846	2.3843334	90.25	C10930	(203.0921, 9290.5)(204.0945, 1348.3)(205.0967, 530.76)	FindByMolecularFeature	C10 H10 N4 O	6
Methylenediurea	Methylenediurea [ C3 H8 N4 O2, overall=61.86, db=61.86, KEGG ID=C06381, METLIN ID=66388 ]			Methylenediurea	+	132.0651	3.5649998	61.86	C06381	(155.0544, 3220.51)(156.0661, 845.29)(133.0721, 6144.07)(134.0766, 801.72)	FindByMolecularFeature	C3 H8 N4 O2	6
MID42017:26,26,26,27,27,27-hexafluoro-25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / 26,26,26,	MID42017:26,26,26,27,27,27-hexafluoro-25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / 26,26,26, [ C27 H32 F6 O2, overall=66.31, db=66.31, Lipid ID=LMST03020077, METLIN ID=42017 ]			MID42017:26,26,26,27,27,27-hexafluoro-25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / 26,26,26,	+	524.2106	1.182	66.31		(525.2173, 8548.34)(526.2198, 3696.09)(527.2222, 1002.9)	FindByMolecularFeature	C27 H32 F6 O2	6		LMST03020077
N-Acetyl-DL-methionine	N-Acetyl-DL-methionine [ C7 H13 N O3 S, overall=77.44, db=77.44, CAS ID=1115-47-5, METLIN ID=62466, HMP ID=HMDB11745 ]	1115-47-5		N-Acetyl-DL-methionine	+	191.062	2.0216665	77.44		(192.0693, 7268.84)(193.0715, 590.78)	FindByMolecularFeature	C7 H13 N O3 S	6	HMDB11745
N-isovalerylglycine +6.6409993	N-isovalerylglycine [ C7 H13 N O3, overall=80.16, db=80.16, CAS ID=16284-60-9, METLIN ID=4128 ]	16284-60-9		N-isovalerylglycine +6.6409993	+	159.0901	6.6409993	80.16		(160.0971, 15302.13)(161.1005, 1985.71)	FindByMolecularFeature	C7 H13 N O3	6
N-Nitrosodi-n-butylamine	N-Nitrosodi-n-butylamine [ C8 H18 N2 O, overall=87.18, db=87.18, CAS ID=924-16-3, KEGG ID=C19277, METLIN ID=72995 ]	924-16-3		N-Nitrosodi-n-butylamine	+	158.1418	5.7596664	87.18	C19277	(181.1321, 1548.41)(159.1493, 31701.38)(160.1526, 3356.44)	FindByMolecularFeature	C8 H18 N2 O	6
Nordihydrocodeine	Nordihydrocodeine [ C17 H21 N O3, overall=60.83, db=60.83, CAS ID=845-69-2, METLIN ID=2094 ]	845-69-2		Nordihydrocodeine	+	287.152	1.1673334	60.83		(288.1593, 6176.76)(289.1678, 1232.23)(290.1693, 810.95)	FindByMolecularFeature	C17 H21 N O3	6
Otonecine +2.2245	Otonecine [ C9 H15 N O3, overall=69.23, db=69.23, CAS ID=6887-34-9, KEGG ID=C10356, METLIN ID=68272 ]	6887-34-9		Otonecine +2.2245	+	185.1052	2.2245	69.23	C10356	(186.1125, 8617.69)(187.1147, 1684.1)	FindByMolecularFeature	C9 H15 N O3	6
Perindoprilat lactam A +1.43	Perindoprilat lactam A [ C17 H26 N2 O4, overall=65.26, db=65.26, CAS ID=129970-99-6, METLIN ID=1800 ]	129970-99-6		Perindoprilat lactam A +1.43	+	322.1893	1.43	65.26		(323.1965, 4215.97)(324.1984, 1135.82)(325.1998, 1239.63)	FindByMolecularFeature	C17 H26 N2 O4	6
PG(O-20:0/20:5(5Z,8Z,11Z,14Z,17Z))	PG(O-20:0/20:5(5Z,8Z,11Z,14Z,17Z)) [ C46 H83 O9 P, overall=52.87, db=52.87, Lipid ID=LMGP04020064, METLIN ID=79875 ]			PG(O-20:0/20:5(5Z,8Z,11Z,14Z,17Z))	+	810.5825	1.3355001	52.87		(833.5729, 1076.99)(811.5907, 4354.21)(812.5933, 1751.05)(813.5983, 1025.95)(828.6142, 1668.74)(829.6047, 863.43)(830.6016, 713.08)	FindByMolecularFeature	C46 H83 O9 P	6		LMGP04020064
Phenyl glucuronide +1.3334999	Phenyl glucuronide [ C12 H14 O7, overall=81.32, db=81.32, CAS ID=17685-05-1, METLIN ID=1825 ]	17685-05-1		Phenyl glucuronide +1.3334999	+	270.0744	1.3334999	81.32		(293.0629, 854.42)(271.0821, 7426.34)(272.0847, 1160.11)	FindByMolecularFeature	C12 H14 O7	6
PI(22:2(13Z,16Z)/0:0)	PI(22:2(13Z,16Z)/0:0) [ C31 H57 O12 P, overall=13.34, db=13.34, Lipid ID=LMGP06050023, METLIN ID=81188 ]			PI(22:2(13Z,16Z)/0:0)	+	652.3567	1.6891667	13.34		(675.3457, 1628.18)(653.3639, 3183.08)(654.3628, 1240.18)(655.3451, 920.41)	FindByMolecularFeature	C31 H57 O12 P	6		LMGP06050023
Piperidione +2.4236667	Piperidione [ C9 H15 N O2, overall=84.34, db=84.34, CAS ID=77-03-2, KEGG ID=C17730, METLIN ID=71886 ]	77-03-2		Piperidione +2.4236667	+	186.1371	2.4236667	84.34	C17730	(187.1443, 16587.8)(188.1475, 2296.91)	FindByMolecularFeature	C9 H15 N O2	6
Polidocanol	Polidocanol [ C30 H62 O10, overall=72.64, db=72.64, CAS ID=3055-99-0, KEGG ID=C13493, METLIN ID=69582 ]	3055-99-0		Polidocanol	+	599.4606	1.8218335	72.64	C13493	(600.4684, 3477.78)(601.4706, 1287.56)	FindByMolecularFeature	C30 H62 O10	6
Polygonolide +1.7611666	Polygonolide [ C12 H12 O4, overall=67.61, db=67.61, CAS ID=100560-66-5, KEGG ID=C09963, METLIN ID=68050 ]	100560-66-5		Polygonolide +1.7611666	+	237.1009	1.7611666	67.61	C09963	(238.1081, 4405.38)(239.1107, 1050.78)	FindByMolecularFeature	C12 H12 O4	6
Powelline +6.5831666	Powelline [ C17 H19 N O4, overall=69.19, db=69.19, CAS ID=7363-25-9, KEGG ID=C12163, METLIN ID=69333 ]	7363-25-9		Powelline +6.5831666	+	318.1581	6.5831666	69.19	C12163	(319.1651, 6325.44)(320.1692, 1128.59)(321.1754, 902.05)	FindByMolecularFeature	C17 H19 N O4	6
Procaterol +1.2671667	Procaterol [ C16 H22 N2 O3, overall=57.64, db=57.64, CAS ID=59828-07-8, METLIN ID=44346 ]	59828-07-8		Procaterol +1.2671667	+	290.1638	1.2671667	57.64		(313.1521, 989.46)(291.1714, 4231.06)(292.1727, 1493.54)	FindByMolecularFeature	C16 H22 N2 O3	6
Prohydrojasmon +1.1158333	Prohydrojasmon [ C15 H26 O3, overall=48.36, db=48.36, CAS ID=178602-66-9, KEGG ID=C18538, METLIN ID=72344 ]	178602-66-9		Prohydrojasmon +1.1158333	+	254.1884	1.1158333	48.36	C18538	(255.196, 3117.2)(272.2224, 4662.77)(273.228, 2608.27)	FindByMolecularFeature	C15 H26 O3	6
Prohydrojasmon +1.1356667	Prohydrojasmon [ C15 H26 O3, overall=49.58, db=49.58, CAS ID=178602-66-9, KEGG ID=C18538, METLIN ID=72344 ]	178602-66-9		Prohydrojasmon +1.1356667	+	271.2143	1.1356667	49.58	C18538	(272.2225, 5555.7)(273.2293, 2426.87)(274.2309, 882.8)	FindByMolecularFeature	C15 H26 O3	6
Propionyl-L-carnitine	Propionyl-L-carnitine [ C10 H20 N O4, overall=65.47, db=65.47, CAS ID=20064-19-1, KEGG ID=C03017, METLIN ID=965 ]	20064-19-1		Propionyl-L-carnitine	+	200.1048	1.2073334	65.47	C03017	(223.0945, 971.45)(201.1108, 3322.15)(202.1138, 883.04)(218.1394, 6421.51)(219.1431, 1484.12)(220.1389, 839.72)	FindByMolecularFeature	C10 H20 N O4	6
PS(19:0/0:0) +6.5103335	PS(19:0/0:0) [ C25 H50 N O9 P, overall=83.67, db=83.67, Lipid ID=LMGP03050028, METLIN ID=78855 ]			PS(19:0/0:0) +6.5103335	+	539.3232	6.5103335	83.67		(540.3304, 36788.18)(541.3335, 6615.98)(542.336, 770.4)	FindByMolecularFeature	C25 H50 N O9 P	6		LMGP03050028
Secnidazole	Secnidazole [ C7 H11 N3 O3, overall=83.23, db=83.23, CAS ID=3366-95-8, METLIN ID=43554 ]	3366-95-8		Secnidazole	+	185.0802	3.522667	83.23		(186.0875, 15538.07)(187.0915, 1603.75)	FindByMolecularFeature	C7 H11 N3 O3	6
Sphingofungin E	Sphingofungin E [ C21 H39 N O7, overall=71.17, db=71.17, Lipid ID=LMSP01080065, METLIN ID=53965 ]			Sphingofungin E	+	417.2709	1.0939999	71.17		(418.2782, 3978.95)(419.28, 818.95)	FindByMolecularFeature	C21 H39 N O7	6		LMSP01080065
TG(16:1(9Z)/18:0/18:1(9Z))[iso6]	TG(16:1(9Z)/18:0/18:1(9Z))[iso6] [ C55 H102 O6, overall=71.44, db=71.44, Lipid ID=LMGL03010101, CAS ID=, METLIN ID=4799 ]			TG(16:1(9Z)/18:0/18:1(9Z))[iso6]	+	875.7933	1.1851667	71.44		(876.8002, 2315.41)(877.8051, 1444.36)(878.8098, 1044.82)	FindByMolecularFeature	C55 H102 O6	6		LMGL03010101
Thalsimine	Thalsimine [ C38 H40 N2 O7, overall=70.66, db=70.66, CAS ID=5525-36-0, KEGG ID=C09661, METLIN ID=67869 ]	5525-36-0		Thalsimine	+	636.2793	1.36	70.66	C09661	(637.2859, 6870.6)(638.2916, 2659.15)(639.2957, 884.61)	FindByMolecularFeature	C38 H40 N2 O7	6
Trichostatin A +1.4079999	Trichostatin A [ C17 H22 N2 O3, overall=75.04, db=75.04, Lipid ID=LMPK01000055, CAS ID=58880-19-6, METLIN ID=46755 ]	58880-19-6		Trichostatin A +1.4079999	+	302.1627	1.4079999	75.04		(303.1698, 7581.0)(304.1743, 1721.12)(305.1738, 1059.45)	FindByMolecularFeature	C17 H22 N2 O3	6		LMPK01000055
Trichostatin A +1.7003335	Trichostatin A [ C17 H22 N2 O3, overall=69.43, db=69.43, Lipid ID=LMPK01000055, CAS ID=58880-19-6, METLIN ID=46755 ]	58880-19-6		Trichostatin A +1.7003335	+	302.1633	1.7003335	69.43		(303.1706, 8280.59)(304.1735, 2518.21)	FindByMolecularFeature	C17 H22 N2 O3	6		LMPK01000055
Trinexapac-ethyl	Trinexapac-ethyl [ C13 H16 O5, overall=54.72, db=54.72, CAS ID=95266-40-3, KEGG ID=C18541, METLIN ID=72347 ]	95266-40-3		Trinexapac-ethyl	+	269.1265	7.087667	54.72	C18541	(270.1338, 4404.58)(271.139, 1496.52)	FindByMolecularFeature	C13 H16 O5	6
Tyr Leu +6.9038334	Tyr Leu [ C15 H22 N2 O4, overall=82.26, db=82.26, METLIN ID=24037 ]			Tyr Leu +6.9038334	+	294.1579	6.9038334	82.26		(295.1653, 7813.06)(296.1687, 1655.92)	FindByMolecularFeature	C15 H22 N2 O4	6
Val Asp Gly +6.9065	Val Asp Gly [ C11 H19 N3 O6, overall=85.09, db=85.09, METLIN ID=18123 ]			Val Asp Gly +6.9065	+	289.1275	6.9065	85.09		(290.1347, 15956.0)(291.1375, 2457.75)	FindByMolecularFeature	C11 H19 N3 O6	6
Val Tyr +6.113333	Val Tyr [ C14 H20 N2 O4, overall=86.27, db=86.27, METLIN ID=23812 ]			Val Tyr +6.113333	+	297.1687	6.113333	86.27		(298.176, 7478.18)(299.1792, 1165.06)	FindByMolecularFeature	C14 H20 N2 O4	6
Val Val +7.144833	Val Val [ C10 H20 N2 O3, overall=75.91, db=75.91, METLIN ID=23988 ]			Val Val +7.144833	+	216.1475	7.144833	75.91		(217.1547, 5805.32)(218.1571, 1085.43)	FindByMolecularFeature	C10 H20 N2 O3	6
V-PYRRO/NO +6.7351665	V-PYRRO/NO [ C6 H11 N3 O2, overall=82.02, db=82.02, CAS ID=179344-98-0, METLIN ID=62984 ]	179344-98-0		V-PYRRO/NO +6.7351665	+	157.085	6.7351665	82.02		(158.0925, 9664.57)(159.0944, 1132.6)	FindByMolecularFeature	C6 H11 N3 O2	6
(-)-Asbestinine 2	(-)-Asbestinine 2 [ C28 H44 O6, overall=64.41, db=64.41, METLIN ID=53662 ]			(-)-Asbestinine 2	+	476.3133	1.3288	64.41		(477.3201, 2680.27)(478.3235, 1167.65)(494.3507, 683.75)	FindByMolecularFeature	C28 H44 O6	5
(+)-3,7(11)-Acoradiene	(+)-3,7(11)-Acoradiene [ C15 H22 O, overall=63.81, db=63.81, METLIN ID=53522 ]			(+)-3,7(11)-Acoradiene	+	218.1678	4.0362	63.81		(459.3269, 596.68)(219.1745, 2582.73)(220.1765, 753.96)	FindByMolecularFeature	C15 H22 O	5
(2-Naphthyl)methanol	(2-Naphthyl)methanol [ C11 H10 O, overall=38.88, db=38.88, CAS ID=1592-38-7, KEGG ID=C02909, METLIN ID=65858 ]	1592-38-7		(2-Naphthyl)methanol	+	158.0756	1.6872	38.88	C02909	(159.0828, 6459.93)(160.0922, 1068.2)(176.1089, 1276.58)(317.1532, 1238.76)	FindByMolecularFeature	C11 H10 O	5
(S)-ATPA +7.7368	(S)-ATPA [ C10 H16 N2 O4, overall=69.59, db=69.59, KEGG ID=C13733, METLIN ID=69667 ]			(S)-ATPA +7.7368	+	228.1114	7.7368	69.59	C13733	(229.1187, 5562.8)(230.12, 1107.17)	FindByMolecularFeature	C10 H16 N2 O4	5
(S)-Piperidine-2-carboxamide +9.182401	(S)-Piperidine-2-carboxamide [ C6 H12 N2 O, overall=65.77, db=65.77, KEGG ID=C19809, METLIN ID=73373 ]			(S)-Piperidine-2-carboxamide +9.182401	+	128.0948	9.182401	65.77	C19809	(129.1021, 8537.07)(130.1035, 1414.15)	FindByMolecularFeature	C6 H12 N2 O	5
1,2-Propanediol, 3-[[2-(2-methoxyphenoxy)ethyl]amino]	1,2-Propanediol, 3-[[2-(2-methoxyphenoxy)ethyl]amino] [ C12 H19 N O4, overall=64.21, db=64.21, CAS ID=10461-27-5, METLIN ID=1573 ]	10461-27-5		1,2-Propanediol, 3-[[2-(2-methoxyphenoxy)ethyl]amino]	+	258.1583	6.5546	64.21		(259.1654, 6725.11)(260.1687, 1895.92)	FindByMolecularFeature	C12 H19 N O4	5
1,5-Naphthalenediamine +1.5698	1,5-Naphthalenediamine [ C10 H10 N2, overall=53.65, db=53.65, CAS ID=2243-62-1, KEGG ID=C19463, METLIN ID=73157 ]	2243-62-1		1,5-Naphthalenediamine +1.5698	+	180.0654	1.5698	53.65	C19463	(181.0727, 8120.45)(182.0803, 2181.1)	FindByMolecularFeature	C10 H10 N2	5
10-Hydroxymorroniside	10-Hydroxymorroniside [ C17 H26 O12, overall=80.60, db=80.60, KEGG ID=C11660, METLIN ID=69148 ]			10-Hydroxymorroniside	+	422.1398	5.6921997	80.6	C11660	(423.1471, 12313.41)(424.1506, 2510.73)(425.1529, 1080.96)	FindByMolecularFeature	C17 H26 O12	5
10-oxo-nonadecanoic acid	10-oxo-nonadecanoic acid [ C19 H36 O3, overall=38.68, db=38.68, Lipid ID=LMFA01060128, METLIN ID=74766 ]			10-oxo-nonadecanoic acid	+	312.2659	1.1138	38.68		(313.2731, 2199.64)(314.2725, 1211.83)	FindByMolecularFeature	C19 H36 O3	5		LMFA01060128
11(S)-HEPE	11(S)-HEPE [ C20 H30 O3, overall=80.63, db=80.63, METLIN ID=45644 ]			11(S)-HEPE	+	318.2192	1.1340001	80.63		(319.2265, 12191.49)(320.231, 3123.01)(336.252, 2129.55)	FindByMolecularFeature	C20 H30 O3	5
1131.3047@1.0552				1131.3047@1.0552	+	1131.3047	1.0552			(1132.3119, 6241.98)(1133.3112, 3435.18)(1134.3108, 1805.91)(1149.3236, 9589.3)(1150.3226, 5891.11)(1151.3195, 3695.12)(1152.3176, 1808.7)	FindByMolecularFeature		5
1148.316@1.0064				1148.316@1.0064	+	1148.316	1.0064			(1149.323, 8592.91)(1150.3228, 5653.22)(1151.3193, 2646.6)	FindByMolecularFeature		5
11-lauroleic acid +1.2702	11-lauroleic acid [ C12 H22 O2, overall=43.43, db=43.43, Lipid ID=LMFA01030043, METLIN ID=34732 ]			11-lauroleic acid +1.2702	+	198.1649	1.2702	43.43		(221.1535, 1319.91)(419.3145, 1349.06)(420.3286, 802.3)(199.1702, 9298.92)	FindByMolecularFeature	C12 H22 O2	5		LMFA01030043
1202.326@1.1001999				1202.326@1.1001999	+	1202.326	1.1001999			(1203.3333, 2531.07)(1204.3322, 2284.18)(1205.3328, 1974.22)	FindByMolecularFeature		5
13,14-dihydro-15-keto Prostaglandin J2	13,14-dihydro-15-keto Prostaglandin J2 [ C20 H30 O4, overall=73.81, db=73.81, METLIN ID=45147 ]			13,14-dihydro-15-keto Prostaglandin J2	+	167.1072	5.2200003	73.81		(168.1141, 4960.16)(169.1243, 848.78)(335.2231, 5416.81)(336.2281, 1099.89)	FindByMolecularFeature	C20 H30 O4	5
1381.7285@5.7016				1381.7285@5.7016	+	1381.7285	5.7016			(1382.7354, 3193.35)(1383.7413, 777.2)	FindByMolecularFeature		5
13Z-octadecenoic acid	13Z-octadecenoic acid [ C18 H34 O2, overall=54.04, db=54.04, Lipid ID=LMFA01030290, METLIN ID=34954 ]			13Z-octadecenoic acid	+	282.2567	1.0680001	54.04		(305.2488, 1465.35)(283.2627, 1748.83)(284.2637, 624.43)(565.5187, 1175.3)	FindByMolecularFeature	C18 H34 O2	5		LMFA01030290
14E-Octadecenal	14E-Octadecenal [ C18 H34 O, overall=40.79, db=40.79, Lipid ID=LMFA06000231, METLIN ID=46517 ]			14E-Octadecenal	+	266.2585	1.1064	40.79		(267.2653, 2579.3)(268.2681, 845.54)(284.295, 2122.98)	FindByMolecularFeature	C18 H34 O	5		LMFA06000231
15(R)-17-phenyl trinor PGF2? isopropyl ester	15(R)-17-phenyl trinor PGF2? isopropyl ester [ C26 H38 O5, overall=78.91, db=78.91, CAS ID=130273-87-9, METLIN ID=45718 ]	130273-87-9		15(R)-17-phenyl trinor PGF2? isopropyl ester	+	430.27	1.6417999	78.91		(431.2784, 5744.24)(432.2813, 2109.68)(433.2831, 901.3)	FindByMolecularFeature	C26 H38 O5	5
173.1413@5.8785996				173.1413@5.8785996	+	173.1413	5.8785996			(174.1484, 2369.96)(175.1465, 320.05)(176.1376, 929.07)	FindByMolecularFeature		5
2,3,5-Trimethacarb +5.9592	2,3,5-Trimethacarb [ C11 H15 N O2, overall=91.48, db=91.48, CAS ID=2655-15-4, KEGG ID=C18957, METLIN ID=72717 ]	2655-15-4		2,3,5-Trimethacarb +5.9592	+	193.1105	5.9592	91.48	C18957	(194.1178, 43507.38)(195.1219, 6854.72)(196.1306, 1101.67)(211.1422, 1153.2)	FindByMolecularFeature	C11 H15 N O2	5
2,3-dinor, 6-keto-PGF1?	2,3-dinor, 6-keto-PGF1? [ C18 H30 O6, overall=64.00, db=64.00, Lipid ID=LMFA03010089, METLIN ID=36156 ]			2,3-dinor, 6-keto-PGF1?	+	359.2306	1.0639999	64		(360.2379, 3382.8)(361.2414, 1207.23)	FindByMolecularFeature	C18 H30 O6	5		LMFA03010089
2,4,6,8,10-dodecapentaenal	2,4,6,8,10-dodecapentaenal [ C12 H14 O, overall=37.44, db=37.44, Lipid ID=LMFA06000073, METLIN ID=75350 ]			2,4,6,8,10-dodecapentaenal	+	174.1049	1.6646	37.44		(197.0932, 1086.83)(175.1132, 4313.95)	FindByMolecularFeature	C12 H14 O	5		LMFA06000073
2,4-Diamino-6,7-dimethoxyquinazoline	2,4-Diamino-6,7-dimethoxyquinazoline [ C10 H12 N4 O2, overall=58.80, db=58.80, CAS ID=60547-96-8, METLIN ID=2461 ]	60547-96-8		2,4-Diamino-6,7-dimethoxyquinazoline	+	220.0943	6.0582	58.8		(221.1024, 2854.92)(222.1109, 793.27)(238.1264, 1376.52)(441.1961, 9410.8)(442.1989, 1878.76)(443.2011, 807.95)	FindByMolecularFeature	C10 H12 N4 O2	5
2,5-Dichloro-4-oxohex-2-enedioate +5.9761996	2,5-Dichloro-4-oxohex-2-enedioate [ C6 H4 Cl2 O5, overall=57.13, db=57.13, KEGG ID=C12835, METLIN ID=69492 ]			2,5-Dichloro-4-oxohex-2-enedioate +5.9761996	+	225.9443	5.9761996	57.13	C12835	(226.9516, 11282.76)(227.9547, 1030.82)	FindByMolecularFeature	C6 H4 Cl2 O5	5
2,5-undecadienal +7.4126	2,5-undecadienal [ C11 H18 O, overall=73.37, db=73.37, METLIN ID=36588 ]			2,5-undecadienal +7.4126	+	188.1165	7.4126	73.37		(189.1238, 8381.05)(190.1365, 1362.61)	FindByMolecularFeature	C11 H18 O	5
24S-methylcholest-22E-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25,28-nonol	24S-methylcholest-22E-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25,28-nonol [ C28 H48 O9, overall=79.48, db=79.48, Lipid ID=LMST01031079, METLIN ID=84029 ]			24S-methylcholest-22E-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25,28-nonol	+	528.3311	1.8096001	79.48		(529.3385, 7216.83)(530.3434, 2727.4)(531.349, 722.14)(546.3706, 526.27)	FindByMolecularFeature	C28 H48 O9	5		LMST01031079
276.9668@2.7870002				276.9668@2.7870002	+	276.9668	2.7870002			(277.9748, 3224.23)(278.9766, 1060.13)	FindByMolecularFeature		5
2-Amino-4-oxo-6-(erythro-1,2,3-trihydroxyprolyl)-7,8-dihydroxypteridine triphosphate	2-Amino-4-oxo-6-(erythro-1,2,3-trihydroxyprolyl)-7,8-dihydroxypteridine triphosphate [ C9 H16 N5 O15 P3, overall=60.56, db=60.56, METLIN ID=5984, HMP ID=HMDB01073 ]			2-Amino-4-oxo-6-(erythro-1,2,3-trihydroxyprolyl)-7,8-dihydroxypteridine triphosphate	+	526.9884	7.6535997	60.56		(527.9956, 12630.48)(528.9995, 725.13)	FindByMolecularFeature	C9 H16 N5 O15 P3	5	HMDB01073
2-Amino-5-oxohexanoate	2-Amino-5-oxohexanoate [ C6 H11 N O3, overall=99.71, db=99.71, CAS ID=, KEGG ID=C05825, METLIN ID=63460 ]			2-Amino-5-oxohexanoate	+	145.0739	6.4882	99.71	C05825	(168.0633, 39550.89)(169.0661, 3344.94)(313.1383, 2132.57)(314.1393, 690.05)(146.0813, 674696.6)(147.0845, 49151.13)(148.0907, 3709.55)	FindByMolecularFeature	C6 H11 N O3	5
2-amino-8-oxo-9,10-epoxy-decanoic acid +2.8276	2-amino-8-oxo-9,10-epoxy-decanoic acid [ C10 H17 N O4, overall=82.56, db=82.56, KEGG ID=C12027, METLIN ID=35859 ]			2-amino-8-oxo-9,10-epoxy-decanoic acid +2.8276	+	215.116	2.8276	82.56	C12027	(238.1073, 1479.31)(216.1233, 10204.18)(217.1252, 1418.45)	FindByMolecularFeature	C10 H17 N O4	5
2-oxo-docosanoic acid +1.0406001	2-oxo-docosanoic acid [ C22 H42 O3, overall=47.57, db=47.57, METLIN ID=35830 ]			2-oxo-docosanoic acid +1.0406001	+	354.313	1.0406001	47.57		(355.3208, 2623.08)(372.3442, 1557.15)	FindByMolecularFeature	C22 H42 O3	5
2-oxo-docosanoic acid +4.238	2-oxo-docosanoic acid [ C22 H42 O3, overall=83.24, db=83.24, METLIN ID=35830 ]			2-oxo-docosanoic acid +4.238	+	371.3396	4.238	83.24		(372.3469, 8568.37)(373.35, 2215.41)	FindByMolecularFeature	C22 H42 O3	5
2-Phenylbutyramide	2-Phenylbutyramide [ C10 H13 N O, overall=62.09, db=62.09, CAS ID=90-26-6, METLIN ID=2085 ]	90-26-6		2-Phenylbutyramide	+	163.0999	5.0096	62.09		(164.107, 6748.93)(165.1098, 1839.79)	FindByMolecularFeature	C10 H13 N O	5
2R-aminoheptanoic acid +6.2402	2R-aminoheptanoic acid [ C7 H15 N O2, overall=83.29, db=83.29, METLIN ID=35932 ]			2R-aminoheptanoic acid +6.2402	+	145.1101	6.2402	83.29		(146.1174, 25498.55)(147.1196, 2735.77)	FindByMolecularFeature	C7 H15 N O2	5
2-tridecene-4,7-diynal	2-tridecene-4,7-diynal [ C13 H16 O, overall=71.51, db=71.51, Lipid ID=LMFA06000077, METLIN ID=75354 ]			2-tridecene-4,7-diynal	+	210.1031	1.1102	71.51		(211.1104, 6856.14)(212.1141, 685.58)(213.1117, 595.42)	FindByMolecularFeature	C13 H16 O	5		LMFA06000077
3-(6'-Methylthio)hexylmalic acid +2.389	3-(6'-Methylthio)hexylmalic acid [ C11 H20 O5 S, overall=85.14, db=85.14, CAS ID=, KEGG ID=C17227, METLIN ID=64506 ]			3-(6'-Methylthio)hexylmalic acid +2.389	+	281.1289	2.389	85.14	C17227	(282.1361, 19692.72)(283.1417, 2725.6)(284.1363, 2193.58)	FindByMolecularFeature	C11 H20 O5 S	5
336.2449@1.2414				336.2449@1.2414	+	336.2449	1.2414			(337.2522, 4783.68)(338.249, 2122.56)(339.2536, 1304.12)	FindByMolecularFeature		5
3-Aminobenzamide	3-Aminobenzamide [ C7 H8 N2 O, overall=83.54, db=83.54, CAS ID=3544-24-9, METLIN ID=44363 ]	3544-24-9		3-Aminobenzamide	+	136.0636	6.2732	83.54		(137.0708, 13158.85)(138.0735, 1586.41)	FindByMolecularFeature	C7 H8 N2 O	5
3-Dehydrocarnitine +6.4708	3-Dehydrocarnitine [ C7 H14 N O3, overall=76.61, db=76.61, CAS ID=10457-99-5, KEGG ID=C02636, METLIN ID=958 ]	10457-99-5		3-Dehydrocarnitine +6.4708	+	159.09	6.4708	76.61	C02636	(182.0824, 1328.33)(160.0973, 7680.46)(161.0984, 921.42)	FindByMolecularFeature	C7 H14 N O3	5
3-methoxy Prostaglandin F1?	3-methoxy Prostaglandin F1? [ C21 H38 O6, overall=33.17, db=33.17, CAS ID=54432-43-8, METLIN ID=45613 ]	54432-43-8		3-methoxy Prostaglandin F1?	+	403.2939	1.0882	33.17		(404.3036, 1921.71)(405.3017, 1025.26)(406.3148, 1283.88)	FindByMolecularFeature	C21 H38 O6	5
3-Methoxyestra-1,3,5(10),16-tetraene	3-Methoxyestra-1,3,5(10),16-tetraene [ C19 H24 O, overall=67.16, db=67.16, KEGG ID=C15107, METLIN ID=70600 ]			3-Methoxyestra-1,3,5(10),16-tetraene	+	290.1654	1.3262	67.16	C15107	(291.1726, 2685.34)(292.1746, 777.71)(293.1799, 1160.97)	FindByMolecularFeature	C19 H24 O	5
3-O-Methylrimiterol +7.7005997	3-O-Methylrimiterol [ C13 H19 N O3, overall=63.17, db=63.17, CAS ID=32459-45-3, METLIN ID=2336 ]	32459-45-3		3-O-Methylrimiterol +7.7005997	+	259.1174	7.7005997	63.17		(260.1248, 4329.53)(261.1289, 1182.02)	FindByMolecularFeature	C13 H19 N O3	5
3-oxo-nonanoic acid +4.9768	3-oxo-nonanoic acid [ C9 H16 O3, overall=53.93, db=53.93, METLIN ID=35844 ]			3-oxo-nonanoic acid +4.9768	+	189.1366	4.9768	53.93		(190.1439, 4092.24)(191.1534, 734.39)(192.1447, 975.98)	FindByMolecularFeature	C9 H16 O3	5
3S-hydroxy-dodecanoic acid	3S-hydroxy-dodecanoic acid [ C12 H24 O3, overall=72.03, db=72.03, METLIN ID=35607 ]			3S-hydroxy-dodecanoic acid	+	216.173	1.4094	72.03		(455.3326, 1055.11)(217.1803, 4797.17)(218.1829, 513.32)(219.1883, 567.76)	FindByMolecularFeature	C12 H24 O3	5
415.3584@1.0352				415.3584@1.0352	+	415.3584	1.0352			(416.3661, 2401.16)(417.3702, 1297.14)(418.3689, 900.29)	FindByMolecularFeature		5
450.7729@6.198				450.7729@6.198	+	450.7729	6.198			(451.7804, 12052.79)(452.7816, 2728.4)(902.5522, 5604.28)(903.5555, 2643.88)(904.5574, 830.18)	FindByMolecularFeature		5
486.7929@6.0576				486.7929@6.0576	+	486.7929	6.0576			(487.8002, 6638.78)(488.8039, 1020.99)	FindByMolecularFeature		5
495.7987@6.2128				495.7987@6.2128	+	495.7987	6.2128			(496.8059, 12158.19)(497.8053, 1496.53)	FindByMolecularFeature		5
4-Hydroxy-2-quinolone	4-Hydroxy-2-quinolone [ C9 H7 N O2, overall=98.34, db=98.34, CAS ID=86-95-3, KEGG ID=C16716, METLIN ID=71293 ]	86-95-3		4-Hydroxy-2-quinolone	+	161.0481	1.4394001	98.34	C16716	(162.0554, 313569.66)(163.0588, 33458.37)(164.0638, 3165.76)(323.1029, 24869.46)(324.1057, 6091.79)(325.1094, 1230.02)	FindByMolecularFeature	C9 H7 N O2	5
4-Methylaminobutyrate +6.4024	4-Methylaminobutyrate [ C5 H11 N O2, overall=87.62, db=87.62, CAS ID=1119-48-8, KEGG ID=C15987, METLIN ID=63884 ]	1119-48-8		4-Methylaminobutyrate +6.4024	+	117.0788	6.4024	87.62	C15987	(118.0861, 46027.7)(119.089, 3005.37)	FindByMolecularFeature	C5 H11 N O2	5
4-octenal	4-octenal [ C8 H14 O, overall=44.05, db=44.05, Lipid ID=LMFA06000031, METLIN ID=36551 ]			4-octenal	+	126.1042	1.1976	44.05		(149.0951, 1253.06)(275.1989, 1025.53)(127.1123, 1361.56)(270.242, 1798.4)(253.2162, 665.18)	FindByMolecularFeature	C8 H14 O	5		LMFA06000031
4-oxo capric acid	4-oxo capric acid [ C10 H18 O3, overall=47.06, db=47.06, Lipid ID=LMFA01060029, METLIN ID=35723 ]			4-oxo capric acid	+	186.1281	1.1968	47.06		(209.1197, 1565.16)(395.2408, 727.88)(187.1332, 3507.77)(390.284, 812.21)	FindByMolecularFeature	C10 H18 O3	5		LMFA01060029
4Z-tetradecenoic acid	4Z-tetradecenoic acid [ C14 H26 O2, overall=43.09, db=43.09, METLIN ID=34912 ]			4Z-tetradecenoic acid	+	226.193	1.0866001	43.09		(475.3772, 847.22)(227.201, 2639.86)(228.1962, 856.99)(244.2262, 1237.53)	FindByMolecularFeature	C14 H26 O2	5
508.8061@6.1822004				508.8061@6.1822004	+	508.8061	6.1822004			(509.8133, 7136.65)(510.8163, 953.85)	FindByMolecularFeature		5
526.6542@7.5973997				526.6542@7.5973997	+	526.6542	7.5973997			(527.6615, 9703.6)(528.6649, 1848.55)	FindByMolecularFeature		5
659.5332@1.024				659.5332@1.024	+	659.5332	1.024			(682.5231, 3489.38)(683.5296, 1406.25)(684.5414, 2331.72)(685.5511, 826.38)(686.5571, 1033.1)(660.5415, 1957.14)(661.542, 1429.14)(662.5251, 520.85)	FindByMolecularFeature		5
6E-nonenoic acid	6E-nonenoic acid [ C9 H16 O2, overall=82.84, db=82.84, METLIN ID=35101 ]			6E-nonenoic acid	+	156.1149	1.162	82.84		(335.2216, 1151.25)(157.1222, 1179.41)(330.2635, 1076.66)(313.2371, 3912.3)(314.2398, 860.06)	FindByMolecularFeature	C9 H16 O2	5
708.7627@8.960199				708.7627@8.960199	+	708.7627	8.960199			(709.77, 5140.96)(710.7717, 1679.15)	FindByMolecularFeature		5
7-Methylxanthine +2.0888	7-Methylxanthine [ C6 H6 N4 O2, overall=53.50, db=53.50, CAS ID=552-62-5, KEGG ID=C16353, METLIN ID=58075, HMP ID=HMDB01991 ]	552-62-5		7-Methylxanthine +2.0888	+	166.0496	2.0888	53.5	C16353	(167.0566, 6845.44)(168.0651, 1197.12)(350.1295, 781.11)	FindByMolecularFeature	C6 H6 N4 O2	5	HMDB01991
8-(5-hexyl-furan-2-yl)-octanoic acid	8-(5-hexyl-furan-2-yl)-octanoic acid [ C18 H30 O3, overall=77.14, db=77.14, KEGG ID=C13798, METLIN ID=35959 ]			8-(5-hexyl-furan-2-yl)-octanoic acid	+	294.2196	1.2878001	77.14	C13798	(295.2273, 7543.69)(296.2312, 1940.94)(312.2526, 1842.16)	FindByMolecularFeature	C18 H30 O3	5
8?-Hydroxycarapin, 3,8-Hemiacetal	8?-Hydroxycarapin, 3,8-Hemiacetal [ C27 H32 O8, overall=62.62, db=62.62, CAS ID=, METLIN ID=43974 ]			8?-Hydroxycarapin, 3,8-Hemiacetal	+	484.2128	6.0582	62.62		(485.2204, 13928.84)(486.2242, 2540.02)(487.2249, 948.2)	FindByMolecularFeature	C27 H32 O8	5
845.2832@1.0168				845.2832@1.0168	+	845.2832	1.0168			(846.2905, 1013.08)(847.2934, 1062.29)(848.2773, 2216.22)	FindByMolecularFeature		5
906.2523@1.0225999				906.2523@1.0225999	+	906.2523	1.0225999			(907.2596, 7448.0)(908.2556, 8488.88)(909.2521, 5330.73)	FindByMolecularFeature		5
AG-99	AG-99 [ C10 H8 N2 O3, overall=69.07, db=69.07, CAS ID=122520-85-8, METLIN ID=45248 ]	122520-85-8		AG-99	+	221.0808	2.9397998	69.07		(222.0876, 10522.17)(223.0945, 1757.68)	FindByMolecularFeature	C10 H8 N2 O3	5
Ala Pro +7.4105997	Ala Pro [ C8 H14 N2 O3, overall=68.50, db=68.50, METLIN ID=23860 ]			Ala Pro +7.4105997	+	186.1004	7.4105997	68.5		(187.1077, 9193.77)(188.1134, 1487.59)	FindByMolecularFeature	C8 H14 N2 O3	5
Ammodendrine	Ammodendrine [ C12 H20 N2 O, overall=72.44, db=72.44, CAS ID=494-15-5, KEGG ID=C10125, METLIN ID=68134 ]	494-15-5		Ammodendrine	+	230.1379	6.6704	72.44	C10125	(231.1457, 4079.78)(232.151, 785.59)(461.283, 1241.0)	FindByMolecularFeature	C12 H20 N2 O	5
Anhalonidine	Anhalonidine [ C12 H17 N O3, overall=64.97, db=64.97, KEGG ID=C16704, METLIN ID=71290 ]			Anhalonidine	+	223.1253	6.5648003	64.97	C16704	(224.1281, 5612.98)(225.1302, 1429.0)	FindByMolecularFeature	C12 H17 N O3	5
A-Norpregn-3(5)-ene-2,20-dione +1.341	A-Norpregn-3(5)-ene-2,20-dione [ C20 H28 O2, overall=96.73, db=96.73, KEGG ID=C15263, METLIN ID=70740 ]			A-Norpregn-3(5)-ene-2,20-dione +1.341	+	300.2088	1.341	96.73	C15263	(301.2164, 12858.19)(302.2202, 3288.53)(303.2246, 425.03)	FindByMolecularFeature	C20 H28 O2	5
benzylazanium +5.4168005	benzylazanium [ C7 H9 N, overall=86.14, db=86.14, CAS ID=100-46-9, KEGG ID=C15562, METLIN ID=24056 ]	100-46-9		benzylazanium +5.4168005	+	107.0734	5.4168005	86.14	C15562	(108.0807, 25201.87)(109.0831, 2353.05)	FindByMolecularFeature	C7 H9 N	5
Bestatin	Bestatin [ C16 H24 N2 O4, overall=66.98, db=66.98, CAS ID=65391-42-6, KEGG ID=C00732, METLIN ID=63060 ]	65391-42-6		Bestatin	+	308.1737	2.9694	66.98	C00732	(331.1625, 1026.46)(309.182, 3688.41)(310.1841, 1174.34)(311.1832, 529.11)	FindByMolecularFeature	C16 H24 N2 O4	5
Bestatin +3.1152	Bestatin [ C16 H24 N2 O4, overall=83.85, db=83.85, CAS ID=65391-42-6, KEGG ID=C00732, METLIN ID=63060 ]	65391-42-6		Bestatin +3.1152	+	308.1743	3.1152	83.85	C00732	(331.1628, 1044.12)(309.1815, 4130.35)(310.1836, 970.78)(311.185, 388.39)	FindByMolecularFeature	C16 H24 N2 O4	5
Butopyronoxyl +1.1004	Butopyronoxyl [ C12 H18 O4, overall=83.67, db=83.67, CAS ID=532-34-3, KEGG ID=C19142, METLIN ID=72883 ]	532-34-3		Butopyronoxyl +1.1004	+	226.121	1.1004	83.67	C19142	(249.1096, 1975.26)(227.1283, 14240.87)(228.1318, 2268.47)(244.1551, 1751.81)	FindByMolecularFeature	C12 H18 O4	5
C10 H16 N4 O +1.6906	[ C10 H16 N4 O, overall=38.14, db=0.00, mfg=76.28 ]			C10 H16 N4 O +1.6906	+	208.1316	1.6906	38.14		(231.1215, 4459.78)(209.1388, 8563.14)(210.1476, 876.36)	FindByMolecularFeature	C10 H16 N4 O	5
C13 H11 N5	[ C13 H11 N5, overall=35.39, db=0.00, mfg=70.78 ]			C13 H11 N5	+	237.1006	1.9576	35.39		(238.1076, 5475.59)(239.1113, 1295.7)(255.1331, 676.93)	FindByMolecularFeature	C13 H11 N5	5
C13 H13 N O3	[ C13 H13 N O3, overall=42.72, db=0.00, mfg=85.44 ]			C13 H13 N O3	+	231.0901	3.33	42.72		(254.0813, 901.0)(232.0972, 11462.91)(233.1011, 1644.93)	FindByMolecularFeature	C13 H13 N O3	5
C13 H14 N9 O	[ C13 H14 N9 O, overall=41.69, db=0.00, mfg=83.38 ]			C13 H14 N9 O	+	312.1325	2.6383998	41.69		(335.1218, 1055.72)(313.1398, 11957.81)(314.1424, 2481.44)	FindByMolecularFeature	C13 H14 N9 O	5
C14 H15 N5 O2	[ C14 H15 N5 O2, overall=33.94, db=0.00, mfg=67.87 ]			C14 H15 N5 O2	+	285.122	1.9568001	33.94		(308.1112, 3019.85)(309.118, 735.69)(286.1293, 2994.41)	FindByMolecularFeature	C14 H15 N5 O2	5
C14 H18 N3 O	[ C14 H18 N3 O, overall=23.63, db=0.00, mfg=47.25 ]			C14 H18 N3 O	+	244.1426	6.5768	23.63		(267.1339, 687.62)(245.1501, 25639.72)(246.1481, 11146.85)(247.1429, 1973.37)	FindByMolecularFeature	C14 H18 N3 O	5
C15 H21 N2	[ C15 H21 N2, overall=23.73, db=0.00, mfg=47.46 ]			C15 H21 N2	+	229.168	1.3686001	23.73		(252.1595, 1033.31)(230.1751, 3706.44)(231.1756, 1256.42)	FindByMolecularFeature	C15 H21 N2	5
C15 H25 N2 O	[ C15 H25 N2 O, overall=36.35, db=0.00, mfg=72.71 ]			C15 H25 N2 O	+	249.1977	1.1751999	36.35		(272.1866, 4053.8)(273.184, 873.46)(250.2058, 1927.06)(267.2318, 1341.89)	FindByMolecularFeature	C15 H25 N2 O	5
C15 H29 N8	[ C15 H29 N8, overall=23.63, db=0.00, mfg=47.25 ]			C15 H29 N8	+	321.2503	1.1206	23.63		(322.2581, 3867.63)(323.258, 2306.95)(339.285, 1261.75)	FindByMolecularFeature	C15 H29 N8	5
C16 H42 N15 O7	[ C16 H42 N15 O7, overall=31.02, db=0.00, mfg=62.04 ]			C16 H42 N15 O7	+	556.3396	7.8612	31.02		(557.3469, 10214.95)(558.3481, 857.46)	FindByMolecularFeature	C16 H42 N15 O7	5
C17 H22 N O2 +1.2806002	[ C17 H22 N O2, overall=24.38, db=0.00, mfg=48.76 ]			C17 H22 N O2 +1.2806002	+	272.1634	1.2806002	24.38		(295.1534, 1546.11)(273.1732, 1347.17)(290.1972, 2443.22)(291.1989, 846.28)(545.3441, 1150.94)(546.3467, 629.58)	FindByMolecularFeature	C17 H22 N O2	5
C17 H28 N15	[ C17 H28 N15, overall=42.27, db=0.00, mfg=84.54 ]			C17 H28 N15	+	442.2659	6.1592	42.27		(465.248, 824.63)(443.2732, 4261.11)(444.2751, 1008.4)	FindByMolecularFeature	C17 H28 N15	5
C17 H31 N8	[ C17 H31 N8, overall=39.00, db=0.00, mfg=78.00 ]			C17 H31 N8	+	347.267	1.3328	39		(370.251, 789.05)(348.2743, 8986.41)(349.279, 2311.25)	FindByMolecularFeature	C17 H31 N8	5
C17 H42 Cl2 N9	[ C17 H42 Cl2 N9, overall=23.81, db=0.00, mfg=47.61 ]			C17 H42 Cl2 N9	+	442.2946	1.3974001	23.81		(465.2845, 1105.03)(466.2912, 697.51)(443.3008, 1881.93)(444.3054, 1276.55)(445.3045, 848.63)(460.3279, 1223.01)	FindByMolecularFeature	C17 H42 Cl2 N9	5
C18 H38 O10	[ C18 H38 O10, overall=49.91, db=0.00, mfg=99.81 ]			C18 H38 O10	+	414.2467	3.9713998	49.91		(437.2367, 1454.73)(415.2538, 5319.52)(416.2578, 1399.93)(432.2805, 224888.98)(433.2838, 44972.6)(434.2862, 8822.44)(435.2889, 1208.62)	FindByMolecularFeature	C18 H38 O10	5
C18 H40 S2	[ C18 H40 S2, overall=41.07, db=0.00, mfg=82.13 ]			C18 H40 S2	+	320.256	1.2428	41.07		(321.2629, 3012.5)(322.2637, 858.37)(323.2584, 564.2)(338.2903, 9277.45)(339.293, 2502.01)(340.2831, 972.22)	FindByMolecularFeature	C18 H40 S2	5
C18 H43 N7 S2	[ C18 H43 N7 S2, overall=38.43, db=0.00, mfg=76.86 ]			C18 H43 N7 S2	+	421.3038	1.5836	38.43		(422.3111, 3557.34)(423.3117, 1071.59)(424.3032, 686.74)	FindByMolecularFeature	C18 H43 N7 S2	5
C19 H20 N O2	[ C19 H20 N O2, overall=40.57, db=0.00, mfg=81.15 ]			C19 H20 N O2	+	294.1479	1.0986	40.57		(295.1565, 4497.22)(296.1596, 1155.95)(312.1861, 971.22)(589.3011, 4134.28)(590.3066, 1359.68)	FindByMolecularFeature	C19 H20 N O2	5
C19 H30 N	[ C19 H30 N, overall=28.16, db=0.00, mfg=56.31 ]			C19 H30 N	+	272.2386	1.21	28.16		(295.2264, 1692.25)(273.2449, 3254.01)(274.245, 1107.69)	FindByMolecularFeature	C19 H30 N	5
C21 H15 N9 O6	[ C21 H15 N9 O6, overall=40.09, db=0.00, mfg=80.17 ]			C21 H15 N9 O6	+	489.1139	2.9064002	40.09		(490.1215, 3302.13)(491.1236, 945.87)	FindByMolecularFeature	C21 H15 N9 O6	5
C22 H4 N3 O24 +7.2907996	[ C22 H4 N3 O24, overall=30.62, db=0.00, mfg=61.23 ]			C22 H4 N3 O24 +7.2907996	+	693.9164	7.2907996	30.62		(694.9237, 27094.73)(695.9264, 4092.07)	FindByMolecularFeature	C22 H4 N3 O24	5
C23 H41 N +3.8279998	[ C23 H41 N, overall=42.28, db=0.00, mfg=84.55 ]			C23 H41 N +3.8279998	+	331.324	3.8279998	42.28		(332.3313, 14668.13)(333.3351, 3799.67)	FindByMolecularFeature	C23 H41 N	5
C23 H47 N8 O	[ C23 H47 N8 O, overall=41.48, db=0.00, mfg=82.95 ]			C23 H47 N8 O	+	451.387	1.2518	41.48		(452.3946, 7440.73)(453.3981, 1974.76)	FindByMolecularFeature	C23 H47 N8 O	5
C23 H49 N S2	[ C23 H49 N S2, overall=46.16, db=0.00, mfg=92.32 ]			C23 H49 N S2	+	403.3291	1.1786666	46.16		(404.3364, 7374.78)(405.34, 2034.15)(406.337, 871.16)	FindByMolecularFeature	C23 H49 N S2	6
C24 H44 N15 O4	[ C24 H44 N15 O4, overall=39.59, db=0.00, mfg=79.17 ]			C24 H44 N15 O4	+	606.3696	7.0561996	39.59		(607.3769, 13604.28)(608.3803, 3904.17)	FindByMolecularFeature	C24 H44 N15 O4	5
C24 H45 N15 O3 +4.1292	[ C24 H45 N15 O3, overall=37.42, db=0.00, mfg=74.83 ]			C24 H45 N15 O3 +4.1292	+	591.3826	4.1292	37.42		(592.3899, 3078.74)(593.3933, 1154.14)	FindByMolecularFeature	C24 H45 N15 O3	5
C24 H8 N3 O25 +7.4602	[ C24 H8 N3 O25, overall=34.59, db=0.00, mfg=69.18 ]			C24 H8 N3 O25 +7.4602	+	737.9427	7.4602	34.59		(738.9502, 11719.77)(739.9534, 2987.69)	FindByMolecularFeature	C24 H8 N3 O25	5
C25 H15 Cl N11 O	[ C25 H15 Cl N11 O, overall=35.10, db=0.00, mfg=70.20 ]			C25 H15 Cl N11 O	+	520.1139	1.0352	35.1		(521.1257, 4181.45)(522.1216, 1907.84)(523.1174, 1826.4)(524.1179, 424.57)(538.1475, 15207.17)(539.147, 8442.92)(540.144, 5289.49)	FindByMolecularFeature	C25 H15 Cl N11 O	5
C25 H45 N6	[ C25 H45 N6, overall=38.72, db=0.00, mfg=77.44 ]			C25 H45 N6	+	429.3717	1.0358	38.72		(430.3789, 2589.35)(431.3805, 861.94)	FindByMolecularFeature	C25 H45 N6	5
C25 H5 N2 O4	[ C25 H5 N2 O4, overall=23.81, db=0.00, mfg=47.62 ]			C25 H5 N2 O4	+	397.025	5.4112	23.81		(420.0143, 3115.17)(398.0322, 2578.49)	FindByMolecularFeature	C25 H5 N2 O4	5
C25 H50 Cl N6	[ C25 H50 Cl N6, overall=36.81, db=0.00, mfg=73.62 ]			C25 H50 Cl N6	+	469.3754	1.0666	36.81		(492.3688, 561.36)(470.3827, 2702.01)(471.3848, 951.1)(472.3955, 1089.65)	FindByMolecularFeature	C25 H50 Cl N6	5
C25 H53 N11 O8	[ C25 H53 N11 O8, overall=38.36, db=0.00, mfg=76.71 ]			C25 H53 N11 O8	+	635.4087	4.0616007	38.36		(636.416, 3372.55)(637.4188, 934.71)	FindByMolecularFeature	C25 H53 N11 O8	5
C27 H36 N4 O3	[ C27 H36 N4 O3, overall=39.26, db=0.00, mfg=78.51 ]			C27 H36 N4 O3	+	464.2779	6.2784	39.26		(465.286, 3814.49)(466.2881, 992.01)(946.5784, 2273.98)(947.5824, 1207.5)	FindByMolecularFeature	C27 H36 N4 O3	5
C29 H49 N22 O2	[ C29 H49 N22 O2, overall=37.37, db=0.00, mfg=74.75 ]			C29 H49 N22 O2	+	737.4409	7.3949995	37.37		(738.4481, 11360.22)(739.4517, 4099.09)	FindByMolecularFeature	C29 H49 N22 O2	5
C30 H58 Cl N3 O2	[ C30 H58 Cl N3 O2, overall=32.97, db=0.00, mfg=65.94 ]			C30 H58 Cl N3 O2	+	527.4187	1.0464	32.97		(528.426, 3328.42)(529.4289, 1312.42)(530.4377, 1824.45)	FindByMolecularFeature	C30 H58 Cl N3 O2	5
C31 H54 O7 S3	[ C31 H54 O7 S3, overall=43.27, db=0.00, mfg=86.53 ]			C31 H54 O7 S3	+	634.3003	1.6048	43.27		(635.3092, 3235.38)(636.3121, 1280.01)(637.3126, 826.83)	FindByMolecularFeature	C31 H54 O7 S3	5
C32 H36 N11 O2	[ C32 H36 N11 O2, overall=47.22, db=0.00, mfg=94.45 ]			C32 H36 N11 O2	+	606.305	3.4587998	47.22		(629.2948, 1087.0)(607.3125, 5546.5)(608.3155, 2463.3)(609.32, 356.39)	FindByMolecularFeature	C32 H36 N11 O2	5
C33 H46 N4 O7	[ C33 H46 N4 O7, overall=48.35, db=0.00, mfg=96.70 ]			C33 H46 N4 O7	+	610.3362	3.3109996	48.35		(611.3435, 5793.9)(612.3467, 2322.81)(613.3497, 701.04)	FindByMolecularFeature	C33 H46 N4 O7	5
C33 H67 N4 O5	[ C33 H67 N4 O5, overall=47.64, db=0.00, mfg=95.29 ]			C33 H67 N4 O5	+	599.5119	1.0178001	47.64		(600.5192, 5502.6)(601.5217, 1990.61)(602.5261, 623.54)	FindByMolecularFeature	C33 H67 N4 O5	5
C34 H73 Cl2 N7 O2	[ C34 H73 Cl2 N7 O2, overall=29.07, db=0.00, mfg=58.13 ]			C34 H73 Cl2 N7 O2	+	681.5155	1.0267999	29.07		(682.5228, 3792.77)(683.5277, 1545.24)(684.5389, 2753.16)	FindByMolecularFeature	C34 H73 Cl2 N7 O2	5
C39 H45 N4 S5	[ C39 H45 N4 S5, overall=30.09, db=0.00, mfg=60.19 ]			C39 H45 N4 S5	+	729.2285	1.0232	30.09		(730.2358, 2985.24)(731.2308, 1938.31)(732.2294, 1683.05)	FindByMolecularFeature	C39 H45 N4 S5	5
C40 H79 N O4	[ C40 H79 N O4, overall=49.00, db=0.00, mfg=98.00 ]			C40 H79 N O4	+	637.5999	3.6854	49		(638.6078, 15101.64)(639.611, 6950.2)(640.6144, 1953.97)	FindByMolecularFeature	C40 H79 N O4	5
C40 H83 N +3.6531997	[ C40 H83 N, overall=31.22, db=0.00, mfg=62.45 ]			C40 H83 N +3.6531997	+	577.6514	3.6531997	31.22		(578.6593, 4231.37)(579.6629, 2587.83)	FindByMolecularFeature	C40 H83 N	5
C40 H83 N11 O4 S	[ C40 H83 N11 O4 S, overall=42.52, db=0.00, mfg=85.04 ]			C40 H83 N11 O4 S	+	813.6319	1.0092	42.52		(814.6392, 4087.57)(815.6438, 1976.06)(816.6615, 773.86)	FindByMolecularFeature	C40 H83 N11 O4 S	5
C47 H62 O2	[ C47 H62 O2, overall=32.61, db=0.00, mfg=65.22 ]			C47 H62 O2	+	658.4745	4.804	32.61		(659.4822, 2664.6)(660.4855, 1510.09)	FindByMolecularFeature	C47 H62 O2	5
C57 H105 N5 S2	[ C57 H105 N5 S2, overall=39.43, db=0.00, mfg=78.85 ]			C57 H105 N5 S2	+	923.7789	1.0719999	39.43		(924.7862, 3644.32)(925.7892, 2474.13)(926.7981, 1325.85)	FindByMolecularFeature	C57 H105 N5 S2	5
C57 H67 N S2	[ C57 H67 N S2, overall=42.81, db=0.00, mfg=85.62 ]			C57 H67 N S2	+	829.4713	1.2442	42.81		(830.4786, 4470.08)(831.4819, 2642.15)(832.4843, 1517.03)	FindByMolecularFeature	C57 H67 N S2	5
C7 H12	[ C7 H12, overall=23.29, db=0.00, mfg=46.59 ]			C7 H12	+	96.0959	1.1478001	23.29		(119.0854, 9390.95)(120.0919, 1661.3)(97.1008, 2595.84)	FindByMolecularFeature	C7 H12	5
C9 H14 N6 O6	[ C9 H14 N6 O6, overall=48.75, db=0.00, mfg=97.50 ]			C9 H14 N6 O6	+	302.0978	5.6846	48.75		(303.1051, 48821.41)(304.1084, 5912.62)(305.1109, 1308.68)	FindByMolecularFeature	C9 H14 N6 O6	5
C9 H17 N3 O	[ C9 H17 N3 O, overall=43.21, db=0.00, mfg=86.41 ]			C9 H17 N3 O	+	183.1374	3.3364003	43.21		(184.1446, 19851.9)(185.148, 2406.73)	FindByMolecularFeature	C9 H17 N3 O	5
Cinobufotalin	Cinobufotalin [ C26 H34 O7, overall=50.41, db=50.41, CAS ID=1108-68-5, KEGG ID=C16932, METLIN ID=71444 ]	1108-68-5		Cinobufotalin	+	475.2612	1.5718	50.41	C16932	(476.2684, 5270.03)(477.2703, 1156.02)	FindByMolecularFeature	C26 H34 O7	5
Cymather aldehyde methyl ester +1.1653999	Cymather aldehyde methyl ester [ C12 H18 O3, overall=67.72, db=67.72, METLIN ID=65405 ]			Cymather aldehyde methyl ester +1.1653999	+	210.126	1.1653999	67.72		(233.115, 973.62)(211.1331, 14497.35)(212.1388, 2990.48)(228.161, 1512.34)(421.254, 724.1)	FindByMolecularFeature	C12 H18 O3	5
dexpanthenol	dexpanthenol [ C9 H19 N O4, overall=49.68, db=49.68, CAS ID=81-13-0, KEGG ID=C05944, METLIN ID=3978 ]	81-13-0		dexpanthenol	+	205.1324	1.1807998	49.68	C05944	(206.1391, 4209.22)(207.1392, 2002.95)(223.1689, 1482.25)(411.2724, 643.71)	FindByMolecularFeature	C9 H19 N O4	5
Diaziquone	Diaziquone [ C18 H22 N2 O6, overall=81.67, db=81.67, CAS ID=57998-68-2, METLIN ID=44225 ]	57998-68-2		Diaziquone	+	362.1482	1.4014	81.67		(363.1554, 4315.0)(364.1572, 958.75)	FindByMolecularFeature	C18 H22 N2 O6	5
Dihydroxymelphalan +2.9492	Dihydroxymelphalan [ C13 H20 N2 O4, overall=82.02, db=82.02, CAS ID=72143-20-5, METLIN ID=1126 ]	72143-20-5		Dihydroxymelphalan +2.9492	+	268.1423	2.9492	82.02		(269.1496, 5341.18)(270.1529, 1033.35)	FindByMolecularFeature	C13 H20 N2 O4	5
Diminazene	Diminazene [ C14 H15 N7, overall=79.96, db=79.96, CAS ID=536-71-0, KEGG ID=C18388, METLIN ID=72197 ]	536-71-0		Diminazene	+	298.1642	6.554	79.96	C18388	(299.1717, 12597.27)(300.1732, 2568.49)	FindByMolecularFeature	C14 H15 N7	5
Estradiol Cypionate	Estradiol Cypionate [ C26 H36 O3, overall=74.19, db=74.19, CAS ID=313-06-4, KEGG ID=C14640, METLIN ID=44160 ]	313-06-4		Estradiol Cypionate	+	396.2646	1.0792	74.19	C14640	(397.2722, 5014.56)(398.2782, 1257.35)	FindByMolecularFeature	C26 H36 O3	5
Fortimicin AP	Fortimicin AP [ C14 H30 N4 O5, overall=38.71, db=38.71, KEGG ID=C17975, METLIN ID=71971 ]			Fortimicin AP	+	351.2516	1.4222	38.71	C17975	(352.2589, 6985.18)(353.2618, 2194.65)	FindByMolecularFeature	C14 H30 N4 O5	5
Glu Ala Ala	Glu Ala Ala [ C11 H19 N3 O6, overall=74.94, db=74.94, METLIN ID=18795 ]			Glu Ala Ala	+	289.1281	6.7624	74.94		(290.1349, 6217.6)(291.1386, 1253.68)(307.1639, 1060.38)	FindByMolecularFeature	C11 H19 N3 O6	5
Gossypetin 8-glucuronide	Gossypetin 8-glucuronide [ C21 H18 O14, overall=82.69, db=82.69, Lipid ID=LMPK12113199, METLIN ID=51611 ]			Gossypetin 8-glucuronide	+	494.0685	2.8874	82.69		(495.0761, 7299.32)(496.0792, 1294.64)(497.078, 691.92)	FindByMolecularFeature	C21 H18 O14	5		LMPK12113199
Granisetron metabolite 3	Granisetron metabolite 3 [ C18 H24 N4 O2, overall=67.18, db=67.18, CAS ID=, METLIN ID=3147 ]			Granisetron metabolite 3	+	345.2149	4.335	67.18		(346.2219, 3048.93)(347.2265, 875.04)	FindByMolecularFeature	C18 H24 N4 O2	5
Heptabarbital	Heptabarbital [ C13 H18 N2 O3, overall=70.59, db=70.59, CAS ID=509-86-4, KEGG ID=C17725, METLIN ID=71883 ]	509-86-4		Heptabarbital	+	250.1317	7.0287995	70.59	C17725	(251.1387, 4466.45)(252.1417, 1111.14)	FindByMolecularFeature	C13 H18 N2 O3	5
Heptanoic acid	Heptanoic acid [ C7 H14 O2, overall=44.53, db=44.53, Lipid ID=LMFA01010007, CAS ID=111-14-8, KEGG ID=C05799, METLIN ID=5636, HMP ID=HMDB00666 ]	111-14-8		Heptanoic acid	+	130.1017	1.2545999	44.53	C05799	(153.0914, 2793.51)(154.0869, 523.81)(283.1925, 1274.41)(131.1071, 1823.02)	FindByMolecularFeature	C7 H14 O2	5	HMDB00666	LMFA01010007
Hydroxyphenoxyethylaminohydroxypropanol +2.6581998	Hydroxyphenoxyethylaminohydroxypropanol [ C11 H17 N O4, overall=66.31, db=66.31, CAS ID=114849-42-2, METLIN ID=1575 ]	114849-42-2		Hydroxyphenoxyethylaminohydroxypropanol +2.6581998	+	227.116	2.6581998	66.31		(228.1233, 4206.31)(229.1227, 830.35)	FindByMolecularFeature	C11 H17 N O4	5
Indicumenone	Indicumenone [ C15 H24 O3, overall=45.77, db=45.77, KEGG ID=C17612, METLIN ID=71816 ]			Indicumenone	+	252.1727	1.113	45.77	C17612	(253.1805, 2110.88)(270.2071, 1417.05)(522.3788, 766.58)(505.352, 1239.0)	FindByMolecularFeature	C15 H24 O3	5
Irinotecan	Irinotecan [ C33 H38 N4 O6, overall=66.02, db=66.02, CAS ID=97682-44-5, KEGG ID=C16641, METLIN ID=71278 ]	97682-44-5		Irinotecan	+	586.279	1.6818001	66.02	C16641	(587.2862, 4338.66)(588.2887, 2081.58)(589.2998, 1209.68)	FindByMolecularFeature	C33 H38 N4 O6	5
Isodomoic acid A +1.5122	Isodomoic acid A [ C15 H21 N O6, overall=81.31, db=81.31, CAS ID=101899-44-9, KEGG ID=C20027, METLIN ID=73512 ]	101899-44-9		Isodomoic acid A +1.5122	+	311.1372	1.5122	81.31	C20027	(312.1445, 29071.43)(313.1483, 5978.69)	FindByMolecularFeature	C15 H21 N O6	5
Isonicotineamide +1.7034	Isonicotineamide [ C6 H6 N2 O, overall=87.66, db=87.66, CAS ID=1453-82-3, KEGG ID=C02421, METLIN ID=65768 ]	1453-82-3		Isonicotineamide +1.7034	+	122.0481	1.7034	87.66	C02421	(123.0553, 48863.33)(124.0576, 3688.2)	FindByMolecularFeature	C6 H6 N2 O	5
I-Urobilin +1.4086	I-Urobilin [ C33 H42 N4 O6, overall=75.30, db=75.30, CAS ID=1856-98-0, KEGG ID=C05794, METLIN ID=58222, HMP ID=HMDB04160 ]	1856-98-0		I-Urobilin +1.4086	+	590.3104	1.4086	75.3	C05794	(591.3173, 30541.46)(592.3206, 10069.7)	FindByMolecularFeature	C33 H42 N4 O6	5	HMDB04160
L-4-Hydroxy-3-methoxy-a-methylphenylalanine +6.6811996	L-4-Hydroxy-3-methoxy-a-methylphenylalanine [ C11 H15 N O4, overall=85.33, db=85.33, CAS ID=6739-31-7, METLIN ID=1219 ]	6739-31-7		L-4-Hydroxy-3-methoxy-a-methylphenylalanine +6.6811996	+	225.1006	6.6811996	85.33		(226.1078, 23984.73)(227.1116, 3175.91)	FindByMolecularFeature	C11 H15 N O4	5
L-Dopa +6.4378	L-Dopa [ C9 H11 N O4, overall=85.85, db=85.85, CAS ID=59-92-7, KEGG ID=C00355, METLIN ID=42, HMP ID=HMDB00181 ]	59-92-7		L-Dopa +6.4378	+	197.069	6.4378	85.85	C00355	(198.0763, 14420.73)(199.08, 1686.08)	FindByMolecularFeature	C9 H11 N O4	5	HMDB00181
Leu Asp	Leu Asp [ C10 H18 N2 O5, overall=72.66, db=72.66, METLIN ID=23753 ]			Leu Asp	+	246.1223	6.55	72.66		(247.1288, 8629.24)(248.1344, 1484.76)	FindByMolecularFeature	C10 H18 N2 O5	5
Leupeptin +1.3506	Leupeptin [ C20 H38 N6 O4, overall=67.66, db=67.66, CAS ID=24365-47-7, KEGG ID=C01591, METLIN ID=65617 ]	24365-47-7		Leupeptin +1.3506	+	426.2971	1.3506	67.66	C01591	(449.2891, 2289.51)(450.2931, 1191.34)(427.3033, 3227.93)(428.3056, 1330.54)(429.3054, 1003.54)	FindByMolecularFeature	C20 H38 N6 O4	5
L-Glutamic acid dibutyl ester	L-Glutamic acid dibutyl ester [ C13 H25 N O4, overall=26.25, db=26.25, CAS ID=4261-76-1, METLIN ID=3545 ]	4261-76-1		L-Glutamic acid dibutyl ester	+	254.2245	1.1508	26.25		(277.2118, 2634.12)(278.2068, 1166.45)(255.2322, 2030.64)(256.2263, 937.52)(257.224, 1832.05)(272.2571, 1057.0)	FindByMolecularFeature	C13 H25 N O4	5
Linoleoyl Ethanolamide	Linoleoyl Ethanolamide [ C20 H37 N O2, overall=76.35, db=76.35, Lipid ID=LMFA08040004, CAS ID=68171-52-8, METLIN ID=3718, HMP ID=HMDB12252 ]	68171-52-8		Linoleoyl Ethanolamide	+	323.2819	1.2219999	76.35		(324.2897, 7279.52)(325.2924, 2137.79)(341.3146, 2372.58)	FindByMolecularFeature	C20 H37 N O2	5	HMDB12252	LMFA08040004
L-isoleucyl-L-proline +8.121401	L-isoleucyl-L-proline [ C11 H20 N2 O3, overall=99.07, db=99.07, METLIN ID=62022, HMP ID=HMDB11174 ]			L-isoleucyl-L-proline +8.121401	+	228.1478	8.121401	99.07		(229.1551, 331534.0)(230.1583, 43218.14)(231.1607, 5186.12)(232.1596, 375.47)	FindByMolecularFeature	C11 H20 N2 O3	5	HMDB11174
Lithocholic acid glycine conjugate	Lithocholic acid glycine conjugate [ C26 H43 N O4, overall=95.06, db=95.06, Lipid ID=LMST05030009, CAS ID=474-74-8, KEGG ID=C15557, METLIN ID=5666, HMP ID=HMDB00698 ]	474-74-8		Lithocholic acid glycine conjugate	+	433.3192	1.1824	95.06	C15557	(434.3262, 10061.04)(435.3296, 3422.89)(436.3353, 461.79)	FindByMolecularFeature	C26 H43 N O4	5	HMDB00698	LMST05030009
L-O-Methylthreonine +7.0216	L-O-Methylthreonine [ C5 H11 N O3, overall=86.78, db=86.78, CAS ID=88642-93-7, METLIN ID=44769 ]	88642-93-7		L-O-Methylthreonine +7.0216	+	133.0736	7.0216	86.78		(134.0809, 24265.77)(135.0849, 1383.28)	FindByMolecularFeature	C5 H11 N O3	5
L-prolyl-L-proline +2.6462	L-prolyl-L-proline [ C10 H16 N2 O3, overall=60.10, db=60.10, METLIN ID=62027, HMP ID=HMDB11180 ]			L-prolyl-L-proline +2.6462	+	212.1169	2.6462	60.1		(213.1239, 5910.56)(214.1273, 1671.15)	FindByMolecularFeature	C10 H16 N2 O3	5	HMDB11180
Lys Lys Lys +1.227	Lys Lys Lys [ C18 H38 N6 O4, overall=52.75, db=52.75, METLIN ID=18451 ]			Lys Lys Lys +1.227	+	419.3241	1.227	52.75		(420.3314, 6858.18)(421.3344, 2151.21)(422.3419, 1195.41)	FindByMolecularFeature	C18 H38 N6 O4	5
Mandelonitrile	Mandelonitrile [ C8 H7 N O, overall=32.92, db=32.92, CAS ID=532-28-5, KEGG ID=C00561, METLIN ID=63621 ]	532-28-5		Mandelonitrile	+	133.0531	1.2116	32.92	C00561	(134.0602, 7677.32)(135.0708, 2286.72)	FindByMolecularFeature	C8 H7 N O	5
Methenamine	Methenamine [ C6 H12 N4, overall=60.93, db=60.93, CAS ID=100-97-0, METLIN ID=43250 ]	100-97-0		Methenamine	+	140.1057	7.5878005	60.93		(141.1129, 7524.14)(142.1242, 957.35)(143.118, 1484.8)	FindByMolecularFeature	C6 H12 N4	5
Methoxyhydroxymethylhydrocinnamic acid	Methoxyhydroxymethylhydrocinnamic acid [ C11 H14 O4, overall=79.00, db=79.00, CAS ID=53832-93-2, METLIN ID=1504 ]	53832-93-2		Methoxyhydroxymethylhydrocinnamic acid	+	188.1065	1.175	79		(211.097, 6824.81)(212.0994, 1145.77)(189.1194, 1500.95)(206.1385, 3320.01)(207.1418, 1123.56)	FindByMolecularFeature	C11 H14 O4	5
Methyl o-methoxyhippuric acid	Methyl o-methoxyhippuric acid [ C11 H13 N O4, overall=71.21, db=71.21, METLIN ID=5659, HMP ID=HMDB00690 ]			Methyl o-methoxyhippuric acid	+	223.0845	7.1643996	71.21		(224.0918, 8329.45)(225.1002, 1343.2)	FindByMolecularFeature	C11 H13 N O4	5	HMDB00690
Mexacarbate +6.3808002	Mexacarbate [ C12 H18 N2 O2, overall=51.87, db=51.87, CAS ID=315-18-4, KEGG ID=C18952, METLIN ID=72712 ]	315-18-4		Mexacarbate +6.3808002	+	222.137	6.3808002	51.87	C18952	(223.1443, 7687.94)(224.1399, 1935.04)	FindByMolecularFeature	C12 H18 N2 O2	5
MID42011:1?-hydroxy-24-(dimethylphosphoryl)-25,26,27-trinorvitamin D3 / 1?-hydroxy-24-(dimethylphosp	MID42011:1?-hydroxy-24-(dimethylphosphoryl)-25,26,27-trinorvitamin D3 / 1?-hydroxy-24-(dimethylphosp [ C26 H43 O3 P, overall=46.25, db=46.25, Lipid ID=LMST03020071, METLIN ID=42011 ]			MID42011:1?-hydroxy-24-(dimethylphosphoryl)-25,26,27-trinorvitamin D3 / 1?-hydroxy-24-(dimethylphosp	+	434.2902	1.1506001	46.25		(435.2991, 3337.45)(436.3006, 1234.64)	FindByMolecularFeature	C26 H43 O3 P	5		LMST03020071
MID42020:26,26,26,27,27,27-hexafluoro-1?,25-dihydroxy-23,23,24,24-tetradehydrovitamin D3 / 26,26,26,	MID42020:26,26,26,27,27,27-hexafluoro-1?,25-dihydroxy-23,23,24,24-tetradehydrovitamin D3 / 26,26,26, [ C27 H34 F6 O3, overall=58.38, db=58.38, Lipid ID=LMST03020080, METLIN ID=42020 ]			MID42020:26,26,26,27,27,27-hexafluoro-1?,25-dihydroxy-23,23,24,24-tetradehydrovitamin D3 / 26,26,26,	+	542.2206	1.4328	58.38		(543.2279, 3479.48)(544.2327, 1508.54)(545.2313, 834.78)	FindByMolecularFeature	C27 H34 F6 O3	5		LMST03020080
Midodrine	Midodrine [ C12 H18 N2 O4, overall=55.39, db=55.39, CAS ID=3092-17-9, KEGG ID=C07890, METLIN ID=44344 ]	3092-17-9		Midodrine	+	254.1267	6.2244005	55.39	C07890	(277.1163, 2802.91)(255.1335, 3071.22)(256.1345, 890.8)	FindByMolecularFeature	C12 H18 N2 O4	5
N-(Acetyloxy)benzenamine	N-(Acetyloxy)benzenamine [ C8 H9 N O2, overall=99.23, db=99.23, CAS ID=71825-04-2, KEGG ID=C02709, METLIN ID=65815 ]	71825-04-2		N-(Acetyloxy)benzenamine	+	151.0636	1.2432001	99.23	C02709	(152.0709, 729108.3)(153.0743, 66832.22)(154.0776, 5287.01)(155.08, 701.93)(303.1374, 1733.83)	FindByMolecularFeature	C8 H9 N O2	5
N-alpha-Acetyl-L-2,4-diaminobutyrate	N-alpha-Acetyl-L-2,4-diaminobutyrate [ C6 H12 N2 O3, overall=86.32, db=86.32, KEGG ID=C19929, METLIN ID=73433 ]			N-alpha-Acetyl-L-2,4-diaminobutyrate	+	160.0849	7.2206	86.32	C19929	(161.0922, 10605.87)(162.0943, 612.62)	FindByMolecularFeature	C6 H12 N2 O3	5
N-Hydroxy-L-phenylalanine +1.4333999	N-Hydroxy-L-phenylalanine [ C9 H11 N O3, overall=77.99, db=77.99, KEGG ID=C19712, METLIN ID=73312 ]			N-Hydroxy-L-phenylalanine +1.4333999	+	181.0743	1.4333999	77.99	C19712	(182.0816, 8235.39)(183.0832, 1197.67)(363.1572, 1949.07)	FindByMolecularFeature	C9 H11 N O3	5
N-Hydroxy-L-phenylalanine +6.0332	N-Hydroxy-L-phenylalanine [ C9 H11 N O3, overall=77.56, db=77.56, KEGG ID=C19712, METLIN ID=73312 ]			N-Hydroxy-L-phenylalanine +6.0332	+	181.0745	6.0332	77.56	C19712	(182.0818, 6785.99)(183.086, 982.86)	FindByMolecularFeature	C9 H11 N O3	5
Nordihydrocodeine +2.0882	Nordihydrocodeine [ C17 H21 N O3, overall=77.14, db=77.14, CAS ID=845-69-2, METLIN ID=2094 ]	845-69-2		Nordihydrocodeine +2.0882	+	304.1783	2.0882	77.14		(305.1856, 4680.4)(306.1893, 1213.0)	FindByMolecularFeature	C17 H21 N O3	5
N-palmitoyl glycine	N-palmitoyl glycine [ C18 H35 N O3, overall=54.92, db=54.92, Lipid ID=LMFA08020079, METLIN ID=75464 ]			N-palmitoyl glycine	+	313.2615	1.2702	54.92		(336.2468, 648.66)(314.2688, 2281.17)(315.2741, 1089.7)	FindByMolecularFeature	C18 H35 N O3	5		LMFA08020079
N-palmitoyl proline	N-palmitoyl proline [ C21 H39 N O3, overall=66.22, db=66.22, Lipid ID=LMFA08020117, METLIN ID=75499 ]			N-palmitoyl proline	+	353.293	1.2823999	66.22		(376.2855, 642.13)(354.2998, 5822.02)(355.3022, 2060.41)	FindByMolecularFeature	C21 H39 N O3	5		LMFA08020117
n-Pentadecylamine +4.1962	n-Pentadecylamine [ C15 H33 N, overall=74.67, db=74.67, CAS ID=2570-26-5, METLIN ID=34540 ]	2570-26-5		n-Pentadecylamine +4.1962	+	227.2616	4.1962	74.67		(228.2689, 4861.13)(229.2725, 1210.95)	FindByMolecularFeature	C15 H33 N	5
Orthoform	Orthoform [ C8 H9 N O3, overall=86.15, db=86.15, CAS ID=536-25-4, KEGG ID=C14171, METLIN ID=69850 ]	536-25-4		Orthoform	+	167.0582	7.6049995	86.15	C14171	(168.0654, 10986.8)(169.0693, 1115.13)(185.0941, 814.28)	FindByMolecularFeature	C8 H9 N O3	5
Pandamine	Pandamine [ C31 H44 N4 O5, overall=69.76, db=69.76, CAS ID=10233-81-5, KEGG ID=C10012, METLIN ID=68091 ]	10233-81-5		Pandamine	+	552.3314	6.428	69.76	C10012	(553.3387, 5917.02)(554.3406, 1445.03)	FindByMolecularFeature	C31 H44 N4 O5	5
PE(16:1(9Z)/0:0) +6.1692	PE(16:1(9Z)/0:0) [ C21 H42 N O7 P, overall=50.38, db=50.38, Lipid ID=LMGP02050010, METLIN ID=77676 ]			PE(16:1(9Z)/0:0) +6.1692	+	451.2734	6.1692	50.38		(452.2807, 7206.68)(453.2833, 1025.84)	FindByMolecularFeature	C21 H42 N O7 P	5		LMGP02050010
PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) +5.4258	PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) [ C43 H68 N O8 P, overall=93.37, db=93.37, Lipid ID=LMGP02010977, METLIN ID=77212 ]			PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) +5.4258	+	389.7256	5.4258	93.37		(390.7323, 3785.68)(391.7355, 1078.39)(780.4583, 15656.23)(781.4621, 6211.29)(782.4651, 1805.61)	FindByMolecularFeature	C43 H68 N O8 P	5		LMGP02010977
Phenmedipham	Phenmedipham [ C16 H16 N2 O4, overall=75.87, db=75.87, CAS ID=13684-63-4, KEGG ID=C18420, METLIN ID=72228 ]	13684-63-4		Phenmedipham	+	300.1119	1.3953999	75.87	C18420	(323.0995, 894.51)(301.1189, 11882.92)(302.1241, 2530.34)(318.1458, 3544.04)(319.1571, 867.33)	FindByMolecularFeature	C16 H16 N2 O4	5
PI(12:0/12:0) +7.3607993	PI(12:0/12:0) [ C33 H63 O13 P, overall=87.73, db=87.73, Lipid ID=LMGP06010962, METLIN ID=80984 ]			PI(12:0/12:0) +7.3607993	+	715.4281	7.3607993	87.73		(716.4354, 18121.97)(717.4376, 7490.03)(718.4425, 680.71)	FindByMolecularFeature	C33 H63 O13 P	5		LMGP06010962
Piperidine +5.9224	Piperidine [ C5 H11 N, overall=80.13, db=80.13, CAS ID=110-89-4, KEGG ID=C01746, METLIN ID=64457 ]	110-89-4		Piperidine +5.9224	+	85.089	5.9224	80.13	C01746	(86.0963, 12642.99)(87.0999, 1332.68)(103.1231, 1177.19)	FindByMolecularFeature	C5 H11 N	5
Plastoquinone-1	Plastoquinone-1 [ C13 H16 O2, overall=61.36, db=61.36, KEGG ID=C16694, METLIN ID=71287 ]			Plastoquinone-1	+	226.0962	1.9602001	61.36	C16694	(227.1033, 5933.51)(228.1137, 1158.23)(229.0989, 604.13)	FindByMolecularFeature	C13 H16 O2	5
Prilocaine	Prilocaine [ C13 H20 N2 O, overall=68.79, db=68.79, CAS ID=721-50-6, KEGG ID=C07531, METLIN ID=2073 ]	721-50-6		Prilocaine	+	220.1575	5.186	68.79	C07531	(221.1648, 7011.51)(222.1667, 1738.41)	FindByMolecularFeature	C13 H20 N2 O	5
Promacyl	Promacyl [ C16 H23 N O3, overall=91.15, db=91.15, CAS ID=34264-24-9, KEGG ID=C18955, METLIN ID=72715 ]	34264-24-9		Promacyl	+	277.1681	1.254	91.15	C18955	(300.1582, 677.44)(278.1754, 25064.82)(279.1791, 5083.01)(280.1858, 1387.13)	FindByMolecularFeature	C16 H23 N O3	5
Prosopinine	Prosopinine [ C16 H33 N O3, overall=56.48, db=56.48, Lipid ID=LMSP01080049, METLIN ID=53949 ]			Prosopinine	+	287.2463	1.3132	56.48		(288.2536, 7378.37)(289.2531, 2303.52)(290.2479, 584.25)	FindByMolecularFeature	C16 H33 N O3	5		LMSP01080049
PS(19:0/18:4(6Z,9Z,12Z,15Z))	PS(19:0/18:4(6Z,9Z,12Z,15Z)) [ C43 H76 N O10 P, overall=44.24, db=44.24, Lipid ID=LMGP03010466, METLIN ID=78130 ]			PS(19:0/18:4(6Z,9Z,12Z,15Z))	+	797.5256	1.1101999	44.24		(798.5336, 2703.43)(799.5345, 1234.3)	FindByMolecularFeature	C43 H76 N O10 P	5		LMGP03010466
Remikiren +5.3978	Remikiren [ C33 H50 N4 O6 S, overall=64.85, db=64.85, CAS ID=126222-34-2, KEGG ID=C07465, METLIN ID=66652 ]	126222-34-2		Remikiren +5.3978	+	647.3718	5.3978	64.85	C07465	(648.3791, 4292.96)(649.3832, 1680.26)	FindByMolecularFeature	C33 H50 N4 O6 S	5
Rubraflavone C +9.3562	Rubraflavone C [ C30 H34 O6, overall=45.66, db=45.66, Lipid ID=LMPK12110900, METLIN ID=49328 ]			Rubraflavone C +9.3562	+	490.2392	9.3562	45.66		(491.2472, 3579.31)(492.2488, 831.94)	FindByMolecularFeature	C30 H34 O6	5		LMPK12110900
Secbumeton	Secbumeton [ C10 H19 N5 O, overall=69.93, db=69.93, CAS ID=26259-45-0, KEGG ID=C19106, METLIN ID=72848 ]	26259-45-0		Secbumeton	+	247.1418	6.6774	69.93	C19106	(248.1491, 3791.31)(249.1511, 813.01)	FindByMolecularFeature	C10 H19 N5 O	5
Sucralose	Sucralose [ C12 H19 Cl3 O8, overall=70.20, db=70.20, CAS ID=56038-13-2, KEGG ID=C12285, METLIN ID=69411 ]	56038-13-2		Sucralose	+	413.0415	1.4248002	70.2	C12285	(414.0488, 2951.38)(415.053, 1163.52)(416.0454, 3129.35)	FindByMolecularFeature	C12 H19 Cl3 O8	5
Tauroursocholic acid +3.101	Tauroursocholic acid [ C26 H45 N O7 S, overall=74.43, db=74.43, Lipid ID=LMST05040014, METLIN ID=57999 ]			Tauroursocholic acid +3.101	+	515.2945	3.101	74.43		(516.3013, 4228.82)(517.3034, 1347.22)(518.3077, 674.54)	FindByMolecularFeature	C26 H45 N O7 S	5		LMST05040014
TG(18:0/14:0/16:1(9Z))[iso6]	TG(18:0/14:0/16:1(9Z))[iso6] [ C51 H96 O6, overall=83.91, db=83.91, METLIN ID=61732, HMP ID=HMDB10426 ]			TG(18:0/14:0/16:1(9Z))[iso6]	+	821.7468	1.1138	83.91		(822.754, 9340.08)(823.7575, 4817.7)(824.7637, 2504.47)(825.7646, 275.68)	FindByMolecularFeature	C51 H96 O6	5	HMDB10426
TG(18:0/14:0/18:1(9Z))[iso6]	TG(18:0/14:0/18:1(9Z))[iso6] [ C53 H100 O6, overall=60.14, db=60.14, METLIN ID=61735, HMP ID=HMDB10429 ]			TG(18:0/14:0/18:1(9Z))[iso6]	+	849.7777	1.2012	60.14		(850.7867, 2417.99)(851.789, 1652.7)	FindByMolecularFeature	C53 H100 O6	5	HMDB10429
Thalsimine +1.4256	Thalsimine [ C38 H40 N2 O7, overall=44.92, db=44.92, CAS ID=5525-36-0, KEGG ID=C09661, METLIN ID=67869 ]	5525-36-0		Thalsimine +1.4256	+	636.28	1.4256	44.92	C09661	(637.2873, 7236.75)(638.2892, 1768.26)	FindByMolecularFeature	C38 H40 N2 O7	5
Toluene	Toluene [ C7 H8, overall=85.44, db=85.44, CAS ID=108-88-3, KEGG ID=C01455, METLIN ID=65600 ]	108-88-3		Toluene	+	92.0628	1.1581999	85.44	C01455	(207.1133, 1866.74)(93.0701, 7536.03)(94.0729, 729.3)	FindByMolecularFeature	C7 H8	5
Trichostatin A +2.4312	Trichostatin A [ C17 H22 N2 O3, overall=67.98, db=67.98, Lipid ID=LMPK01000055, CAS ID=58880-19-6, METLIN ID=46755 ]	58880-19-6		Trichostatin A +2.4312	+	302.163	2.4312	67.98		(303.1704, 6732.25)(304.1748, 703.4)(305.1801, 672.35)	FindByMolecularFeature	C17 H22 N2 O3	5		LMPK01000055
Trp Trp Lys	Trp Trp Lys [ C28 H34 N6 O4, overall=39.48, db=39.48, METLIN ID=18683 ]			Trp Trp Lys	+	540.2414	1.2412001	39.48		(541.2493, 2164.93)(542.2538, 1570.18)	FindByMolecularFeature	C28 H34 N6 O4	5
Tyr Thr Ala	Tyr Thr Ala [ C16 H23 N3 O6, overall=72.44, db=72.44, METLIN ID=17633 ]			Tyr Thr Ala	+	370.1852	6.6468	72.44		(371.1925, 6677.09)(372.1958, 779.08)(373.1904, 567.33)	FindByMolecularFeature	C16 H23 N3 O6	5
Val Ile	Val Ile [ C11 H22 N2 O3, overall=86.12, db=86.12, METLIN ID=23923 ]			Val Ile	+	230.1634	8.787001	86.12		(231.1708, 10332.97)(232.1736, 1412.84)	FindByMolecularFeature	C11 H22 N2 O3	5
(10S)-Juvenile hormone III diol	(10S)-Juvenile hormone III diol [ C16 H28 O4, overall=44.88, db=44.88, CAS ID=, KEGG ID=C16505, METLIN ID=64605 ]			(10S)-Juvenile hormone III diol	+	284.1993	1.3235	44.88	C16505	(307.1909, 956.84)(285.2066, 3809.91)(286.2044, 1798.2)(569.4038, 1020.45)(570.4171, 739.48)	FindByMolecularFeature	C16 H28 O4	4
(4OH,8Z,t18:1) sphingosine	(4OH,8Z,t18:1) sphingosine [ C18 H37 N O3, overall=59.64, db=59.64, Lipid ID=LMSP01080009, METLIN ID=53909 ]			(4OH,8Z,t18:1) sphingosine	+	315.2776	1.33725	59.64		(316.2849, 3750.66)(317.2865, 1401.64)	FindByMolecularFeature	C18 H37 N O3	4		LMSP01080009
(E)-2-Butenyl-4-methyl-threonine +6.1850004	(E)-2-Butenyl-4-methyl-threonine [ C9 H17 N O3, overall=42.28, db=42.28, CAS ID=81135-57-1, KEGG ID=C12029, METLIN ID=69263 ]	81135-57-1		(E)-2-Butenyl-4-methyl-threonine +6.1850004	+	187.1211	6.1850004	42.28	C12029	(188.1283, 4346.03)(189.1261, 1628.79)	FindByMolecularFeature	C9 H17 N O3	4
?-Hexalactone +1.1795	?-Hexalactone [ C6 H10 O2, overall=33.19, db=33.19, CAS ID=823-22-3, METLIN ID=5442, HMP ID=HMDB00453 ]	823-22-3		?-Hexalactone +1.1795	+	114.0679	1.1795	33.19		(115.0749, 1975.35)(246.1711, 1891.11)(229.1427, 2490.02)(230.1429, 1279.97)	FindByMolecularFeature	C6 H10 O2	4	HMDB00453
?-PHENYL-gamma-Aminobutyric Acid +5.30375	?-PHENYL-gamma-Aminobutyric Acid [ C10 H13 N O2, overall=72.04, db=72.04, CAS ID=1078-21-3, METLIN ID=73557 ]	1078-21-3		?-PHENYL-gamma-Aminobutyric Acid +5.30375	+	179.0951	5.30375	72.04		(180.1024, 5066.11)(181.107, 895.49)	FindByMolecularFeature	C10 H13 N O2	4
1-(5-Hydroxy-2-pyrimidinyl)piperazine	1-(5-Hydroxy-2-pyrimidinyl)piperazine [ C8 H12 N4 O, overall=75.37, db=75.37, CAS ID=55745-85-2, METLIN ID=1453 ]	55745-85-2		1-(5-Hydroxy-2-pyrimidinyl)piperazine	+	180.1001	2.0795	75.37		(203.0901, 2626.29)(181.1072, 9760.72)(182.1148, 1159.29)(198.1344, 3561.58)	FindByMolecularFeature	C8 H12 N4 O	4
1,1-Diphenyl-2-(4-methoxyphenyl)propene	1,1-Diphenyl-2-(4-methoxyphenyl)propene [ C22 H20 O, overall=77.51, db=77.51, KEGG ID=C15179, METLIN ID=70669 ]			1,1-Diphenyl-2-(4-methoxyphenyl)propene	+	322.1349	5.8492503	77.51	C15179	(323.1425, 16862.78)(324.1459, 3572.94)(325.1442, 1336.37)	FindByMolecularFeature	C22 H20 O	4
1',2'-Dihydrochlorobactene	1',2'-Dihydrochlorobactene [ C40 H54, overall=61.34, db=61.34, Lipid ID=LMPR01070164, KEGG ID=C15910, METLIN ID=41419 ]			1',2'-Dihydrochlorobactene	+	556.4068	4.291	61.34	C15910	(557.4129, 2509.18)(558.4107, 1188.47)	FindByMolecularFeature	C40 H54	4		LMPR01070164
1,3-Butadiene	1,3-Butadiene [ C4 H6, overall=47.16, db=47.16, CAS ID=106-99-0, KEGG ID=C16450, METLIN ID=71203 ]	106-99-0		1,3-Butadiene	+	54.0464	1.85625	47.16	C16450	(131.0811, 1593.64)(55.054, 4328.3)(72.0807, 3339.22)	FindByMolecularFeature	C4 H6	4
1,4-Dioxane	1,4-Dioxane [ C4 H8 O2, overall=70.70, db=70.70, CAS ID=123-91-1, KEGG ID=C14440, METLIN ID=70063 ]	123-91-1		1,4-Dioxane	+	88.0529	1.70725	70.7	C14440	(89.0599, 8177.86)(90.06, 771.44)(177.1152, 830.57)	FindByMolecularFeature	C4 H8 O2	4
1055.2809@1.0444999				1055.2809@1.0444999	+	1055.2809	1.0444999			(1056.2882, 2756.41)(1057.2812, 2423.87)(1058.2722, 2321.37)(1059.2703, 1422.31)(1060.2683, 842.1)	FindByMolecularFeature		4
1082.7946@5.6969995				1082.7946@5.6969995	+	1082.7946	5.6969995			(1083.801, 1823.75)(1084.8007, 1131.35)	FindByMolecularFeature		4
10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid	10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid [ C12 H20 O3, overall=62.98, db=62.98, Lipid ID=LMFA01030787, METLIN ID=45792 ]			10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid	+	212.1425	1.1915	62.98		(213.1504, 2768.2)(214.1473, 579.99)(230.1747, 1248.51)(442.3206, 711.67)(425.2905, 2300.37)(426.2929, 1817.14)	FindByMolecularFeature	C12 H20 O3	4		LMFA01030787
10-nitro-9E-octadecenoic acid +1.10425	10-nitro-9E-octadecenoic acid [ C18 H33 N O4, overall=46.12, db=46.12, Lipid ID=LMFA01120003, METLIN ID=74886 ]			10-nitro-9E-octadecenoic acid +1.10425	+	327.2402	1.10425	46.12		(350.2279, 1035.77)(328.2489, 3176.16)(329.2554, 1315.2)	FindByMolecularFeature	C18 H33 N O4	4		LMFA01120003
1108.5476@1.04275				1108.5476@1.04275	+	1108.5476	1.04275			(1109.555, 6968.93)(1110.5568, 4292.83)(1111.561, 2110.26)(1126.581, 4869.6)(1127.5835, 3351.91)(1128.5873, 1708.71)	FindByMolecularFeature		4
1109.7795@5.6805				1109.7795@5.6805	+	1109.7795	5.6805			(1110.7869, 5400.09)(1111.789, 1261.7)	FindByMolecularFeature		4
1131.2806@1.01925				1131.2806@1.01925	+	1131.2806	1.01925			(1132.3065, 6399.54)(1133.3055, 3767.08)(1134.2928, 2375.07)(1135.2948, 749.11)	FindByMolecularFeature		4
1218.7678@5.6942496				1218.7678@5.6942496	+	1218.7678	5.6942496			(1219.7769, 2037.35)(1220.7743, 875.94)	FindByMolecularFeature		4
1222.3347@1.00775				1222.3347@1.00775	+	1222.3347	1.00775			(1223.342, 5749.97)(1224.3417, 4126.32)(1225.3408, 2011.0)(1226.339, 943.2)	FindByMolecularFeature		4
1296.352@1.01225				1296.352@1.01225	+	1296.352	1.01225			(1297.3593, 3083.77)(1298.3594, 2545.03)(1299.3574, 1364.59)	FindByMolecularFeature		4
12-amino-octadecanoic acid	12-amino-octadecanoic acid [ C18 H37 N O2, overall=80.56, db=80.56, METLIN ID=35927 ]			12-amino-octadecanoic acid	+	299.2822	4.17725	80.56		(300.2895, 5965.98)(301.2933, 1498.98)	FindByMolecularFeature	C18 H37 N O2	4
12-oxo-10Z-octadecenoic acid +1.3195	12-oxo-10Z-octadecenoic acid [ C18 H32 O3, overall=66.60, db=66.60, METLIN ID=35813 ]			12-oxo-10Z-octadecenoic acid +1.3195	+	296.2376	1.3195	66.6		(319.2271, 23958.09)(320.231, 5342.64)(321.2394, 1385.21)(297.2429, 3125.67)(314.2694, 1542.99)	FindByMolecularFeature	C18 H32 O3	4
13-ethyl-16,17-dihydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one	13-ethyl-16,17-dihydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one [ C21 H24 O3, overall=78.77, db=78.77, CAS ID=40559-29-3, METLIN ID=3090 ]	40559-29-3		13-ethyl-16,17-dihydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one	+	324.1716	6.11725	78.77		(325.1789, 5340.12)(326.1847, 1139.12)	FindByMolecularFeature	C21 H24 O3	4
13-hydroxy-docosanoic acid	13-hydroxy-docosanoic acid [ C22 H44 O3, overall=83.10, db=83.10, Lipid ID=LMFA01050210, METLIN ID=74587 ]			13-hydroxy-docosanoic acid	+	373.3549	4.0150003	83.1		(374.3622, 4583.61)(375.3659, 1127.71)	FindByMolecularFeature	C22 H44 O3	4		LMFA01050210
15(S)-HETE-biotin	15(S)-HETE-biotin [ C30 H48 N4 O4 S, overall=66.88, db=66.88, METLIN ID=45652 ]			15(S)-HETE-biotin	+	577.3673	4.1365	66.88		(578.3746, 4156.65)(579.3773, 1256.77)	FindByMolecularFeature	C30 H48 N4 O4 S	4
15(S)-HETE-biotin +4.476	15(S)-HETE-biotin [ C30 H48 N4 O4 S, overall=66.16, db=66.16, METLIN ID=45652 ]			15(S)-HETE-biotin +4.476	+	577.3671	4.476	66.16		(578.3744, 2505.09)(579.377, 924.41)	FindByMolecularFeature	C30 H48 N4 O4 S	4
1585.6914@5.6945004				1585.6914@5.6945004	+	1585.6914	5.6945004			(1586.696, 1748.53)(1587.7004, 1252.04)	FindByMolecularFeature		4
191.1163@6.673				191.1163@6.673	+	191.1163	6.673			(192.1236, 6975.11)(193.1337, 1193.66)(194.1179, 6304.25)(195.1219, 524.25)(196.132, 2740.76)	FindByMolecularFeature		4
1-Aminocyclohexanecarboxylic acid +1.9605	1-Aminocyclohexanecarboxylic acid [ C7 H13 N O2, overall=87.20, db=87.20, CAS ID=2756-85-6, METLIN ID=6589, HMP ID=HMDB02279 ]	2756-85-6		1-Aminocyclohexanecarboxylic acid +1.9605	+	143.0948	1.9605	87.2		(144.1021, 16030.26)(145.1049, 1443.96)	FindByMolecularFeature	C7 H13 N O2	4	HMDB02279
1-Aminocyclohexanecarboxylic acid +5.94425	1-Aminocyclohexanecarboxylic acid [ C7 H13 N O2, overall=49.80, db=49.80, CAS ID=2756-85-6, METLIN ID=6589, HMP ID=HMDB02279 ]	2756-85-6		1-Aminocyclohexanecarboxylic acid +5.94425	+	143.0948	5.94425	49.8		(144.1021, 16168.45)(145.1074, 5380.71)	FindByMolecularFeature	C7 H13 N O2	4	HMDB02279
2 -(Butylamido)-4-hydroxybutanoic acid	2 -(Butylamido)-4-hydroxybutanoic acid [ C8 H15 N O4, overall=55.67, db=55.67, KEGG ID=C11843, METLIN ID=69240 ]			2 -(Butylamido)-4-hydroxybutanoic acid	+	189.1011	6.30475	55.67	C11843	(212.0922, 2457.94)(190.1083, 4057.23)(191.1123, 993.06)	FindByMolecularFeature	C8 H15 N O4	4
2-(N-morpholino)ethanesulfonic acid	2-(N-morpholino)ethanesulfonic acid [ C6 H13 N O4 S, overall=53.58, db=53.58, CAS ID=4432-31-9, METLIN ID=44696 ]	4432-31-9		2-(N-morpholino)ethanesulfonic acid	+	195.0543	1.7594999	53.58		(196.0613, 2369.14)(213.0882, 8019.38)(214.0994, 1359.99)	FindByMolecularFeature	C6 H13 N O4 S	4
2,4-Diamino-6,7-dimethoxyquinazoline +2.2867498	2,4-Diamino-6,7-dimethoxyquinazoline [ C10 H12 N4 O2, overall=82.34, db=82.34, CAS ID=60547-96-8, METLIN ID=2461 ]	60547-96-8		2,4-Diamino-6,7-dimethoxyquinazoline +2.2867498	+	220.095	2.2867498	82.34		(221.1023, 18199.72)(222.1058, 2059.09)	FindByMolecularFeature	C10 H12 N4 O2	4
296.1727@6.52725				296.1727@6.52725	+	296.1727	6.52725			(297.18, 5303.82)(298.1773, 2305.11)(299.1722, 3440.94)	FindByMolecularFeature		4
2-Benzimidazolylguanidine +6.064	2-Benzimidazolylguanidine [ C8 H9 N5, overall=63.65, db=63.65, CAS ID=5418-95-1, KEGG ID=C10898, METLIN ID=68668 ]	5418-95-1		2-Benzimidazolylguanidine +6.064	+	175.0867	6.064	63.65	C10898	(198.0764, 4867.85)(199.0788, 925.32)(176.092, 4523.7)(177.0972, 844.96)	FindByMolecularFeature	C8 H9 N5	4
2-demethylmenaquinone-8	2-demethylmenaquinone-8 [ C50 H70 O2, overall=40.28, db=40.28, Lipid ID=LMPR02030027, METLIN ID=53845 ]			2-demethylmenaquinone-8	+	724.5141	5.10675	40.28		(725.5218, 3161.19)(726.5249, 1241.56)	FindByMolecularFeature	C50 H70 O2	4		LMPR02030027
2E,4E,8E,10E-Dodecatetraenedioic acid	2E,4E,8E,10E-Dodecatetraenedioic acid [ C12 H14 O4, overall=73.89, db=73.89, METLIN ID=35967 ]			2E,4E,8E,10E-Dodecatetraenedioic acid	+	244.0706	2.275	73.89		(245.077, 4285.3)(246.0855, 648.35)	FindByMolecularFeature	C12 H14 O4	4
2-Hexynoic acid, 6-hydroxy- +7.24475	2-Hexynoic acid, 6-hydroxy- [ C6 H8 O3, overall=46.29, db=46.29, Lipid ID=LMFA01050273, METLIN ID=74637 ]			2-Hexynoic acid, 6-hydroxy- +7.24475	+	150.0279	7.24475	46.29		(151.0353, 21021.43)(152.0369, 3969.8)	FindByMolecularFeature	C6 H8 O3	4		LMFA01050273
2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone +2.384	2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone [ C20 H20 O8, overall=63.75, db=63.75, Lipid ID=LMPK12111611, METLIN ID=50029 ]			2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone +2.384	+	405.1423	2.384	63.75		(406.1492, 3452.44)(407.1636, 863.77)	FindByMolecularFeature	C20 H20 O8	4		LMPK12111611
2-methyl-tridecanedioic acid	2-methyl-tridecanedioic acid [ C14 H26 O4, overall=56.11, db=56.11, Lipid ID=LMFA01170015, METLIN ID=74906 ]			2-methyl-tridecanedioic acid	+	258.1835	1.1765001	56.11		(281.1755, 1105.06)(259.1938, 2239.19)(276.2166, 10701.83)(277.2179, 3408.3)	FindByMolecularFeature	C14 H26 O4	4		LMFA01170015
2R-hydroperoxy-9Z,12Z,15Z-octadecatrienoic acid	2R-hydroperoxy-9Z,12Z,15Z-octadecatrienoic acid [ C18 H30 O5, overall=52.88, db=52.88, Lipid ID=LMFA02000031, METLIN ID=74953 ]			2R-hydroperoxy-9Z,12Z,15Z-octadecatrienoic acid	+	343.2334	1.1702499	52.88		(344.2406, 4998.98)(345.2453, 1246.12)(346.2367, 538.45)	FindByMolecularFeature	C18 H30 O5	4		LMFA02000031
3,3'-Dimethoxybenzidine	3,3'-Dimethoxybenzidine [ C14 H16 N2 O2, overall=66.70, db=66.70, CAS ID=119-90-4, KEGG ID=C19231, METLIN ID=72954 ]	119-90-4		3,3'-Dimethoxybenzidine	+	244.1219	1.2195	66.7	C19231	(245.1294, 4174.72)(246.1329, 1138.3)(247.1311, 618.0)	FindByMolecularFeature	C14 H16 N2 O2	4
3,3-Dimethyl-butanoic acid	3,3-Dimethyl-butanoic acid [ C6 H12 O2, overall=53.21, db=53.21, Lipid ID=LMFA01020079, CAS ID=1070-83-3, METLIN ID=4480 ]	1070-83-3		3,3-Dimethyl-butanoic acid	+	116.0839	1.38325	53.21		(255.16, 1175.88)(117.091, 4224.68)(118.0868, 677.69)	FindByMolecularFeature	C6 H12 O2	4		LMFA01020079
3,6-dioxo-decanoic acid +6.77	3,6-dioxo-decanoic acid [ C10 H16 O4, overall=84.98, db=84.98, Lipid ID=LMFA01060079, METLIN ID=74717 ]			3,6-dioxo-decanoic acid +6.77	+	217.1316	6.77	84.98		(218.1388, 34042.57)(219.1431, 3655.33)	FindByMolecularFeature	C10 H16 O4	4		LMFA01060079
3?,6?,7?,12?-Tetrahydroxy-5?-cholan-24-oic Acid	3?,6?,7?,12?-Tetrahydroxy-5?-cholan-24-oic Acid [ C24 H40 O6, overall=49.86, db=49.86, METLIN ID=42711 ]			3?,6?,7?,12?-Tetrahydroxy-5?-cholan-24-oic Acid	+	424.2836	1.336	49.86		(447.273, 1197.61)(425.2906, 2642.16)(426.2886, 1273.94)(442.3156, 1666.0)(443.3038, 302.44)(444.3036, 887.12)	FindByMolecularFeature	C24 H40 O6	4
3?,7?,12?-Trihydroxy-5?-cholan-24-oic Acid	3?,7?,12?-Trihydroxy-5?-cholan-24-oic Acid [ C24 H40 O5, overall=64.38, db=64.38, METLIN ID=42693 ]			3?,7?,12?-Trihydroxy-5?-cholan-24-oic Acid	+	430.2687	1.8400002	64.38		(431.2759, 4918.15)(432.2815, 1392.35)(433.2724, 739.91)	FindByMolecularFeature	C24 H40 O5	4
3-Acetamidopropanal +6.6522503	3-Acetamidopropanal [ C5 H9 N O2, overall=70.91, db=70.91, KEGG ID=C18170, METLIN ID=72070 ]			3-Acetamidopropanal +6.6522503	+	115.0635	6.6522503	70.91	C18170	(116.0708, 8387.44)(117.0665, 853.49)	FindByMolecularFeature	C5 H9 N O2	4
3alpha,7alpha,12alpha-Trihydroxy-5beta-23E-cholestan-26-oic acid	3alpha,7alpha,12alpha-Trihydroxy-5beta-23E-cholestan-26-oic acid [ C26 H42 O5, overall=62.11, db=62.11, Lipid ID=LMST04030199, METLIN ID=84887 ]			3alpha,7alpha,12alpha-Trihydroxy-5beta-23E-cholestan-26-oic acid	+	451.3296	1.482	62.11		(452.3364, 7681.5)(453.3359, 1514.24)	FindByMolecularFeature	C26 H42 O5	4		LMST04030199
3-Dehydrocarnitine +6.7865	3-Dehydrocarnitine [ C7 H14 N O3, overall=87.45, db=87.45, CAS ID=10457-99-5, KEGG ID=C02636, METLIN ID=958 ]	10457-99-5		3-Dehydrocarnitine +6.7865	+	159.0899	6.7865	87.45	C02636	(182.0799, 768.42)(160.097, 24398.82)(161.1002, 2104.4)	FindByMolecularFeature	C7 H14 N O3	4
3-Deoxy-3-azido-25-hydroxyvitamin D3	3-Deoxy-3-azido-25-hydroxyvitamin D3 [ C27 H43 N3 O, overall=71.81, db=71.81, Lipid ID=LMST03020677, METLIN ID=42603 ]			3-Deoxy-3-azido-25-hydroxyvitamin D3	+	447.321	1.0905	71.81		(448.3282, 4365.5)(449.3312, 1647.17)(450.3357, 864.61)	FindByMolecularFeature	C27 H43 N3 O	4		LMST03020677
3-Geranyl-4,2',4',6'-tetrahydroxy-5-prenyldihydrochalcone	3-Geranyl-4,2',4',6'-tetrahydroxy-5-prenyldihydrochalcone [ C30 H38 O5, overall=59.37, db=59.37, Lipid ID=LMPK12120523, METLIN ID=52326 ]			3-Geranyl-4,2',4',6'-tetrahydroxy-5-prenyldihydrochalcone	+	495.3013	4.02375	59.37		(496.3086, 3295.98)(497.3134, 1064.57)	FindByMolecularFeature	C30 H38 O5	4		LMPK12120523
3-O-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid	3-O-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid [ C27 H50 O9, overall=58.52, db=58.52, Lipid ID=LMFA13030001, METLIN ID=46612 ]			3-O-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid	+	540.3307	6.73275	58.52		(541.338, 15552.48)(542.3411, 3519.87)	FindByMolecularFeature	C27 H50 O9	4		LMFA13030001
3-Oxo-5beta-chola-7,11-dien-24-oic Acid +1.47975	3-Oxo-5beta-chola-7,11-dien-24-oic Acid [ C24 H34 O3, overall=70.62, db=70.62, Lipid ID=LMST04010333, METLIN ID=84642 ]			3-Oxo-5beta-chola-7,11-dien-24-oic Acid +1.47975	+	370.2505	1.47975	70.62		(371.2584, 3686.15)(372.2617, 1318.98)(373.2659, 1098.76)	FindByMolecularFeature	C24 H34 O3	4		LMST04010333
400.7564@5.658				400.7564@5.658	+	400.7564	5.658			(401.7638, 11003.5)(402.7671, 954.88)	FindByMolecularFeature		4
415.1913@1.2162501				415.1913@1.2162501	+	415.1913	1.2162501			(416.1986, 4246.85)(417.2041, 2465.9)(418.2065, 848.45)	FindByMolecularFeature		4
4-Amino-2-nitrotoluene +2.29125	4-Amino-2-nitrotoluene [ C7 H8 N2 O2, overall=94.52, db=94.52, CAS ID=119-32-4, KEGG ID=C18320, METLIN ID=72154 ]	119-32-4		4-Amino-2-nitrotoluene +2.29125	+	152.0585	2.29125	94.52	C18320	(153.0656, 33144.67)(154.0693, 2964.52)(155.0793, 732.46)	FindByMolecularFeature	C7 H8 N2 O2	4
4-Dimethylamino-L-phenylalanine +6.7560005	4-Dimethylamino-L-phenylalanine [ C11 H16 N2 O2, overall=78.01, db=78.01, KEGG ID=C18619, METLIN ID=72414 ]			4-Dimethylamino-L-phenylalanine +6.7560005	+	208.1214	6.7560005	78.01	C18619	(209.1287, 9039.37)(210.1305, 1633.74)(226.1536, 638.07)	FindByMolecularFeature	C11 H16 N2 O2	4
4-Isopropylbenzoic acid	4-Isopropylbenzoic acid [ C10 H12 O2, overall=57.38, db=57.38, CAS ID=536-66-3, KEGG ID=C06578, METLIN ID=44724 ]	536-66-3		4-Isopropylbenzoic acid	+	164.0846	1.2615	57.38	C06578	(165.0919, 3763.14)(166.0943, 1066.46)(167.0934, 3005.08)(329.1738, 674.0)	FindByMolecularFeature	C10 H12 O2	4
4-Oxo-1-(3-pyridyl)-1-butanone	4-Oxo-1-(3-pyridyl)-1-butanone [ C9 H9 N O2, overall=62.73, db=62.73, CAS ID=76014-80-7, KEGG ID=C19567, METLIN ID=73236 ]	76014-80-7		4-Oxo-1-(3-pyridyl)-1-butanone	+	163.0637	1.4430001	62.73	C19567	(164.071, 5788.38)(165.0751, 1290.23)(344.1647, 786.23)(327.1324, 1780.13)(328.1322, 778.89)	FindByMolecularFeature	C9 H9 N O2	4
4-PIOL +7.76625	4-PIOL [ C8 H12 N2 O2, overall=76.00, db=76.00, CAS ID=132033-91-1, KEGG ID=C13710, METLIN ID=69651 ]	132033-91-1		4-PIOL +7.76625	+	168.0898	7.76625	76	C13710	(169.0971, 5722.1)(170.0978, 772.58)	FindByMolecularFeature	C8 H12 N2 O2	4
4-tert-Octylphenol	4-tert-Octylphenol [ C14 H22 O, overall=86.49, db=86.49, CAS ID=140-66-9, KEGG ID=C14205, METLIN ID=69877 ]	140-66-9		4-tert-Octylphenol	+	206.1674	1.19575	86.49	C14205	(207.1746, 15953.42)(208.1775, 2598.95)	FindByMolecularFeature	C14 H22 O	4
4Z-tetradecenoic acid +1.25875	4Z-tetradecenoic acid [ C14 H26 O2, overall=47.61, db=47.61, METLIN ID=34912 ]			4Z-tetradecenoic acid +1.25875	+	226.1933	1.25875	47.61		(475.3771, 760.11)(227.2006, 4130.49)(244.2266, 1601.66)	FindByMolecularFeature	C14 H26 O2	4
4Z-tetradecenoic acid +1.3352499	4Z-tetradecenoic acid [ C14 H26 O2, overall=7.73, db=7.73, METLIN ID=34912 ]			4Z-tetradecenoic acid +1.3352499	+	226.1915	1.3352499	7.73		(249.1837, 699.48)(227.1993, 2257.89)(228.1956, 965.35)(229.1956, 1169.6)	FindByMolecularFeature	C14 H26 O2	4
5-(3,4-Dihydroxyphenyl)-5-phenylhydantoin	5-(3,4-Dihydroxyphenyl)-5-phenylhydantoin [ C15 H12 N2 O4, overall=79.52, db=79.52, CAS ID=35531-90-9, METLIN ID=1855 ]	35531-90-9		5-(3,4-Dihydroxyphenyl)-5-phenylhydantoin	+	301.1067	2.053	79.52		(302.114, 16618.85)(303.1184, 3418.78)	FindByMolecularFeature	C15 H12 N2 O4	4
561.8378@6.676				561.8378@6.676	+	561.8378	6.676			(562.8451, 22843.2)(563.8475, 2814.31)	FindByMolecularFeature		4
5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclopentyl]-6-heptenoic acid	5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclopentyl]-6-heptenoic acid [ C19 H30 O6, overall=46.08, db=46.08, Lipid ID=LMFA01040028, METLIN ID=74460 ]			5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclopentyl]-6-heptenoic acid	+	371.234	5.684	46.08		(372.2412, 13156.26)(373.244, 1353.77)	FindByMolecularFeature	C19 H30 O6	4		LMFA01040028
5-Hydroxydopamine +6.5967503	5-Hydroxydopamine [ C8 H11 N O3, overall=53.93, db=53.93, CAS ID=1927-04-4, METLIN ID=7081, HMP ID=HMDB04817 ]	4/4/1927		5-Hydroxydopamine +6.5967503	+	169.0745	6.5967503	53.93		(170.0818, 4298.06)(171.0812, 1017.53)	FindByMolecularFeature	C8 H11 N O3	4	HMDB04817
5Z,9Z-Tridecadienyl acetate +1.1930001	5Z,9Z-Tridecadienyl acetate [ C15 H26 O2, overall=42.75, db=42.75, Lipid ID=LMFA05000326, METLIN ID=46277 ]			5Z,9Z-Tridecadienyl acetate +1.1930001	+	238.1945	1.1930001	42.75		(239.1997, 2811.43)(256.2282, 5163.07)	FindByMolecularFeature	C15 H26 O2	4		LMFA05000326
6-(alpha-D-Glucosaminyl)-1D-myo-inositol	6-(alpha-D-Glucosaminyl)-1D-myo-inositol [ C12 H23 N O10, overall=76.98, db=76.98, KEGG ID=C15658, METLIN ID=62408, HMP ID=HMDB11668 ]			6-(alpha-D-Glucosaminyl)-1D-myo-inositol	+	341.1323	2.6295	76.98	C15658	(342.1394, 6421.16)(343.1461, 909.6)	FindByMolecularFeature	C12 H23 N O10	4	HMDB11668
671.5474@1.0775				671.5474@1.0775	+	671.5474	1.0775			(672.5547, 1746.66)(673.5583, 981.91)(674.5715, 3018.89)(675.5701, 1543.4)(676.5848, 1313.55)	FindByMolecularFeature		4
6-Hydroxyindolelactate +1.861	6-Hydroxyindolelactate [ C11 H11 N O4, overall=72.91, db=72.91, KEGG ID=C05657, METLIN ID=66327 ]			6-Hydroxyindolelactate +1.861	+	221.0691	1.861	72.91	C05657	(222.0766, 2036.71)(239.103, 9245.15)(240.1062, 1342.6)(241.1112, 1121.52)	FindByMolecularFeature	C11 H11 N O4	4
6-Sialyl-N-acetyllactosamine	6-Sialyl-N-acetyllactosamine [ C25 H42 N2 O19, overall=54.00, db=54.00, CAS ID=78969-47-8, METLIN ID=58472, HMP ID=HMDB06584 ]	78969-47-8		6-Sialyl-N-acetyllactosamine	+	674.2413	1.4389999	54		(675.2481, 2371.08)(676.2497, 1100.3)	FindByMolecularFeature	C25 H42 N2 O19	4	HMDB06584
7,8-Diaminononanoate	7,8-Diaminononanoate [ C9 H20 N2 O2, overall=96.80, db=96.80, CAS ID=21738-21-6, KEGG ID=C01037, METLIN ID=3324 ]	21738-21-6		7,8-Diaminononanoate	+	188.1525	9.892	96.8	C01037	(189.1598, 38502.52)(190.1631, 5355.02)(191.1643, 706.51)	FindByMolecularFeature	C9 H20 N2 O2	4
737.617@1.01775				737.617@1.01775	+	737.617	1.01775			(738.6243, 2467.69)(739.6291, 1263.88)(740.6402, 4535.96)(741.643, 2091.33)(742.6386, 665.21)	FindByMolecularFeature		4
7-Oxoheptanoic acid +6.91475	7-Oxoheptanoic acid [ C7 H12 O3, overall=62.27, db=62.27, KEGG ID=C16590, METLIN ID=71248 ]			7-Oxoheptanoic acid +6.91475	+	161.1055	6.91475	62.27	C16590	(162.1128, 10420.64)(163.121, 1514.11)	FindByMolecularFeature	C7 H12 O3	4
7-Tridecenoic acid; C13:1n-6 +1.0925	7-Tridecenoic acid; C13:1n-6 [ C13 H24 O2, overall=47.22, db=47.22, Lipid ID=LMFA01030595, METLIN ID=74252 ]			7-Tridecenoic acid; C13:1n-6 +1.0925	+	212.1787	1.0925	47.22		(235.1686, 1140.16)(447.3471, 1482.0)(213.1852, 1574.19)(425.363, 726.44)	FindByMolecularFeature	C13 H24 O2	4		LMFA01030595
839.6485@1.00825				839.6485@1.00825	+	839.6485	1.00825			(840.6558, 2557.85)(841.6608, 1215.88)(842.6748, 1376.43)(843.6811, 744.22)	FindByMolecularFeature		4
8Z-undecenoic acid	8Z-undecenoic acid [ C11 H20 O2, overall=31.69, db=31.69, METLIN ID=34886 ]			8Z-undecenoic acid	+	184.1473	1.29375	31.69		(207.1378, 1397.12)(391.2841, 4099.44)(392.2883, 812.99)(393.2947, 1450.62)(185.154, 3146.3)	FindByMolecularFeature	C11 H20 O2	4
9,10-epoxy-13-oxo-11-octadecenoic acid	9,10-epoxy-13-oxo-11-octadecenoic acid [ C18 H30 O4, overall=85.03, db=85.03, METLIN ID=35865 ]			9,10-epoxy-13-oxo-11-octadecenoic acid	+	310.2146	1.3752501	85.03		(333.2054, 928.48)(311.2215, 16279.63)(312.2249, 3414.99)(328.2498, 591.31)	FindByMolecularFeature	C18 H30 O4	4
9,10-epoxy-13-oxo-11-octadecenoic acid +1.129	9,10-epoxy-13-oxo-11-octadecenoic acid [ C18 H30 O4, overall=58.28, db=58.28, METLIN ID=35865 ]			9,10-epoxy-13-oxo-11-octadecenoic acid +1.129	+	310.2137	1.129	58.28		(333.2045, 936.46)(311.2224, 2556.4)(312.2285, 812.08)(328.2488, 2860.01)(329.247, 905.16)	FindByMolecularFeature	C18 H30 O4	4
998.2808@1.00875				998.2808@1.00875	+	998.2808	1.00875			(999.2881, 22103.15)(1000.2866, 21064.71)(1001.2866, 13204.66)	FindByMolecularFeature		4
9-Chloro-11beta,17beta-dihydroxy-17-methylandrost-4-en-3-one	9-Chloro-11beta,17beta-dihydroxy-17-methylandrost-4-en-3-one [ C20 H29 Cl O3, overall=63.66, db=63.66, KEGG ID=C15400, METLIN ID=70869 ]			9-Chloro-11beta,17beta-dihydroxy-17-methylandrost-4-en-3-one	+	352.1835	1.3314999	63.66	C15400	(353.1897, 2524.26)(354.1931, 780.06)(355.1885, 551.0)	FindByMolecularFeature	C20 H29 Cl O3	4
9-hydroxy-16-oxo-hexadecanoic acid	9-hydroxy-16-oxo-hexadecanoic acid [ C16 H30 O4, overall=62.42, db=62.42, Lipid ID=LMFA01170059, METLIN ID=74929 ]			9-hydroxy-16-oxo-hexadecanoic acid	+	286.2153	1.13325	62.42		(287.2226, 4825.7)(288.2213, 1318.13)(304.2519, 1346.73)	FindByMolecularFeature	C16 H30 O4	4		LMFA01170059
9Z,12E,15Z-octadecatrienoic acid +1.33575	9Z,12E,15Z-octadecatrienoic acid [ C18 H30 O2, overall=67.17, db=67.17, METLIN ID=35016 ]			9Z,12E,15Z-octadecatrienoic acid +1.33575	+	278.2269	1.33575	67.17		(301.2164, 15095.44)(302.2192, 3060.98)(279.2323, 1752.05)(280.247, 783.74)(296.2558, 922.52)	FindByMolecularFeature	C18 H30 O2	4
Acetone cyanohydrin	Acetone cyanohydrin [ C4 H7 N O, overall=64.61, db=64.61, CAS ID=75-86-5, KEGG ID=C02659, METLIN ID=63623 ]	75-86-5		Acetone cyanohydrin	+	85.0529	2.101	64.61	C02659	(86.06, 8017.19)(87.0625, 1313.55)	FindByMolecularFeature	C4 H7 N O	4
Acetylagmatine	Acetylagmatine [ C7 H16 N4 O, overall=72.09, db=72.09, CAS ID=3031-89-8, KEGG ID=C02131, METLIN ID=65718 ]	3031-89-8		Acetylagmatine	+	194.1141	6.92375	72.09	C02131	(195.1215, 9232.38)(196.131, 1052.28)(197.1292, 649.14)	FindByMolecularFeature	C7 H16 N4 O	4
Acetyleugenol	Acetyleugenol [ C12 H14 O3, overall=18.35, db=18.35, CAS ID=93-28-7, KEGG ID=C14567, METLIN ID=70162 ]	93-28-7		Acetyleugenol	+	206.097	1.5692501	18.35	C14567	(207.1046, 1263.03)(224.1312, 2875.51)	FindByMolecularFeature	C12 H14 O3	4
Aknadicine	Aknadicine [ C19 H23 N O5, overall=79.57, db=79.57, CAS ID=24148-89-8, KEGG ID=C09325, METLIN ID=67603 ]	24148-89-8		Aknadicine	+	345.1581	1.3425	79.57	C09325	(368.1441, 810.88)(346.1653, 5451.01)(347.1687, 1408.58)	FindByMolecularFeature	C19 H23 N O5	4
Albomaculine	Albomaculine [ C19 H23 N O5, overall=83.01, db=83.01, CAS ID=668-63-3, KEGG ID=C08515, METLIN ID=67036 ]	668-63-3		Albomaculine	+	345.157	6.389	83.01	C08515	(346.1642, 3128.12)(347.1674, 685.37)	FindByMolecularFeature	C19 H23 N O5	4
allopurinol +3.156	allopurinol [ C5 H4 N4 O, overall=51.93, db=51.93, CAS ID=315-30-0, KEGG ID=C06816, METLIN ID=865 ]	315-30-0		allopurinol +3.156	+	136.0386	3.156	51.93	C06816	(137.0459, 5906.61)(138.0552, 928.07)(139.0517, 1023.87)	FindByMolecularFeature	C5 H4 N4 O	4
all-trans-hexaprenyl diphosphate +5.21775	all-trans-hexaprenyl diphosphate [ C30 H52 O7 P2, overall=73.74, db=73.74, Lipid ID=LMPR03030005, KEGG ID=C01230, METLIN ID=53853 ]			all-trans-hexaprenyl diphosphate +5.21775	+	603.3452	5.21775	73.74	C01230	(604.3543, 3653.34)(605.3571, 1201.1)	FindByMolecularFeature	C30 H52 O7 P2	4		LMPR03030005
alpha-[3-(Nitrosoamino)propyl]-3-pyridinemethanol	alpha-[3-(Nitrosoamino)propyl]-3-pyridinemethanol [ C9 H13 N3 O2, overall=76.22, db=76.22, KEGG ID=C19581, METLIN ID=73243 ]			alpha-[3-(Nitrosoamino)propyl]-3-pyridinemethanol	+	212.1276	6.26425	76.22	C19581	(213.1348, 28511.71)(214.1409, 3744.08)	FindByMolecularFeature	C9 H13 N3 O2	4
alpha-Amylcinnamaldehyde	alpha-Amylcinnamaldehyde [ C14 H18 O, overall=75.07, db=75.07, CAS ID=122-40-7, KEGG ID=C12288, METLIN ID=69414 ]	122-40-7		alpha-Amylcinnamaldehyde	+	224.1164	2.041	75.07	C12288	(225.1236, 7114.62)(226.1286, 1317.03)	FindByMolecularFeature	C14 H18 O	4
Anastrozole	Anastrozole [ C17 H19 N5, overall=63.39, db=63.39, CAS ID=120511-73-1, KEGG ID=C08159, METLIN ID=555 ]	120511-73-1		Anastrozole	+	310.1889	6.55825	63.39	C08159	(311.1965, 4235.99)(312.1983, 1286.84)	FindByMolecularFeature	C17 H19 N5	4
Anthranilic acid +5.6640005	Anthranilic acid [ C7 H7 N O2, overall=63.18, db=63.18, CAS ID=118-92-3, KEGG ID=C00108, METLIN ID=317 ]	118-92-3		Anthranilic acid +5.6640005	+	137.0476	5.6640005	63.18	C00108	(138.0548, 11993.45)(139.0556, 2000.87)	FindByMolecularFeature	C7 H7 N O2	4
Arecoline	Arecoline [ C8 H13 N O2, overall=85.58, db=85.58, CAS ID=300-08-3, KEGG ID=C10129, METLIN ID=43570 ]	300-08-3		Arecoline	+	155.0949	1.4455	85.58	C10129	(156.1021, 12609.17)(157.1046, 888.7)	FindByMolecularFeature	C8 H13 N O2	4
Asn Arg His	Asn Arg His [ C16 H27 N9 O5, overall=70.75, db=70.75, METLIN ID=22946 ]			Asn Arg His	+	447.1973	7.046	70.75		(448.204, 3611.61)(449.2071, 1013.45)	FindByMolecularFeature	C16 H27 N9 O5	4
Atorvastatin +1.8387501	Atorvastatin [ C33 H35 F N2 O5, overall=61.21, db=61.21, CAS ID=134523-00-5, KEGG ID=C06834, METLIN ID=1136, HMP ID=HMDB05006 ]	134523-00-5		Atorvastatin +1.8387501	+	558.2519	1.8387501	61.21	C06834	(559.26, 2776.66)(560.263, 1587.63)	FindByMolecularFeature	C33 H35 F N2 O5	4	HMDB05006
Bestatin +3.3625	Bestatin [ C16 H24 N2 O4, overall=74.51, db=74.51, CAS ID=65391-42-6, KEGG ID=C00732, METLIN ID=63060 ]	65391-42-6		Bestatin +3.3625	+	308.174	3.3625	74.51	C00732	(331.1613, 939.12)(309.1811, 3536.3)(310.1866, 811.48)(311.1858, 461.72)	FindByMolecularFeature	C16 H24 N2 O4	4
Bis (2-hydroxypropyl) amine +5.68275	Bis (2-hydroxypropyl) amine [ C6 H15 N O2, overall=87.10, db=87.10, CAS ID=110-97-4, METLIN ID=44741 ]	110-97-4		Bis (2-hydroxypropyl) amine +5.68275	+	155.0923	5.68275	87.1		(156.0996, 48628.12)(157.1027, 4130.74)	FindByMolecularFeature	C6 H15 N O2	4
Brucine	Brucine [ C23 H26 N2 O4, overall=77.92, db=77.92, CAS ID=4845-99-2, KEGG ID=C09084, METLIN ID=43921 ]	4845-99-2		Brucine	+	394.1901	1.40775	77.92	C09084	(395.1973, 3937.61)(396.2009, 1171.05)	FindByMolecularFeature	C23 H26 N2 O4	4
butalbital	butalbital [ C11 H16 N2 O3, overall=69.42, db=69.42, CAS ID=77-26-9, METLIN ID=3941 ]	77-26-9		butalbital	+	224.1168	1.67575	69.42		(225.1239, 10265.01)(226.1259, 2269.57)	FindByMolecularFeature	C11 H16 N2 O3	4
butalbital +2.6065	butalbital [ C11 H16 N2 O3, overall=61.59, db=61.59, CAS ID=77-26-9, METLIN ID=3941 ]	77-26-9		butalbital +2.6065	+	224.1169	2.6065	61.59		(225.1242, 4248.52)(226.1268, 1127.94)(227.121, 855.66)	FindByMolecularFeature	C11 H16 N2 O3	4
C10 H17 N5 O3 +2.91275	[ C10 H17 N5 O3, overall=47.73, db=0.00, mfg=95.46 ]			C10 H17 N5 O3 +2.91275	+	255.1325	2.91275	47.73		(256.1397, 23414.43)(257.1428, 3371.16)(258.1454, 904.75)	FindByMolecularFeature	C10 H17 N5 O3	4
C10 H20 N4 +9.467751	[ C10 H20 N4, overall=38.54, db=0.00, mfg=77.08 ]			C10 H20 N4 +9.467751	+	196.169	9.467751	38.54		(197.1762, 7923.22)(198.1796, 1492.3)	FindByMolecularFeature	C10 H20 N4	4
C11 H18 O4	[ C11 H18 O4, overall=23.20, db=0.00, mfg=46.41 ]			C11 H18 O4	+	214.121	1.096	23.2		(215.1283, 1940.96)(446.2763, 2360.19)	FindByMolecularFeature	C11 H18 O4	4
C11 H19 N O2	[ C11 H19 N O2, overall=37.51, db=0.00, mfg=75.03 ]			C11 H19 N O2	+	197.142	1.18625	37.51		(198.1493, 11860.42)(199.1514, 2263.16)(412.3199, 666.01)	FindByMolecularFeature	C11 H19 N O2	4
C11 H19 N5 O2	[ C11 H19 N5 O2, overall=39.08, db=0.00, mfg=78.17 ]			C11 H19 N5 O2	+	253.1541	6.2912498	39.08		(254.1612, 11889.46)(255.1644, 2384.01)	FindByMolecularFeature	C11 H19 N5 O2	4
C11 H20 N7 O3	[ C11 H20 N7 O3, overall=39.29, db=0.00, mfg=78.58 ]			C11 H20 N7 O3	+	298.163	3.1009998	39.29		(321.1567, 3206.31)(322.1618, 787.8)(299.1702, 6451.6)(300.1734, 1304.59)	FindByMolecularFeature	C11 H20 N7 O3	4
C11 H23 N8	[ C11 H23 N8, overall=36.98, db=0.00, mfg=73.97 ]			C11 H23 N8	+	267.2052	1.3395001	36.98		(290.1973, 1489.5)(268.2123, 3352.83)(269.2123, 710.2)	FindByMolecularFeature	C11 H23 N8	4
C11 H23 N8 O2	[ C11 H23 N8 O2, overall=45.82, db=0.00, mfg=91.65 ]			C11 H23 N8 O2	+	299.1947	2.7389998	45.82		(300.202, 14224.54)(301.2058, 2244.72)(302.2049, 732.45)	FindByMolecularFeature	C11 H23 N8 O2	4
C12 H14 N4	[ C12 H14 N4, overall=23.13, db=0.00, mfg=46.25 ]			C12 H14 N4	+	214.1219	1.128	23.13		(237.1105, 1010.52)(215.1282, 2696.33)(216.1294, 928.27)(429.2444, 702.24)	FindByMolecularFeature	C12 H14 N4	4
C13 H16 Cl3 N6 O S2	[ C13 H16 Cl3 N6 O S2, overall=23.81, db=0.00, mfg=47.62 ]			C13 H16 Cl3 N6 O S2	+	440.9891	5.4127502	23.81		(463.9785, 3618.08)(441.9966, 3668.1)(882.9855, 639.68)	FindByMolecularFeature	C13 H16 Cl3 N6 O S2	4
C13 H16 N7 O	[ C13 H16 N7 O, overall=26.75, db=0.00, mfg=53.50 ]			C13 H16 N7 O	+	286.1432	1.0957501	26.75		(287.146, 1847.12)(288.1451, 850.26)(304.1766, 5004.2)(305.1738, 1701.82)	FindByMolecularFeature	C13 H16 N7 O	4
C13 H19 N O5	[ C13 H19 N O5, overall=42.59, db=0.00, mfg=85.18 ]			C13 H19 N O5	+	269.1263	6.894	42.59		(270.1335, 13587.35)(271.1377, 2050.51)(287.1593, 3126.85)(288.1654, 783.11)	FindByMolecularFeature	C13 H19 N O5	4
C13 H22 N4	[ C13 H22 N4, overall=23.81, db=0.00, mfg=47.62 ]			C13 H22 N4	+	234.1848	1.22725	23.81		(235.1913, 2322.49)(252.2183, 1885.12)	FindByMolecularFeature	C13 H22 N4	4
C14 H24 N4 O4	[ C14 H24 N4 O4, overall=40.67, db=0.00, mfg=81.34 ]			C14 H24 N4 O4	+	312.1796	6.46725	40.67		(335.1696, 894.26)(313.1869, 6101.69)(314.1908, 1266.72)	FindByMolecularFeature	C14 H24 N4 O4	4
C14 H41 N11 S	[ C14 H41 N11 S, overall=40.70, db=0.00, mfg=81.39 ]			C14 H41 N11 S	+	395.3251	1.2825	40.7		(396.3324, 6960.26)(397.3362, 935.81)(398.333, 521.68)	FindByMolecularFeature	C14 H41 N11 S	4
C15 H19 N14 O6	[ C15 H19 N14 O6, overall=39.49, db=0.00, mfg=78.97 ]			C15 H19 N14 O6	+	491.161	6.0607495	39.49		(492.1682, 9677.96)(493.1723, 2355.45)	FindByMolecularFeature	C15 H19 N14 O6	4
C16 H18 N9 +2.53575	[ C16 H18 N9, overall=42.50, db=0.00, mfg=84.99 ]			C16 H18 N9 +2.53575	+	336.1685	2.53575	42.5		(359.1576, 1336.18)(337.1761, 5049.07)(338.1789, 1139.14)	FindByMolecularFeature	C16 H18 N9	4
C16 H31 N5 O2	[ C16 H31 N5 O2, overall=38.43, db=0.00, mfg=76.85 ]			C16 H31 N5 O2	+	325.2466	1.3955	38.43		(326.2539, 3724.71)(327.2585, 880.62)	FindByMolecularFeature	C16 H31 N5 O2	4
C16 H39 N4 O2	[ C16 H39 N4 O2, overall=30.14, db=0.00, mfg=60.29 ]			C16 H39 N4 O2	+	319.3081	1.12075	30.14		(320.3153, 2935.4)(321.317, 1079.32)	FindByMolecularFeature	C16 H39 N4 O2	4
C17 H18 N6 +3.61975	[ C17 H18 N6, overall=36.47, db=0.00, mfg=72.94 ]			C17 H18 N6 +3.61975	+	306.1584	3.61975	36.47		(329.1477, 1023.87)(307.1656, 4187.47)(308.1716, 1088.79)	FindByMolecularFeature	C17 H18 N6	4
C17 H24 N2 O3 +6.2105002	[ C17 H24 N2 O3, overall=33.92, db=0.00, mfg=67.84 ]			C17 H24 N2 O3 +6.2105002	+	304.1783	6.2105002	33.92		(327.1675, 628.6)(305.1856, 2889.77)(306.1884, 899.2)	FindByMolecularFeature	C17 H24 N2 O3	4
C17 H36 N9 O	[ C17 H36 N9 O, overall=26.46, db=0.00, mfg=52.93 ]			C17 H36 N9 O	+	382.3078	1.10975	26.46		(405.2987, 798.58)(383.3119, 2339.37)(384.31, 911.01)	FindByMolecularFeature	C17 H36 N9 O	4
C17 H37 N +4.341	[ C17 H37 N, overall=33.09, db=0.00, mfg=66.18 ]			C17 H37 N +4.341	+	255.2927	4.341	33.09		(256.2999, 4119.73)(257.3025, 1330.62)	FindByMolecularFeature	C17 H37 N	4
C17 H44 N16 O7	[ C17 H44 N16 O7, overall=39.35, db=0.00, mfg=78.70 ]			C17 H44 N16 O7	+	584.3565	6.9475	39.35		(585.3638, 17547.63)(586.3677, 4272.97)	FindByMolecularFeature	C17 H44 N16 O7	4
C18 H21 N5 O2	[ C18 H21 N5 O2, overall=37.47, db=0.00, mfg=74.94 ]			C18 H21 N5 O2	+	339.1683	1.27775	37.47		(362.1549, 675.05)(340.1757, 7599.91)(341.1827, 1849.81)	FindByMolecularFeature	C18 H21 N5 O2	4
C20 H37 N15 O	[ C20 H37 N15 O, overall=40.51, db=0.00, mfg=81.02 ]			C20 H37 N15 O	+	503.3305	3.534	40.51		(504.3379, 2666.63)(505.3396, 823.69)	FindByMolecularFeature	C20 H37 N15 O	4
C22 H22 N3 O24	[ C22 H22 N3 O24, overall=28.82, db=0.00, mfg=57.63 ]			C22 H22 N3 O24	+	712.0598	2.23925	28.82		(713.0669, 8482.04)(714.0642, 1228.28)	FindByMolecularFeature	C22 H22 N3 O24	4
C22 H41 O4	[ C22 H41 O4, overall=30.82, db=0.00, mfg=61.64 ]			C22 H41 O4	+	369.2992	1.6837499	30.82		(370.3058, 3142.96)(371.3147, 1065.25)	FindByMolecularFeature	C22 H41 O4	4
C22 H45 N8 O2	[ C22 H45 N8 O2, overall=41.04, db=0.00, mfg=82.09 ]			C22 H45 N8 O2	+	453.3663	1.4237499	41.04		(454.3736, 4689.66)(455.3777, 1255.02)	FindByMolecularFeature	C22 H45 N8 O2	4
C22 H47 N O12 +6.46375	[ C22 H47 N O12, overall=47.87, db=0.00, mfg=95.73 ]			C22 H47 N O12 +6.46375	+	517.3098	6.46375	47.87		(518.317, 28593.05)(519.3208, 6524.84)(520.3277, 568.07)	FindByMolecularFeature	C22 H47 N O12	4
C22:5n-3,7,10,14,18	C22:5n-3,7,10,14,18 [ C22 H34 O2, overall=54.59, db=54.59, Lipid ID=LMFA01030183, METLIN ID=73871 ]			C22:5n-3,7,10,14,18	+	352.2402	1.47875	54.59		(353.2474, 7098.21)(354.2505, 1977.61)(355.257, 1283.39)	FindByMolecularFeature	C22 H34 O2	4		LMFA01030183
C23 H12 N11 O13	[ C23 H12 N11 O13, overall=38.29, db=0.00, mfg=76.59 ]			C23 H12 N11 O13	+	650.0609	8.6755	38.29		(651.068, 4265.74)(652.0712, 1194.4)	FindByMolecularFeature	C23 H12 N11 O13	4
C24 H2 N O23 +7.0942497	[ C24 H2 N O23, overall=31.69, db=0.00, mfg=63.39 ]			C24 H2 N O23 +7.0942497	+	671.9034	7.0942497	31.69		(672.9106, 18968.04)(673.9127, 3055.55)	FindByMolecularFeature	C24 H2 N O23	4
C24 H2 O28 S +5.6775	[ C24 H2 O28 S, overall=29.10, db=0.00, mfg=58.20 ]			C24 H2 O28 S +5.6775	+	769.844	5.6775	29.1		(770.8512, 9862.31)(771.8534, 1387.45)	FindByMolecularFeature	C24 H2 O28 S	4
C24 H44 O18	[ C24 H44 O18, overall=49.63, db=0.00, mfg=99.27 ]			C24 H44 O18	+	620.2525	6.05725	49.63		(643.2417, 49769.3)(644.2453, 12596.75)(645.2477, 3593.4)(646.25, 701.05)(621.2608, 2741.35)(622.2643, 871.4)(638.2865, 11946.05)(639.2906, 3082.78)(640.2921, 1011.6)	FindByMolecularFeature	C24 H44 O18	4
C24 H45 N15 O3	[ C24 H45 N15 O3, overall=38.38, db=0.00, mfg=76.76 ]			C24 H45 N15 O3	+	591.3831	3.76975	38.38		(592.3904, 3504.51)(593.3946, 1178.03)	FindByMolecularFeature	C24 H45 N15 O3	4
C24 H51 N O13	[ C24 H51 N O13, overall=40.16, db=0.00, mfg=80.33 ]			C24 H51 N O13	+	561.3361	6.6675	40.16		(562.3432, 44333.27)(563.347, 6935.61)(564.3506, 319.47)	FindByMolecularFeature	C24 H51 N O13	4
C25 H53 N6 O11	[ C25 H53 N6 O11, overall=37.38, db=0.00, mfg=74.76 ]			C25 H53 N6 O11	+	613.378	6.99475	37.38		(614.3853, 12785.52)(615.3885, 3073.62)	FindByMolecularFeature	C25 H53 N6 O11	4
C26 H23 N13 O2 S2	[ C26 H23 N13 O2 S2, overall=42.21, db=0.00, mfg=84.42 ]			C26 H23 N13 O2 S2	+	613.1554	1.02775	42.21		(614.1627, 10327.99)(615.1615, 4184.78)(616.1591, 1610.84)(631.194, 2415.89)(632.191, 1303.57)	FindByMolecularFeature	C26 H23 N13 O2 S2	4
C26 H6 N O24 +7.312	[ C26 H6 N O24, overall=31.23, db=0.00, mfg=62.45 ]			C26 H6 N O24 +7.312	+	715.9297	7.312	31.23		(716.9364, 11310.65)(717.9405, 1856.38)	FindByMolecularFeature	C26 H6 N O24	4
C27 H51 N O S	[ C27 H51 N O S, overall=33.78, db=0.00, mfg=67.55 ]			C27 H51 N O S	+	437.3727	1.2427499	33.78		(438.38, 2902.47)(439.3832, 965.99)(440.3653, 646.31)	FindByMolecularFeature	C27 H51 N O S	4
C27 H57 N11 O2	[ C27 H57 N11 O2, overall=38.09, db=0.00, mfg=76.19 ]			C27 H57 N11 O2	+	567.4696	1.23575	38.09		(568.4769, 3270.38)(569.4807, 1221.48)	FindByMolecularFeature	C27 H57 N11 O2	4
C28 H2 N4 O26 S3	[ C28 H2 N4 O26 S3, overall=23.93, db=0.00, mfg=47.86 ]			C28 H2 N4 O26 S3	+	905.8181	5.66675	23.93		(906.825, 7390.41)(907.8285, 1210.95)(908.8277, 616.29)	FindByMolecularFeature	C28 H2 N4 O26 S3	4
C28 H24 Cl N8	[ C28 H24 Cl N8, overall=39.15, db=0.00, mfg=78.29 ]			C28 H24 Cl N8	+	507.1813	1.04775	39.15		(508.1885, 3232.68)(509.191, 1393.34)(510.1855, 1132.33)	FindByMolecularFeature	C28 H24 Cl N8	4
C28 H34 N O6 S4	[ C28 H34 N O6 S4, overall=43.36, db=0.00, mfg=86.72 ]			C28 H34 N O6 S4	+	608.1261	2.7855	43.36		(609.1331, 2722.95)(610.1366, 861.65)(611.1366, 653.56)	FindByMolecularFeature	C28 H34 N O6 S4	4
C28 H48 N6 O21	[ C28 H48 N6 O21, overall=49.24, db=0.00, mfg=98.49 ]			C28 H48 N6 O21	+	804.2875	6.582	49.24		(805.2947, 10694.92)(806.2981, 3731.62)(807.3, 1105.86)	FindByMolecularFeature	C28 H48 N6 O21	4
C29 H51 N8 O4	[ C29 H51 N8 O4, overall=38.11, db=0.00, mfg=76.22 ]			C29 H51 N8 O4	+	575.4032	1.588	38.11		(576.4104, 3031.15)(577.4142, 1122.74)	FindByMolecularFeature	C29 H51 N8 O4	4
C29 H57 N7 O11	[ C29 H57 N7 O11, overall=36.86, db=0.00, mfg=73.72 ]			C29 H57 N7 O11	+	679.4122	8.8465	36.86		(680.4194, 5621.98)(681.4229, 1637.19)	FindByMolecularFeature	C29 H57 N7 O11	4
C32 H40 N11 O2	[ C32 H40 N11 O2, overall=38.07, db=0.00, mfg=76.13 ]			C32 H40 N11 O2	+	610.3362	1.4742501	38.07		(611.3435, 4239.17)(612.3468, 1603.59)	FindByMolecularFeature	C32 H40 N11 O2	4
C33 H29 N11 O2 S3	[ C33 H29 N11 O2 S3, overall=42.77, db=0.00, mfg=85.53 ]			C33 H29 N11 O2 S3	+	707.1671	1.05475	42.77		(708.1744, 3143.89)(709.1768, 1375.81)(710.1697, 875.28)	FindByMolecularFeature	C33 H29 N11 O2 S3	4
C35 H22 N13 O2 S	[ C35 H22 N13 O2 S, overall=42.16, db=0.00, mfg=84.32 ]			C35 H22 N13 O2 S	+	688.1753	1.0222499	42.16		(689.1826, 40402.51)(690.1804, 18164.65)(691.1796, 6598.45)	FindByMolecularFeature	C35 H22 N13 O2 S	4
C35 H39	[ C35 H39, overall=39.05, db=0.00, mfg=78.11 ]			C35 H39	+	459.3042	3.1835	39.05		(460.3125, 2860.33)(461.3157, 1013.26)	FindByMolecularFeature	C35 H39	4
C36 H50 N8 O3	[ C36 H50 N8 O3, overall=33.20, db=0.00, mfg=66.41 ]			C36 H50 N8 O3	+	642.3996	7.06475	33.2		(643.4063, 1883.54)(644.414, 714.23)	FindByMolecularFeature	C36 H50 N8 O3	4
C36 H71 N O6 S2	[ C36 H71 N O6 S2, overall=43.58, db=0.00, mfg=87.16 ]			C36 H71 N O6 S2	+	677.4709	1.8975	43.58		(678.4781, 3397.9)(679.4816, 1438.52)(680.4853, 735.3)	FindByMolecularFeature	C36 H71 N O6 S2	4
C38 H60 N4 O4	[ C38 H60 N4 O4, overall=35.19, db=0.00, mfg=70.38 ]			C38 H60 N4 O4	+	636.4616	4.6854997	35.19		(637.4684, 2503.04)(638.4717, 1157.47)	FindByMolecularFeature	C38 H60 N4 O4	4
C39 H50 N9 O3	[ C39 H50 N9 O3, overall=48.16, db=0.00, mfg=96.32 ]			C39 H50 N9 O3	+	692.4036	1.2420001	48.16		(693.4108, 6308.64)(694.4142, 3177.65)(695.4185, 808.67)	FindByMolecularFeature	C39 H50 N9 O3	4
C39 H52 N27	[ C39 H52 N27, overall=33.06, db=0.00, mfg=66.13 ]			C39 H52 N27	+	898.4909	1.692	33.06		(921.4783, 1586.43)(922.4828, 691.8)(899.4986, 2140.34)(900.5008, 1332.1)(916.5233, 1016.25)(917.5238, 834.79)	FindByMolecularFeature	C39 H52 N27	4
C40 H16 Cl N10	[ C40 H16 Cl N10, overall=44.26, db=0.00, mfg=88.52 ]			C40 H16 Cl N10	+	671.1252	1.0267501	44.26		(672.1325, 9883.19)(673.1348, 6235.66)(674.1321, 4805.19)(675.1304, 1872.59)	FindByMolecularFeature	C40 H16 Cl N10	4
C40 H38 N5 O3	[ C40 H38 N5 O3, overall=32.83, db=0.00, mfg=65.66 ]			C40 H38 N5 O3	+	636.2977	1.10025	32.83		(659.2882, 831.01)(637.3056, 1821.41)(638.3091, 1036.7)(654.3307, 6214.99)(655.3349, 3329.02)	FindByMolecularFeature	C40 H38 N5 O3	4
C40 H51 N3 O3	[ C40 H51 N3 O3, overall=34.81, db=0.00, mfg=69.61 ]			C40 H51 N3 O3	+	621.3926	4.4165	34.81		(622.3998, 2899.15)(623.4048, 1291.96)	FindByMolecularFeature	C40 H51 N3 O3	4
C41 H38 N5 S	[ C41 H38 N5 S, overall=47.43, db=0.00, mfg=94.86 ]			C41 H38 N5 S	+	632.2846	1.484	47.43		(633.2918, 5841.88)(634.2946, 2462.23)(635.2971, 896.41)	FindByMolecularFeature	C41 H38 N5 S	4
C41 H85 O22 S	[ C41 H85 O22 S, overall=45.37, db=0.00, mfg=90.74 ]			C41 H85 O22 S	+	961.525	1.08575	45.37		(962.5327, 9853.55)(963.5357, 4710.46)(964.5363, 2509.16)	FindByMolecularFeature	C41 H85 O22 S	4
C42 H54 N3	[ C42 H54 N3, overall=35.66, db=0.00, mfg=71.32 ]			C42 H54 N3	+	600.4323	4.59975	35.66		(601.4396, 2647.86)(602.4427, 1161.65)	FindByMolecularFeature	C42 H54 N3	4
C44 H32 Cl N19 O	[ C44 H32 Cl N19 O, overall=34.51, db=0.00, mfg=69.01 ]			C44 H32 Cl N19 O	+	877.2736	1.01425	34.51		(878.2809, 1974.23)(879.2802, 1476.91)(880.2792, 1326.47)	FindByMolecularFeature	C44 H32 Cl N19 O	4
C48 H76 O10	[ C48 H76 O10, overall=49.54, db=0.00, mfg=99.08 ]			C48 H76 O10	+	812.5436	1.48025	49.54		(835.5328, 4934.04)(836.5364, 2850.6)(813.5508, 39394.69)(814.5541, 20142.59)(815.5571, 5807.13)(816.5614, 1850.83)(830.5769, 34777.7)(831.5809, 19088.61)(832.583, 6137.1)(833.5871, 1042.76)	FindByMolecularFeature	C48 H76 O10	4
C48 H91 Cl2 N3	[ C48 H91 Cl2 N3, overall=38.15, db=0.00, mfg=76.29 ]			C48 H91 Cl2 N3	+	779.662	1.02275	38.15		(780.6693, 2338.38)(781.6751, 1394.53)(782.6602, 1621.86)(783.6639, 551.93)(784.6637, 401.69)	FindByMolecularFeature	C48 H91 Cl2 N3	4
C5 H8	[ C5 H8, overall=23.60, db=0.00, mfg=47.20 ]			C5 H8	+	68.0649	1.14775	23.6		(91.0545, 5616.5)(69.0701, 2174.62)	FindByMolecularFeature	C5 H8	4
C55 H57 N8 O2	[ C55 H57 N8 O2, overall=45.89, db=0.00, mfg=91.78 ]			C55 H57 N8 O2	+	861.4607	1.47925	45.89		(862.468, 4064.56)(863.4705, 2591.38)(864.472, 1085.69)	FindByMolecularFeature	C55 H57 N8 O2	4
C6 H3 N O3	[ C6 H3 N O3, overall=39.81, db=0.00, mfg=79.61 ]			C6 H3 N O3	+	137.0116	1.41275	39.81		(138.0185, 4989.27)(155.0455, 9262.39)(156.0479, 1133.88)	FindByMolecularFeature	C6 H3 N O3	4
C9 H15 N3 O3	[ C9 H15 N3 O3, overall=47.69, db=0.00, mfg=95.38 ]			C9 H15 N3 O3	+	213.1123	5.52725	47.69		(236.1014, 1970.97)(214.119, 26866.08)(215.1228, 2788.37)(216.1261, 748.17)	FindByMolecularFeature	C9 H15 N3 O3	4
Canthiumine	Canthiumine [ C33 H36 N4 O4, overall=85.32, db=85.32, CAS ID=26195-90-4, KEGG ID=C10000, METLIN ID=68079 ]	26195-90-4		Canthiumine	+	569.3024	1.4354999	85.32	C10000	(570.3089, 9216.76)(571.3116, 2996.88)(572.3134, 1239.37)	FindByMolecularFeature	C33 H36 N4 O4	4
Cavinine	Cavinine [ C18 H21 N O6, overall=74.82, db=74.82, CAS ID=58189-38-1, KEGG ID=C08524, METLIN ID=67044 ]	58189-38-1		Cavinine	+	347.1372	1.51975	74.82	C08524	(370.1242, 609.4)(348.1436, 6226.54)(349.1489, 1587.77)	FindByMolecularFeature	C18 H21 N O6	4
CAY10492 +6.5930004	CAY10492 [ C17 H22 N3 O2, overall=64.42, db=64.42, CAS ID=252978-89-5, METLIN ID=44967 ]	252978-89-5		CAY10492 +6.5930004	+	300.1687	6.5930004	64.42		(323.159, 1030.27)(301.1759, 4911.12)(302.1784, 1098.27)	FindByMolecularFeature	C17 H22 N3 O2	4
CCT018159	CCT018159 [ C20 H20 N2 O4, overall=81.97, db=81.97, CAS ID=171009-07-7, METLIN ID=45356 ]	171009-07-7		CCT018159	+	352.1426	2.0695	81.97		(375.1321, 1261.21)(353.1498, 12413.92)(354.1527, 3201.49)	FindByMolecularFeature	C20 H20 N2 O4	4
Cefoselis	Cefoselis [ C19 H22 N8 O6 S2, overall=74.37, db=74.37, CAS ID=122841-10-5, KEGG ID=C11210, METLIN ID=68916 ]	122841-10-5		Cefoselis	+	522.1128	1.0365	74.37	C11210	(523.1177, 5595.5)(524.1175, 2013.85)(525.1109, 943.69)(540.1473, 21754.78)(541.1448, 7635.4)(542.1426, 3156.02)(543.1436, 790.14)	FindByMolecularFeature	C19 H22 N8 O6 S2	4
Cer(d18:0/h17:0)	Cer(d18:0/h17:0) [ C35 H71 N O4, overall=66.64, db=66.64, Lipid ID=LMSP02020019, METLIN ID=83732 ]			Cer(d18:0/h17:0)	+	569.5375	1.19	66.64		(570.5447, 3749.89)(571.5474, 1749.54)	FindByMolecularFeature	C35 H71 N O4	4		LMSP02020019
Chivosazole A +1.8365	Chivosazole A [ C49 H71 N O12, overall=69.61, db=69.61, KEGG ID=C15728, METLIN ID=71059 ]			Chivosazole A +1.8365	+	865.492	1.8365	69.61	C15728	(866.4993, 3456.13)(867.5044, 2123.15)(868.5105, 872.97)	FindByMolecularFeature	C49 H71 N O12	4
Cimetidine	Cimetidine [ C10 H16 N6 S, overall=60.57, db=60.57, CAS ID=51481-61-9, KEGG ID=D00295, METLIN ID=1755 ]	51481-61-9		Cimetidine	+	269.1451	4.24275	60.57	D00295	(270.1524, 17743.39)(271.1562, 3294.55)(272.1507, 1740.41)	FindByMolecularFeature	C10 H16 N6 S	4
Cimetidine sulfoxide	Cimetidine sulfoxide [ C10 H16 N6 O2 S, overall=46.43, db=46.43, CAS ID=101218-10-4, METLIN ID=1757 ]	101218-10-4		Cimetidine sulfoxide	+	301.1351	4.4795	46.43		(302.1427, 5613.64)(303.1438, 1069.14)	FindByMolecularFeature	C10 H16 N6 O2 S	4
Delcorine	Delcorine [ C26 H41 N O7, overall=35.61, db=35.61, CAS ID=52358-55-1, KEGG ID=C08675, METLIN ID=67110 ]	52358-55-1		Delcorine	+	496.3172	1.68775	35.61	C08675	(497.3245, 1422.43)(498.3356, 730.61)(499.3088, 1026.94)	FindByMolecularFeature	C26 H41 N O7	4
Demethylcitalopram	Demethylcitalopram [ C19 H19 F N2 O, overall=98.46, db=98.46, CAS ID=62498-67-3, KEGG ID=C16608, METLIN ID=1782 ]	62498-67-3		Demethylcitalopram	+	310.1479	4.28225	98.46	C16608	(311.1551, 23145.85)(312.1592, 5076.79)(313.1614, 794.35)	FindByMolecularFeature	C19 H19 F N2 O	4
Deoxycholic acid 3-glucuronide	Deoxycholic acid 3-glucuronide [ C30 H48 O10, overall=50.95, db=50.95, Lipid ID=LMST05010046, METLIN ID=57964 ]			Deoxycholic acid 3-glucuronide	+	585.3556	8.01925	50.95		(586.3628, 7150.76)(587.3661, 1857.62)	FindByMolecularFeature	C30 H48 O10	4		LMST05010046
Desacetylvinblastine	Desacetylvinblastine [ C44 H56 N4 O8, overall=63.50, db=63.50, CAS ID=3352-69-0, METLIN ID=731 ]	3352-69-0		Desacetylvinblastine	+	790.3957	5.78325	63.5		(791.4029, 6621.42)(792.4065, 2271.69)(793.4048, 1252.46)	FindByMolecularFeature	C44 H56 N4 O8	4
desethyletomidate	desethyletomidate [ C12 H12 N2 O2, overall=68.11, db=68.11, CAS ID=7036-56-8, METLIN ID=2645 ]	7036-56-8		desethyletomidate	+	233.1174	3.5285	68.11		(234.1243, 8392.43)(235.1297, 1697.24)	FindByMolecularFeature	C12 H12 N2 O2	4
Desmethylnizatidine	Desmethylnizatidine [ C11 H19 N5 O2 S2, overall=84.05, db=84.05, CAS ID=82586-78-5, METLIN ID=1587 ]	82586-78-5		Desmethylnizatidine	+	334.1237	3.5852501	84.05		(335.1312, 7242.16)(336.1352, 1014.61)(337.1419, 731.37)	FindByMolecularFeature	C11 H19 N5 O2 S2	4
Desmethylpirenzepine	Desmethylpirenzepine [ C18 H19 N5 O2, overall=80.17, db=80.17, CAS ID=63257-31-8, METLIN ID=1975 ]	63257-31-8		Desmethylpirenzepine	+	337.1532	1.285	80.17		(360.1464, 726.77)(338.1604, 8086.64)(339.1651, 1934.73)	FindByMolecularFeature	C18 H19 N5 O2	4
Didesmethylpheniramine	Didesmethylpheniramine [ C14 H16 N2, overall=63.89, db=63.89, CAS ID=19428-45-6, METLIN ID=1816 ]	19428-45-6		Didesmethylpheniramine	+	234.1123	4.844	63.89		(235.1192, 4662.6)(236.124, 1184.79)	FindByMolecularFeature	C14 H16 N2	4
Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate	Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate [ C9 H16 O5, overall=68.21, db=68.21, KEGG ID=C04587, METLIN ID=66217 ]			Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate	+	221.1264	6.88425	68.21	C04587	(222.1337, 7647.28)(223.1366, 906.32)(224.1316, 924.55)	FindByMolecularFeature	C9 H16 O5	4
Dihydroxycarteolol M2 +6.5735	Dihydroxycarteolol M2 [ C16 H24 N2 O5, overall=67.41, db=67.41, CAS ID=, METLIN ID=1556 ]			Dihydroxycarteolol M2 +6.5735	+	324.168	6.5735	67.41		(325.1754, 4306.55)(326.179, 1303.52)	FindByMolecularFeature	C16 H24 N2 O5	4
Dimethachlor	Dimethachlor [ C13 H18 Cl N O2, overall=90.30, db=90.30, CAS ID=50563-36-5, KEGG ID=C18718, METLIN ID=72494 ]	50563-36-5		Dimethachlor	+	255.103	3.99825	90.3	C18718	(256.1103, 23001.06)(257.1142, 3213.5)(258.1081, 9459.58)(259.1125, 1890.06)	FindByMolecularFeature	C13 H18 Cl N O2	4
Dinoflagellate luciferin +2.2424998	Dinoflagellate luciferin [ C33 H40 N4 O6, overall=41.02, db=41.02, KEGG ID=C19704, METLIN ID=73308 ]			Dinoflagellate luciferin +2.2424998	+	588.2949	2.2424998	41.02	C19704	(589.3018, 4485.24)(590.3032, 697.99)(591.317, 3022.21)(592.3208, 1159.4)	FindByMolecularFeature	C33 H40 N4 O6	4
Dioscorine	Dioscorine [ C13 H19 N O2, overall=76.01, db=76.01, CAS ID=3329-91-7, KEGG ID=C10142, METLIN ID=68148 ]	3329-91-7		Dioscorine	+	221.1415	6.1672497	76.01	C10142	(222.1488, 8060.03)(223.1527, 1751.92)	FindByMolecularFeature	C13 H19 N O2	4
Docosahexaenoyl Serotonin +1.1835	Docosahexaenoyl Serotonin [ C32 H42 N2 O2, overall=86.72, db=86.72, CAS ID=283601-58-1, METLIN ID=62951 ]	283601-58-1		Docosahexaenoyl Serotonin +1.1835	+	508.3059	1.1835	86.72		(509.3132, 7736.34)(510.3197, 2686.83)(511.3222, 871.47)	FindByMolecularFeature	C32 H42 N2 O2	4
D-Ribose 1-diphosphate	D-Ribose 1-diphosphate [ C5 H12 O10 P2, overall=29.66, db=29.66, KEGG ID=C06248, METLIN ID=66359 ]			D-Ribose 1-diphosphate	+	293.9931	5.4125004	29.66	C06248	(316.9823, 6203.02)(610.9743, 2194.69)(294.9999, 4323.95)(588.9926, 1486.14)	FindByMolecularFeature	C5 H12 O10 P2	4
Echitovenine +1.4015001	Echitovenine [ C23 H28 N2 O4, overall=82.24, db=82.24, CAS ID=, KEGG ID=C11784, METLIN ID=64349 ]			Echitovenine +1.4015001	+	396.2047	1.4015001	82.24	C11784	(419.1945, 1072.27)(397.212, 13553.11)(398.2157, 3709.52)	FindByMolecularFeature	C23 H28 N2 O4	4
Eicosapentaenoic Acid ethyl ester	Eicosapentaenoic Acid ethyl ester [ C22 H34 O2, overall=47.61, db=47.61, KEGG ID=C16184, METLIN ID=45153 ]			Eicosapentaenoic Acid ethyl ester	+	352.2402	1.18475	47.61	C16184	(353.2451, 3637.63)(354.2519, 1579.15)(355.2562, 1537.9)	FindByMolecularFeature	C22 H34 O2	4
Elaeokanine C	Elaeokanine C [ C12 H21 N O2, overall=74.44, db=74.44, CAS ID=33023-03-9, KEGG ID=C10592, METLIN ID=68413 ]	33023-03-9		Elaeokanine C	+	228.1841	1.8605	74.44	C10592	(229.1914, 5578.86)(230.1912, 1012.11)	FindByMolecularFeature	C12 H21 N O2	4
Erythrohydrobupropion +4.105	Erythrohydrobupropion [ C13 H20 Cl N O, overall=98.21, db=98.21, METLIN ID=62874, HMP ID=HMDB12227 ]			Erythrohydrobupropion +4.105	+	241.1239	4.105	98.21		(242.1312, 133330.56)(243.1344, 17764.8)(244.1286, 42524.86)(245.1314, 5802.05)(246.137, 522.83)	FindByMolecularFeature	C13 H20 Cl N O	4	HMDB12227
Escitalopram	Escitalopram [ C20 H21 F N2 O, overall=84.53, db=84.53, CAS ID=128196-01-0, METLIN ID=58289, HMP ID=HMDB05028 ]	128196-01-0		Escitalopram	+	324.1636	4.2527504	84.53		(325.1709, 13306.38)(326.1747, 2662.84)	FindByMolecularFeature	C20 H21 F N2 O	4	HMDB05028
Ethyldimethylaminopropyl Carbodiimide	Ethyldimethylaminopropyl Carbodiimide [ C8 H17 N3, overall=74.44, db=74.44, CAS ID=25952-53-8, METLIN ID=24064 ]	25952-53-8		Ethyldimethylaminopropyl Carbodiimide	+	155.1421	8.903501	74.44		(156.1495, 7638.43)(157.1587, 897.46)(158.1533, 569.22)	FindByMolecularFeature	C8 H17 N3	4
Fampridine +7.45975	Fampridine [ C5 H6 N2, overall=98.51, db=98.51, CAS ID=504-24-5, KEGG ID=C13728, METLIN ID=43478 ]	504-24-5		Fampridine +7.45975	+	94.0532	7.45975	98.51	C13728	(95.0604, 44132.55)(96.0636, 3083.66)(112.0871, 374937.06)(113.0904, 23682.93)(114.0914, 2579.19)	FindByMolecularFeature	C5 H6 N2	4
Fenhexamid	Fenhexamid [ C14 H17 Cl2 N O2, overall=56.30, db=56.30, CAS ID=126833-17-8, KEGG ID=C18593, METLIN ID=72394 ]	126833-17-8		Fenhexamid	+	301.0645	2.91675	56.3	C18593	(302.0718, 5870.78)(303.0754, 1185.09)	FindByMolecularFeature	C14 H17 Cl2 N O2	4
Flutolanil	Flutolanil [ C17 H16 F3 N O2, overall=76.01, db=76.01, CAS ID=66332-96-5, KEGG ID=C18502, METLIN ID=72308 ]	66332-96-5		Flutolanil	+	340.14	2.0387502	76.01	C18502	(341.1473, 7845.68)(342.1511, 1808.18)(343.153, 1255.23)	FindByMolecularFeature	C17 H16 F3 N O2	4
Furfural	Furfural [ C5 H4 O2, overall=82.07, db=82.07, CAS ID=98-01-1, KEGG ID=C14279, METLIN ID=69936 ]	98-01-1		Furfural	+	96.0217	2.38475	82.07	C14279	(97.029, 14323.64)(98.0316, 1171.8)	FindByMolecularFeature	C5 H4 O2	4
Gliquidone	Gliquidone [ C27 H33 N3 O6 S, overall=72.73, db=72.73, CAS ID=33342-05-1, METLIN ID=3123 ]	33342-05-1		Gliquidone	+	544.2373	1.52825	72.73		(545.2438, 5456.74)(546.2454, 3096.93)(547.2456, 895.91)	FindByMolecularFeature	C27 H33 N3 O6 S	4
Glu Gln +7.7097497	Glu Gln [ C10 H17 N3 O6, overall=84.15, db=84.15, METLIN ID=23922 ]			Glu Gln +7.7097497	+	275.1119	7.7097497	84.15		(276.1192, 15652.74)(277.1219, 2350.05)	FindByMolecularFeature	C10 H17 N3 O6	4
Glu Gln +7.8304996	Glu Gln [ C10 H17 N3 O6, overall=86.46, db=86.46, METLIN ID=23922 ]			Glu Gln +7.8304996	+	275.1117	7.8304996	86.46		(276.1192, 16224.61)(277.1222, 2007.45)	FindByMolecularFeature	C10 H17 N3 O6	4
Gly Thr Lys	Gly Thr Lys [ C12 H24 N4 O5, overall=46.27, db=46.27, METLIN ID=18490 ]			Gly Thr Lys	+	304.178	6.168	46.27		(327.1685, 709.8)(305.1853, 4284.59)(306.1874, 1021.89)	FindByMolecularFeature	C12 H24 N4 O5	4
Glycyl-L-leucine +6.57725	Glycyl-L-leucine [ C8 H16 N2 O3, overall=72.89, db=72.89, CAS ID=869-19-2, KEGG ID=C02155, METLIN ID=5727, HMP ID=HMDB00759 ]	869-19-2		Glycyl-L-leucine +6.57725	+	205.1428	6.57725	72.89	C02155	(206.15, 6808.33)(207.1544, 1116.35)	FindByMolecularFeature	C8 H16 N2 O3	4	HMDB00759
Glycyl-L-leucine +6.7	Glycyl-L-leucine [ C8 H16 N2 O3, overall=84.23, db=84.23, CAS ID=869-19-2, KEGG ID=C02155, METLIN ID=5727, HMP ID=HMDB00759 ]	869-19-2		Glycyl-L-leucine +6.7	+	188.1166	6.7	84.23	C02155	(211.1072, 1948.84)(189.1236, 15830.03)(190.1261, 1995.76)	FindByMolecularFeature	C8 H16 N2 O3	4	HMDB00759
Gramine +5.8650002	Gramine [ C11 H14 N2, overall=64.42, db=64.42, CAS ID=87-52-5, KEGG ID=C08304, METLIN ID=66897 ]	87-52-5		Gramine +5.8650002	+	196.0982	5.8650002	64.42	C08304	(197.1055, 15338.84)(198.111, 1557.53)(199.1066, 1500.92)	FindByMolecularFeature	C11 H14 N2	4
Graphinone +5.40575	Graphinone [ C16 H24 O5, overall=84.11, db=84.11, CAS ID=19683-98-8, KEGG ID=C09674, METLIN ID=67878 ]	19683-98-8		Graphinone +5.40575	+	318.144	5.40575	84.11	C09674	(319.1514, 7709.49)(320.156, 1285.01)	FindByMolecularFeature	C16 H24 O5	4
Hematoporphyrin	Hematoporphyrin [ C34 H38 N4 O6, overall=70.25, db=70.25, CAS ID=14459-29-1, METLIN ID=5638, HMP ID=HMDB00668 ]	14459-29-1		Hematoporphyrin	+	598.2791	1.161	70.25		(599.2864, 2332.16)(600.2921, 1429.41)(601.293, 620.92)	FindByMolecularFeature	C34 H38 N4 O6	4	HMDB00668
Histamine	Histamine [ C5 H9 N3, overall=78.17, db=78.17, CAS ID=51-45-6, KEGG ID=C00388, METLIN ID=68, HMP ID=HMDB00870 ]	51-45-6		Histamine	+	111.0796	7.4639997	78.17	C00388	(112.0869, 65268.66)(113.0943, 4498.12)	FindByMolecularFeature	C5 H9 N3	4	HMDB00870
Homatropine +1.3785001	Homatropine [ C16 H21 N O3, overall=81.02, db=81.02, CAS ID=87-00-3, KEGG ID=C07814, METLIN ID=3162 ]	87-00-3		Homatropine +1.3785001	+	275.1526	1.3785001	81.02	C07814	(276.1599, 10233.29)(277.1622, 2230.43)(293.1887, 1588.99)	FindByMolecularFeature	C16 H21 N O3	4
Hydroxyphenoxyethylaminohydroxypropanol +7.7405	Hydroxyphenoxyethylaminohydroxypropanol [ C11 H17 N O4, overall=86.59, db=86.59, CAS ID=114849-42-2, METLIN ID=1575 ]	114849-42-2		Hydroxyphenoxyethylaminohydroxypropanol +7.7405	+	244.1427	7.7405	86.59		(245.1499, 57010.83)(246.1531, 7204.0)	FindByMolecularFeature	C11 H17 N O4	4
Hydroxythiopental	Hydroxythiopental [ C11 H18 N2 O3 S, overall=64.21, db=64.21, CAS ID=104328-21-4, METLIN ID=2834 ]	104328-21-4		Hydroxythiopental	+	275.1289	4.66125	64.21		(276.1361, 12352.77)(277.1397, 2183.9)(278.134, 3526.58)(279.1391, 850.39)	FindByMolecularFeature	C11 H18 N2 O3 S	4
Hydroxythiopental +4.89075	Hydroxythiopental [ C11 H18 N2 O3 S, overall=62.07, db=62.07, CAS ID=104328-21-4, METLIN ID=2834 ]	104328-21-4		Hydroxythiopental +4.89075	+	275.129	4.89075	62.07		(276.1362, 185447.81)(277.1397, 26619.16)(278.1335, 55766.1)(279.1367, 8498.98)(280.1396, 870.51)	FindByMolecularFeature	C11 H18 N2 O3 S	4
Indicumenone +1.57525	Indicumenone [ C15 H24 O3, overall=85.85, db=85.85, KEGG ID=C17612, METLIN ID=71816 ]			Indicumenone +1.57525	+	252.1728	1.57525	85.85	C17612	(253.18, 13322.76)(254.1837, 2375.01)	FindByMolecularFeature	C15 H24 O3	4
Isobutylmethylxanthine +1.3425	Isobutylmethylxanthine [ C10 H14 N4 O2, overall=48.74, db=48.74, CAS ID=28822-58-4, METLIN ID=44462 ]	28822-58-4		Isobutylmethylxanthine +1.3425	+	222.1115	1.3425	48.74		(223.1206, 2937.58)(224.1266, 1068.51)(240.1457, 5677.95)(241.1469, 2360.47)(242.1434, 2265.58)	FindByMolecularFeature	C10 H14 N4 O2	4
Isobutyrylglycine +6.278	Isobutyrylglycine [ C6 H11 N O3, overall=85.48, db=85.48, CAS ID=15926-18-8, METLIN ID=5698, HMP ID=HMDB00730 ]	15926-18-8		Isobutyrylglycine +6.278	+	145.0745	6.278	85.48		(146.0815, 92992.66)(147.0857, 6527.51)	FindByMolecularFeature	C6 H11 N O3	4	HMDB00730
Isradipine Metabolite (2,1,3-Benzoxadiazole, 3,5-pyridinedicarboxylic acid deriv.)	Isradipine Metabolite (2,1,3-Benzoxadiazole, 3,5-pyridinedicarboxylic acid deriv.) [ C18 H19 N3 O5, overall=67.05, db=67.05, CAS ID=88977-30-4, METLIN ID=875 ]	88977-30-4		Isradipine Metabolite (2,1,3-Benzoxadiazole, 3,5-pyridinedicarboxylic acid deriv.)	+	357.1327	1.17325	67.05		(358.1397, 3688.28)(359.1451, 1102.73)	FindByMolecularFeature	C18 H19 N3 O5	4
I-Urobilin +2.145	I-Urobilin [ C33 H42 N4 O6, overall=68.85, db=68.85, CAS ID=1856-98-0, KEGG ID=C05794, METLIN ID=58222, HMP ID=HMDB04160 ]	1856-98-0		I-Urobilin +2.145	+	590.3109	2.145	68.85	C05794	(591.3182, 2801.23)(592.3214, 1259.96)	FindByMolecularFeature	C33 H42 N4 O6	4	HMDB04160
JWH 018 N-(5-hydroxypentyl) metabolite	JWH 018 N-(5-hydroxypentyl) metabolite [ C24 H23 N O2, overall=72.52, db=72.52, METLIN ID=64910 ]			JWH 018 N-(5-hydroxypentyl) metabolite	+	379.1564	6.76925	72.52		(380.1637, 4391.92)(381.1683, 1187.17)	FindByMolecularFeature	C24 H23 N O2	4
KDNalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)	KDNalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) [ C59 H109 N O21, overall=55.49, db=55.49, Lipid ID=LMSP0601DH03, METLIN ID=56788 ]			KDNalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)	+	1184.7765	5.69425	55.49		(1185.7805, 1931.0)(1186.783, 829.2)	FindByMolecularFeature	C59 H109 N O21	4		LMSP0601DH03
L-Adrenaline +6.1095	L-Adrenaline [ C9 H13 N O3, overall=29.11, db=29.11, CAS ID=51-43-4, KEGG ID=C00788, METLIN ID=63502 ]	51-43-4		L-Adrenaline +6.1095	+	183.0903	6.1095	29.11	C00788	(184.098, 3362.83)(185.0954, 895.65)(186.0878, 890.03)(201.1234, 1365.25)	FindByMolecularFeature	C9 H13 N O3	4
L-beta-aspartyl-L-alanine	L-beta-aspartyl-L-alanine [ C7 H12 N2 O5, overall=76.80, db=76.80, METLIN ID=62011, HMP ID=HMDB11162 ]			L-beta-aspartyl-L-alanine	+	204.0751	2.266	76.8		(205.0822, 8928.34)(206.0872, 1058.47)(222.11, 1323.94)	FindByMolecularFeature	C7 H12 N2 O5	4	HMDB11162
Lentiginosine +6.9515	Lentiginosine [ C8 H15 N O2, overall=87.74, db=87.74, CAS ID=125279-72-3, KEGG ID=C10155, METLIN ID=68160 ]	125279-72-3		Lentiginosine +6.9515	+	157.1102	6.9515	87.74	C10155	(158.1175, 19924.61)(159.1205, 1861.36)	FindByMolecularFeature	C8 H15 N O2	4
Letrozole	Letrozole [ C17 H11 N5, overall=70.19, db=70.19, KEGG ID=C08163, METLIN ID=43225 ]			Letrozole	+	302.1273	1.33575	70.19	C08163	(303.1344, 4579.79)(304.1374, 1390.24)	FindByMolecularFeature	C17 H11 N5	4
Leu Ala +3.6157498	Leu Ala [ C9 H18 N2 O3, overall=85.15, db=85.15, CAS ID=, METLIN ID=44685 ]			Leu Ala +3.6157498	+	202.1321	3.6157498	85.15		(225.121, 1417.03)(203.1394, 17210.0)(204.1424, 2241.54)	FindByMolecularFeature	C9 H18 N2 O3	4
Leukotriene F4	Leukotriene F4 [ C28 H44 N2 O8 S, overall=83.98, db=83.98, Lipid ID=LMFA03020009, CAS ID=83851-42-7, KEGG ID=C06462, METLIN ID=3600, HMP ID=HMDB06465 ]	83851-42-7		Leukotriene F4	+	585.3085	1.0627501	83.98	C06462	(586.3158, 16733.09)(587.3193, 6630.32)(588.324, 1825.26)	FindByMolecularFeature	C28 H44 N2 O8 S	4	HMDB06465	LMFA03020009
L-Histidinal	L-Histidinal [ C6 H9 N3 O, overall=82.38, db=82.38, CAS ID=, KEGG ID=C01929, METLIN ID=63490 ]			L-Histidinal	+	139.0746	3.211	82.38	C01929	(140.082, 13718.05)(141.0845, 2082.56)(142.086, 894.11)	FindByMolecularFeature	C6 H9 N3 O	4
Lucanthone	Lucanthone [ C20 H24 N2 O S, overall=67.86, db=67.86, CAS ID=479-50-5, KEGG ID=C11715, METLIN ID=69172 ]	479-50-5		Lucanthone	+	340.1646	1.77625	67.86	C11715	(363.1573, 943.89)(341.1715, 4799.76)(342.1757, 1303.86)(343.1721, 433.5)	FindByMolecularFeature	C20 H24 N2 O S	4
Lys Met Lys	Lys Met Lys [ C17 H35 N5 O4 S, overall=60.57, db=60.57, METLIN ID=23354 ]			Lys Met Lys	+	413.7543	5.8015	60.57		(414.7605, 1562.81)(828.5163, 3604.24)(829.5184, 1523.29)	FindByMolecularFeature	C17 H35 N5 O4 S	4
Lys Trp Ile	Lys Trp Ile [ C23 H35 N5 O4, overall=72.47, db=72.47, METLIN ID=17004 ]			Lys Trp Ile	+	445.2687	1.0985	72.47		(446.276, 3241.61)(447.2774, 1097.77)	FindByMolecularFeature	C23 H35 N5 O4	4
Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside	Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside [ C13 H24 O10, overall=74.27, db=74.27, KEGG ID=C04698, METLIN ID=66242 ]			Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside	+	362.1186	5.684	74.27	C04698	(363.1258, 10358.62)(364.1297, 1137.9)(365.1356, 1204.29)	FindByMolecularFeature	C13 H24 O10	4
Methyldopate	Methyldopate [ C12 H17 N O4, overall=47.62, db=47.62, CAS ID=, METLIN ID=43257 ]			Methyldopate	+	239.1183	6.5857496	47.62		(240.1258, 1879.18)(257.1496, 1891.61)	FindByMolecularFeature	C12 H17 N O4	4
MID42471:1?,25-dihydroxy-25,25-diphenyl-26,27-dinorvitamin D3 / 1?,25-dihydroxy-25,25-diphenyl-26,27	MID42471:1?,25-dihydroxy-25,25-diphenyl-26,27-dinorvitamin D3 / 1?,25-dihydroxy-25,25-diphenyl-26,27 [ C37 H48 O3, overall=74.56, db=74.56, Lipid ID=LMST03020543, METLIN ID=42471 ]			MID42471:1?,25-dihydroxy-25,25-diphenyl-26,27-dinorvitamin D3 / 1?,25-dihydroxy-25,25-diphenyl-26,27	+	562.3437	6.84225	74.56		(563.3508, 18008.95)(564.3546, 4239.7)(565.3594, 800.68)	FindByMolecularFeature	C37 H48 O3	4		LMST03020543
Monalide	Monalide [ C13 H18 Cl N O, overall=97.30, db=97.30, CAS ID=7287-36-7, KEGG ID=C19053, METLIN ID=72802 ]	7287-36-7		Monalide	+	239.1082	3.84925	97.3	C19053	(240.1152, 15251.36)(241.1194, 2363.41)(242.1127, 5317.76)(243.1174, 886.18)	FindByMolecularFeature	C13 H18 Cl N O	4
N(alpha)-gamma-L-Glutamylhistamine +3.4955	N(alpha)-gamma-L-Glutamylhistamine [ C10 H16 N4 O3, overall=80.99, db=80.99, KEGG ID=C04138, METLIN ID=66121 ]			N(alpha)-gamma-L-Glutamylhistamine +3.4955	+	240.1212	3.4955	80.99	C04138	(263.1103, 15793.8)(264.114, 2156.36)(241.1287, 11525.71)(242.1335, 1083.34)(243.1347, 999.17)(258.1571, 1438.86)	FindByMolecularFeature	C10 H16 N4 O3	4
N,N-Diethylphenylacetamide	N,N-Diethylphenylacetamide [ C12 H17 N O, overall=72.67, db=72.67, CAS ID=2431-96-1, KEGG ID=C10938, METLIN ID=68704 ]	2431-96-1		N,N-Diethylphenylacetamide	+	213.1124	6.128	72.67	C10938	(214.1196, 10737.32)(215.1267, 1968.39)	FindByMolecularFeature	C12 H17 N O	4
N2-Acetyl-L-ornithine	N2-Acetyl-L-ornithine [ C7 H14 N2 O3, overall=50.03, db=50.03, CAS ID=2185-16-2, KEGG ID=C00437, METLIN ID=3303 ]	2185-16-2		N2-Acetyl-L-ornithine	+	174.1004	7.7465	50.03	C00437	(175.1077, 12484.59)(176.1043, 2581.1)	FindByMolecularFeature	C7 H14 N2 O3	4
Neurodazine	Neurodazine [ C27 H21 Cl N2 O3, overall=54.19, db=54.19, CAS ID=937807-66-4, METLIN ID=64807 ]	937807-66-4		Neurodazine	+	456.1227	1.95425	54.19		(457.1296, 2725.93)(458.1334, 1762.23)	FindByMolecularFeature	C27 H21 Cl N2 O3	4
N-Hydroxy-L-phenylalanine +3.36275	N-Hydroxy-L-phenylalanine [ C9 H11 N O3, overall=68.94, db=68.94, KEGG ID=C19712, METLIN ID=73312 ]			N-Hydroxy-L-phenylalanine +3.36275	+	181.0742	3.36275	68.94	C19712	(182.0815, 7583.99)(183.0855, 1470.95)	FindByMolecularFeature	C9 H11 N O3	4
N-Hydroxy-L-phenylalanine +7.05725	N-Hydroxy-L-phenylalanine [ C9 H11 N O3, overall=91.51, db=91.51, KEGG ID=C19712, METLIN ID=73312 ]			N-Hydroxy-L-phenylalanine +7.05725	+	198.1009	7.05725	91.51	C19712	(199.1081, 18792.35)(200.1122, 2452.24)(201.1077, 645.9)	FindByMolecularFeature	C9 H11 N O3	4
N-Hydroxypentobarbital +6.8005	N-Hydroxypentobarbital [ C11 H18 N2 O4, overall=52.29, db=52.29, CAS ID=62298-51-5, METLIN ID=1765 ]	62298-51-5		N-Hydroxypentobarbital +6.8005	+	242.1265	6.8005	52.29		(243.1338, 2630.27)(244.1392, 1110.32)(260.1612, 2294.27)	FindByMolecularFeature	C11 H18 N2 O4	4
Nicotinamide riboside +1.7692499	Nicotinamide riboside [ C11 H15 N2 O5, overall=97.88, db=97.88, CAS ID=1341-23-7, KEGG ID=C03150, METLIN ID=5818, HMP ID=HMDB00855 ]	1341-23-7		Nicotinamide riboside +1.7692499	+	237.0641	1.7692499	97.88	C03150	(238.0717, 5088.88)(239.0759, 844.0)(255.0979, 41405.79)(256.1015, 5592.77)(257.1061, 1038.22)	FindByMolecularFeature	C11 H15 N2 O5	4	HMDB00855
N-Nitroso-N-methylurethane	N-Nitroso-N-methylurethane [ C4 H8 N2 O3, overall=72.67, db=72.67, CAS ID=615-53-2, KEGG ID=C19301, METLIN ID=73013 ]	615-53-2		N-Nitroso-N-methylurethane	+	132.0536	3.4229999	72.67	C19301	(155.0443, 1652.57)(133.0611, 9800.02)(134.065, 1065.23)(135.0664, 982.72)	FindByMolecularFeature	C4 H8 N2 O3	4
Nonoxynol-9	Nonoxynol-9 [ C33 H60 O10, overall=67.24, db=67.24, CAS ID=, METLIN ID=43278 ]			Nonoxynol-9	+	633.4451	1.70675	67.24		(634.4524, 4164.74)(635.4555, 1890.1)	FindByMolecularFeature	C33 H60 O10	4
Octylamine +4.388	Octylamine [ C8 H19 N, overall=97.80, db=97.80, CAS ID=111-86-4, KEGG ID=C01740, METLIN ID=65641 ]	111-86-4		Octylamine +4.388	+	129.1517	4.388	97.8	C01740	(130.159, 43037.74)(131.1624, 4822.0)(132.1649, 871.16)	FindByMolecularFeature	C8 H19 N	4
Orthoform +6.8174996	Orthoform [ C8 H9 N O3, overall=72.00, db=72.00, CAS ID=536-25-4, KEGG ID=C14171, METLIN ID=69850 ]	536-25-4		Orthoform +6.8174996	+	167.0583	6.8174996	72	C14171	(168.0655, 6361.13)(169.0695, 1091.52)(185.0942, 739.34)	FindByMolecularFeature	C8 H9 N O3	4
PE(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	PE(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) [ C43 H70 N O8 P, overall=66.93, db=66.93, Lipid ID=LMGP02010731, METLIN ID=76966 ]			PE(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	+	781.467	7.6584997	66.93		(782.4743, 4539.87)(783.4777, 1877.33)	FindByMolecularFeature	C43 H70 N O8 P	4		LMGP02010731
PE(O-18:0/0:0)	PE(O-18:0/0:0) [ C23 H50 N O6 P, overall=47.46, db=47.46, Lipid ID=LMGP02060003, METLIN ID=46717 ]			PE(O-18:0/0:0)	+	489.3153	3.88975	47.46		(490.3225, 3329.09)(491.326, 1092.16)	FindByMolecularFeature	C23 H50 N O6 P	4		LMGP02060003
Penicilloate	Penicilloate [ C20 H25 N5 O7 S, overall=76.27, db=76.27, CAS ID=, METLIN ID=1225 ]			Penicilloate	+	496.1763	6.0567503	76.27		(497.184, 31121.73)(498.1872, 6825.34)(499.19, 2144.9)	FindByMolecularFeature	C20 H25 N5 O7 S	4
PE-NMe(O-14:0/O-14:0)	PE-NMe(O-14:0/O-14:0) [ C34 H72 N O6 P, overall=51.87, db=51.87, Lipid ID=LMGP02040010, METLIN ID=40770 ]			PE-NMe(O-14:0/O-14:0)	+	643.4873	2.03825	51.87		(644.4944, 3150.88)(645.4978, 1068.4)	FindByMolecularFeature	C34 H72 N O6 P	4		LMGP02040010
Phenylephrine 3-O-sulfate	Phenylephrine 3-O-sulfate [ C9 H13 N O5 S, overall=73.44, db=73.44, CAS ID=, METLIN ID=711 ]			Phenylephrine 3-O-sulfate	+	247.0521	1.04125	73.44		(248.0597, 5227.69)(249.0613, 1228.94)(250.0578, 703.56)	FindByMolecularFeature	C9 H13 N O5 S	4
Phosphoenol-4-deoxy-3-tetrulosonate	Phosphoenol-4-deoxy-3-tetrulosonate [ C4 H7 O7 P, overall=59.88, db=59.88, KEGG ID=C04309, METLIN ID=66160 ]			Phosphoenol-4-deoxy-3-tetrulosonate	+	197.994	6.8375	59.88	C04309	(199.0013, 6908.22)(200.0045, 811.67)(200.9969, 1849.65)	FindByMolecularFeature	C4 H7 O7 P	4
P-Hydroxydesmethylgliquidone	P-Hydroxydesmethylgliquidone [ C26 H31 N3 O7 S, overall=73.84, db=73.84, CAS ID=57081-87-5, METLIN ID=3127 ]	57081-87-5		P-Hydroxydesmethylgliquidone	+	529.1894	1.1825001	73.84		(530.1962, 6841.4)(531.199, 3074.42)(532.202, 1377.27)	FindByMolecularFeature	C26 H31 N3 O7 S	4
p-Hydroxynorpseudoephedrine	p-Hydroxynorpseudoephedrine [ C9 H13 N O2, overall=64.05, db=64.05, CAS ID=552-85-2, METLIN ID=2017 ]	552-85-2		p-Hydroxynorpseudoephedrine	+	167.0952	4.853	64.05		(168.1025, 8227.33)(169.1043, 1737.87)(185.1302, 1281.77)	FindByMolecularFeature	C9 H13 N O2	4
p-Hydroxynorpseudoephedrine +1.95375	p-Hydroxynorpseudoephedrine [ C9 H13 N O2, overall=77.93, db=77.93, CAS ID=552-85-2, METLIN ID=2017 ]	552-85-2		p-Hydroxynorpseudoephedrine +1.95375	+	184.1214	1.95375	77.93		(185.1286, 10540.85)(186.1298, 1562.12)	FindByMolecularFeature	C9 H13 N O2	4
PI(O-16:0/16:0)	PI(O-16:0/16:0) [ C41 H81 O12 P, overall=87.68, db=87.68, Lipid ID=LMGP06020083, METLIN ID=81067 ]			PI(O-16:0/16:0)	+	796.5489	1.33225	87.68		(819.5363, 1435.82)(797.5564, 4909.15)(798.5591, 2200.31)(799.561, 893.17)	FindByMolecularFeature	C41 H81 O12 P	4		LMGP06020083
Pinacidil-N-Oxide	Pinacidil-N-Oxide [ C13 H19 N5 O, overall=69.82, db=69.82, CAS ID=83285-82-9, METLIN ID=1942 ]	83285-82-9		Pinacidil-N-Oxide	+	261.158	1.3457501	69.82		(262.1651, 5163.36)(263.1649, 940.67)	FindByMolecularFeature	C13 H19 N5 O	4
Piperidine +6.3184996	Piperidine [ C5 H11 N, overall=87.43, db=87.43, CAS ID=110-89-4, KEGG ID=C01746, METLIN ID=64457 ]	110-89-4		Piperidine +6.3184996	+	85.0891	6.3184996	87.43	C01746	(86.0964, 40846.16)(87.0995, 2938.51)(103.1233, 2858.02)	FindByMolecularFeature	C5 H11 N	4
Piperyline	Piperyline [ C16 H17 N O3, overall=81.67, db=81.67, CAS ID=25924-78-1, KEGG ID=C10174, METLIN ID=68174 ]	25924-78-1		Piperyline	+	271.1214	1.3824999	81.67	C10174	(272.1287, 4298.67)(273.1319, 930.53)	FindByMolecularFeature	C16 H17 N O3	4
Pro Lys Gln	Pro Lys Gln [ C16 H29 N5 O5, overall=78.29, db=78.29, METLIN ID=22577 ]			Pro Lys Gln	+	371.2157	1.758	78.29		(372.2226, 6616.43)(373.2265, 1394.68)	FindByMolecularFeature	C16 H29 N5 O5	4
Pro Pro Lys	Pro Pro Lys [ C16 H28 N4 O4, overall=69.00, db=69.00, METLIN ID=22430 ]			Pro Pro Lys	+	357.2353	2.3925	69		(358.2426, 2986.58)(359.2462, 700.22)	FindByMolecularFeature	C16 H28 N4 O4	4
PS(19:0/0:0) +6.55025	PS(19:0/0:0) [ C25 H50 N O9 P, overall=63.55, db=63.55, Lipid ID=LMGP03050028, METLIN ID=78855 ]			PS(19:0/0:0) +6.55025	+	539.323	6.55025	63.55		(540.3304, 29352.52)(541.3333, 4078.14)	FindByMolecularFeature	C25 H50 N O9 P	4		LMGP03050028
PS(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	PS(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C47 H80 N O10 P, overall=62.78, db=62.78, Lipid ID=LMGP03010479, METLIN ID=78143 ]			PS(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	+	871.5349	5.963	62.78		(872.5422, 2274.72)(873.5447, 1248.33)	FindByMolecularFeature	C47 H80 N O10 P	4		LMGP03010479
Riboflavin (Vitamin B2)	Riboflavin (Vitamin B2) [ C17 H20 N4 O6, overall=81.50, db=81.50, CAS ID=83-88-5, KEGG ID=C00255, METLIN ID=233 ]	83-88-5		Riboflavin (Vitamin B2)	+	376.1389	2.969	81.5	C00255	(399.1311, 821.78)(377.1455, 6317.47)(378.1499, 1384.88)	FindByMolecularFeature	C17 H20 N4 O6	4
Rishitin +1.6135	Rishitin [ C14 H22 O2, overall=83.56, db=83.56, CAS ID=18178-54-6, KEGG ID=C09715, METLIN ID=67903 ]	18178-54-6		Rishitin +1.6135	+	222.1622	1.6135	83.56	C09715	(223.1695, 8250.19)(224.1715, 1383.85)	FindByMolecularFeature	C14 H22 O2	4
Ser Asp Met	Ser Asp Met [ C12 H21 N3 O7 S, overall=64.33, db=64.33, METLIN ID=18455 ]			Ser Asp Met	+	373.093	1.039	64.33		(374.1003, 10680.95)(375.0983, 3489.35)(376.097, 855.88)	FindByMolecularFeature	C12 H21 N3 O7 S	4
Sericetin Diacetate	Sericetin Diacetate [ C29 H28 O7, overall=65.20, db=65.20, CAS ID=, METLIN ID=43609 ]			Sericetin Diacetate	+	505.2126	1.18175	65.2		(506.2199, 6208.87)(507.2249, 2713.36)(508.228, 825.83)	FindByMolecularFeature	C29 H28 O7	4
Sobetirome	Sobetirome [ C20 H24 O4, overall=80.53, db=80.53, CAS ID=211110-63-3, KEGG ID=C15618, METLIN ID=70980 ]	211110-63-3		Sobetirome	+	350.1483	1.347	80.53	C15618	(351.1555, 5791.82)(352.1592, 1325.94)	FindByMolecularFeature	C20 H24 O4	4
Stovaine	Stovaine [ C14 H21 N O2, overall=28.30, db=28.30, CAS ID=644-26-8, KEGG ID=C14169, METLIN ID=69848 ]	644-26-8		Stovaine	+	235.1586	1.277	28.3	C14169	(236.1653, 4397.1)(237.1764, 1488.85)(488.3555, 1109.76)(471.3232, 907.96)	FindByMolecularFeature	C14 H21 N O2	4
Stovaine +4.0792503	Stovaine [ C14 H21 N O2, overall=76.93, db=76.93, CAS ID=644-26-8, KEGG ID=C14169, METLIN ID=69848 ]	644-26-8		Stovaine +4.0792503	+	257.1379	4.0792503	76.93	C14169	(258.1452, 6952.21)(259.1488, 1377.89)	FindByMolecularFeature	C14 H21 N O2	4
Tenovin-6 +3.4905	Tenovin-6 [ C25 H34 N4 O2 S, overall=83.27, db=83.27, CAS ID=1011557-82-6, METLIN ID=45456 ]	1011557-82-6		Tenovin-6 +3.4905	+	454.2411	3.4905	83.27		(455.2482, 1878.57)(472.2749, 27478.66)(473.2784, 6009.68)(474.2818, 1462.52)	FindByMolecularFeature	C25 H34 N4 O2 S	4
Teprenone	Teprenone [ C23 H38 O, overall=78.85, db=78.85, CAS ID=6809-52-5, KEGG ID=C13297, METLIN ID=2719 ]	6809-52-5		Teprenone	+	352.2724	1.5799999	78.85	C13297	(353.2803, 4602.21)(354.283, 1168.54)	FindByMolecularFeature	C23 H38 O	4
tetradeca-13-en-2,4-diyn-1-ol	tetradeca-13-en-2,4-diyn-1-ol [ C14 H20 O, overall=47.21, db=47.21, Lipid ID=LMFA05000016, METLIN ID=75243 ]			tetradeca-13-en-2,4-diyn-1-ol	+	182.1671	1.1235	47.21		(205.1584, 2209.22)(183.1743, 1293.79)(382.3683, 985.89)(365.3435, 896.79)	FindByMolecularFeature	C14 H20 O	4		LMFA05000016
Tetranor-PGF1alpha +1.21375	Tetranor-PGF1alpha [ C16 H28 O5, overall=68.17, db=68.17, Lipid ID=LMFA03010213, METLIN ID=74978 ]			Tetranor-PGF1alpha +1.21375	+	317.2215	1.21375	68.17		(318.2287, 10109.44)(319.2312, 2740.22)	FindByMolecularFeature	C16 H28 O5	4		LMFA03010213
TG(16:1(9Z)/17:0/17:1(9Z))[iso6]	TG(16:1(9Z)/17:0/17:1(9Z))[iso6] [ C53 H98 O6, overall=66.44, db=66.44, Lipid ID=LMGL03010033, CAS ID=, METLIN ID=4732 ]			TG(16:1(9Z)/17:0/17:1(9Z))[iso6]	+	847.7623	1.11625	66.44		(848.7695, 2156.99)(849.7738, 1305.3)(850.7821, 1018.97)	FindByMolecularFeature	C53 H98 O6	4		LMGL03010033
THA +1.05075	THA [ C24 H36 O2, overall=99.20, db=99.20, Lipid ID=LMFA01030822, METLIN ID=74358 ]			THA +1.05075	+	356.2716	1.05075	99.2		(357.2789, 74934.73)(358.2828, 20178.54)(359.2865, 3385.32)	FindByMolecularFeature	C24 H36 O2	4		LMFA01030822
Thr Ala Thr +6.4452496	Thr Ala Thr [ C11 H21 N3 O6, overall=70.61, db=70.61, METLIN ID=23238 ]			Thr Ala Thr +6.4452496	+	291.1433	6.4452496	70.61		(292.1506, 7142.19)(293.1548, 1530.46)	FindByMolecularFeature	C11 H21 N3 O6	4
Thymine	Thymine [ C5 H6 N2 O2, overall=55.77, db=55.77, CAS ID=65-71-4, KEGG ID=C00178, METLIN ID=290, HMP ID=HMDB00262 ]	65-71-4		Thymine	+	126.043	1.5730001	55.77	C00178	(127.0509, 3056.28)(128.0609, 718.97)(129.0529, 2915.1)	FindByMolecularFeature	C5 H6 N2 O2	4	HMDB00262
Totarol-19-Carboxylic Acid	Totarol-19-Carboxylic Acid [ C20 H28 O3, overall=62.03, db=62.03, CAS ID=, METLIN ID=44467 ]			Totarol-19-Carboxylic Acid	+	338.1834	2.1025	62.03		(339.1918, 3514.68)(340.1948, 1202.38)	FindByMolecularFeature	C20 H28 O3	4
Traumatic Acid	Traumatic Acid [ C12 H20 O4, overall=79.36, db=79.36, Lipid ID=LMFA01170002, CAS ID=6402-36-4, KEGG ID=C16308, METLIN ID=5882, HMP ID=HMDB00933 ]	6402-36-4		Traumatic Acid	+	250.1188	1.26275	79.36	C16308	(251.1261, 15793.77)(252.1287, 2786.78)	FindByMolecularFeature	C12 H20 O4	4	HMDB00933	LMFA01170002
Trichostatin A +2.29025	Trichostatin A [ C17 H22 N2 O3, overall=63.00, db=63.00, Lipid ID=LMPK01000055, CAS ID=58880-19-6, METLIN ID=46755 ]	58880-19-6		Trichostatin A +2.29025	+	302.1634	2.29025	63		(303.1706, 5409.37)(304.1735, 1948.02)	FindByMolecularFeature	C17 H22 N2 O3	4		LMPK01000055
Trichostatin A +6.292	Trichostatin A [ C17 H22 N2 O3, overall=78.62, db=78.62, Lipid ID=LMPK01000055, CAS ID=58880-19-6, METLIN ID=46755 ]	58880-19-6		Trichostatin A +6.292	+	302.1631	6.292	78.62		(303.1703, 7189.98)(304.174, 1813.26)	FindByMolecularFeature	C17 H22 N2 O3	4		LMPK01000055
Tris(butoxyethyl)phosphate	Tris(butoxyethyl)phosphate [ C18 H39 O7 P, overall=46.71, db=46.71, CAS ID=78-51-3, KEGG ID=C14446, METLIN ID=70068 ]	78-51-3		Tris(butoxyethyl)phosphate	+	398.2395	5.873	46.71	C14446	(421.2229, 1768.65)(399.2458, 4860.38)(400.2479, 925.77)	FindByMolecularFeature	C18 H39 O7 P	4
Troglitazone sulfate	Troglitazone sulfate [ C24 H27 N O8 S2, overall=57.19, db=57.19, CAS ID=107187-86-0, METLIN ID=2972 ]	107187-86-0		Troglitazone sulfate	+	538.1452	1.03225	57.19		(539.1525, 5899.83)(540.1499, 3027.7)(541.1473, 1416.39)	FindByMolecularFeature	C24 H27 N O8 S2	4
Tropacocaine	Tropacocaine [ C15 H19 N O2, overall=61.74, db=61.74, CAS ID=537-26-8, KEGG ID=C10848, METLIN ID=68627 ]	537-26-8		Tropacocaine	+	245.1398	6.64075	61.74	C10848	(268.1263, 1275.68)(246.1471, 7108.31)(247.1513, 1274.55)(248.1493, 784.27)	FindByMolecularFeature	C15 H19 N O2	4
Tropinone	Tropinone [ C8 H13 N O, overall=77.97, db=77.97, CAS ID=532-24-1, KEGG ID=C00783, METLIN ID=64425 ]	532-24-1		Tropinone	+	139.0997	1.76475	77.97	C00783	(140.107, 7393.42)(141.1077, 860.94)	FindByMolecularFeature	C8 H13 N O	4
Val Tyr	Val Tyr [ C14 H20 N2 O4, overall=64.94, db=64.94, METLIN ID=23812 ]			Val Tyr	+	280.1421	7.02175	64.94		(281.1494, 5132.56)(282.1508, 1377.54)	FindByMolecularFeature	C14 H20 N2 O4	4
Valerianine	Valerianine [ C11 H15 N O, overall=75.80, db=75.80, CAS ID=30634-66-3, KEGG ID=C09991, METLIN ID=68070 ]	30634-66-3		Valerianine	+	177.1159	5.3265	75.8	C09991	(178.1231, 9437.8)(179.1241, 1597.84)	FindByMolecularFeature	C11 H15 N O	4
Villinol	Villinol [ C24 H22 O8, overall=54.24, db=54.24, Lipid ID=LMPK12060072, METLIN ID=48081 ]			Villinol	+	438.1349	6.0579996	54.24		(439.1421, 5994.47)(440.1469, 1256.67)	FindByMolecularFeature	C24 H22 O8	4		LMPK12060072
VPGPR Enterostatin +7.7265	VPGPR Enterostatin [ C23 H40 N8 O6, overall=44.62, db=44.62, CAS ID=144964-56-7, METLIN ID=58161, HMP ID=HMDB03577 ]	144964-56-7		VPGPR Enterostatin +7.7265	+	541.3295	7.7265	44.62		(542.3371, 10696.28)(543.3397, 1627.07)	FindByMolecularFeature	C23 H40 N8 O6	4	HMDB03577
V-PYRRO/NO +4.3929996	V-PYRRO/NO [ C6 H11 N3 O2, overall=86.83, db=86.83, CAS ID=179344-98-0, METLIN ID=62984 ]	179344-98-0		V-PYRRO/NO +4.3929996	+	157.0852	4.3929996	86.83		(180.0751, 632.77)(158.0925, 22016.77)(159.0952, 1351.87)	FindByMolecularFeature	C6 H11 N3 O2	4
(11Z)-8,18-propano-retinal	(11Z)-8,18-propano-retinal [ C23 H32 O, overall=73.79, db=73.79, Lipid ID=LMPR01090045, METLIN ID=41535 ]			(11Z)-8,18-propano-retinal	+	324.2461	1.1826668	73.79		(325.2534, 6874.22)(326.2562, 2253.99)	FindByMolecularFeature	C23 H32 O	3		LMPR01090045
(2R)-2-Hydroxy-2-methylbutanenitrile +1.6293334	(2R)-2-Hydroxy-2-methylbutanenitrile [ C5 H9 N O, overall=85.68, db=85.68, KEGG ID=C18796, METLIN ID=72565 ]			(2R)-2-Hydroxy-2-methylbutanenitrile +1.6293334	+	99.0684	1.6293334	85.68	C18796	(100.0756, 17152.32)(101.0792, 1381.3)	FindByMolecularFeature	C5 H9 N O	3
(2R)-2-Hydroxy-2-methylbutanenitrile +6.4586663	(2R)-2-Hydroxy-2-methylbutanenitrile [ C5 H9 N O, overall=63.61, db=63.61, KEGG ID=C18796, METLIN ID=72565 ]			(2R)-2-Hydroxy-2-methylbutanenitrile +6.4586663	+	99.0683	6.4586663	63.61	C18796	(100.0756, 14596.27)(101.0747, 1878.02)(117.1024, 1798.58)	FindByMolecularFeature	C5 H9 N O	3
(2R,4S)-2,4-Diaminopentanoate	(2R,4S)-2,4-Diaminopentanoate [ C5 H12 N2 O2, overall=82.40, db=82.40, CAS ID=, KEGG ID=C03943, METLIN ID=63633 ]			(2R,4S)-2,4-Diaminopentanoate	+	132.0901	2.607	82.4	C03943	(133.0975, 21831.35)(134.0999, 2192.58)	FindByMolecularFeature	C5 H12 N2 O2	3
(9R,13R)-1a,1b-dihomo-jasmonic acid	(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 H22 O3, overall=78.55, db=78.55, Lipid ID=LMFA02010010, METLIN ID=36062 ]			(9R,13R)-1a,1b-dihomo-jasmonic acid	+	260.1379	6.9606667	78.55		(261.1449, 4188.49)(262.1495, 756.1)	FindByMolecularFeature	C14 H22 O3	3		LMFA02010010
(R*,S*)-4-[1-Ethyl-2-(4-fluorophenyl)butyl]phenol	(R*,S*)-4-[1-Ethyl-2-(4-fluorophenyl)butyl]phenol [ C18 H21 F O, overall=69.55, db=69.55, KEGG ID=C15463, METLIN ID=70927 ]			(R*,S*)-4-[1-Ethyl-2-(4-fluorophenyl)butyl]phenol	+	294.1404	4.471	69.55	C15463	(295.1477, 5651.55)(296.1527, 1240.29)(297.1446, 683.67)	FindByMolecularFeature	C18 H21 F O	3
(S)-2-Ethyl-3-hydroxypropionic acid	(S)-2-Ethyl-3-hydroxypropionic acid [ C5 H10 O3, overall=53.60, db=53.60, CAS ID=4374-62-3, METLIN ID=6618, HMP ID=HMDB02321 ]	4374-62-3		(S)-2-Ethyl-3-hydroxypropionic acid	+	135.0892	6.2083335	53.6		(136.0969, 5277.92)(137.105, 875.78)	FindByMolecularFeature	C5 H10 O3	3	HMDB02321
(S)-3'-Hydroxycoclaurine	(S)-3'-Hydroxycoclaurine [ C17 H19 N O4, overall=41.92, db=41.92, CAS ID=, KEGG ID=C06519, METLIN ID=64404 ]			(S)-3'-Hydroxycoclaurine	+	301.1339	1.251	41.92	C06519	(302.14, 3099.36)(319.1685, 901.37)(603.2793, 1165.0)	FindByMolecularFeature	C17 H19 N O4	3
(S)-Piperazine-2-carboxamide	(S)-Piperazine-2-carboxamide [ C5 H11 N3 O, overall=72.28, db=72.28, KEGG ID=C19782, METLIN ID=73356 ]			(S)-Piperazine-2-carboxamide	+	129.0907	5.0583334	72.28	C19782	(130.098, 9755.83)(131.1058, 811.8)	FindByMolecularFeature	C5 H11 N3 O	3
?-Glutamyl-?-aminopropiononitrile	?-Glutamyl-?-aminopropiononitrile [ C8 H13 N3 O3, overall=65.50, db=65.50, CAS ID=, KEGG ID=C06114, METLIN ID=63620 ]			?-Glutamyl-?-aminopropiononitrile	+	199.0966	6.057667	65.5	C06114	(222.0875, 643.0)(200.1036, 4138.98)(201.1047, 848.82)(202.1105, 556.71)	FindByMolecularFeature	C8 H13 N3 O3	3
?-PHENYL-gamma-Aminobutyric Acid +6.8700004	?-PHENYL-gamma-Aminobutyric Acid [ C10 H13 N O2, overall=79.83, db=79.83, CAS ID=1078-21-3, METLIN ID=73557 ]	1078-21-3		?-PHENYL-gamma-Aminobutyric Acid +6.8700004	+	179.0949	6.8700004	79.83		(180.1022, 14090.73)(181.1045, 2267.91)	FindByMolecularFeature	C10 H13 N O2	3
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide	1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide [ C11 H16 N2 O5, overall=62.32, db=62.32, KEGG ID=C15497, METLIN ID=62397, HMP ID=HMDB11648 ]			1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide	+	256.1065	2.4273336	62.32	C15497	(257.1138, 4373.88)(258.1154, 1128.58)	FindByMolecularFeature	C11 H16 N2 O5	3	HMDB11648
1,1-Diphenyl-2-(4-methoxyphenyl)propene +6.3176665	1,1-Diphenyl-2-(4-methoxyphenyl)propene [ C22 H20 O, overall=78.98, db=78.98, KEGG ID=C15179, METLIN ID=70669 ]			1,1-Diphenyl-2-(4-methoxyphenyl)propene +6.3176665	+	322.1351	6.3176665	78.98	C15179	(323.1425, 9708.6)(324.1455, 2503.16)(325.1452, 873.36)	FindByMolecularFeature	C22 H20 O	3
1,8-Diazacyclotetradecane-2,9-dione	1,8-Diazacyclotetradecane-2,9-dione [ C12 H22 N2 O2, overall=73.84, db=73.84, KEGG ID=C04277, METLIN ID=66151 ]			1,8-Diazacyclotetradecane-2,9-dione	+	226.1686	5.8266664	73.84	C04277	(227.1754, 4701.1)(228.1703, 621.7)	FindByMolecularFeature	C12 H22 N2 O2	3
1,9-Dimethyluric acid	1,9-Dimethyluric acid [ C7 H8 N4 O3, overall=58.26, db=58.26, CAS ID=55441-62-8, METLIN ID=58078, HMP ID=HMDB02026 ]	55441-62-8		1,9-Dimethyluric acid	+	196.0603	1.9743334	58.26		(197.0675, 5773.15)(198.0678, 1302.76)	FindByMolecularFeature	C7 H8 N4 O3	3	HMDB02026
11,12-dihydroxy stearic acid	11,12-dihydroxy stearic acid [ C18 H36 O4, overall=47.24, db=47.24, Lipid ID=LMFA01050093, METLIN ID=35470 ]			11,12-dihydroxy stearic acid	+	316.2606	1.1723332	47.24		(339.2467, 1452.85)(317.2683, 1722.72)	FindByMolecularFeature	C18 H36 O4	3		LMFA01050093
11?-(chloromethyl)-1?,25-dihydroxyvitamin D3 / 11?-(chloromethyl)-1?,25-dihydroxycholecalciferol	11?-(chloromethyl)-1?,25-dihydroxyvitamin D3 / 11?-(chloromethyl)-1?,25-dihydroxycholecalciferol [ C28 H45 Cl O3, overall=49.69, db=49.69, Lipid ID=LMST03020327, METLIN ID=42261 ]			11?-(chloromethyl)-1?,25-dihydroxyvitamin D3 / 11?-(chloromethyl)-1?,25-dihydroxycholecalciferol	+	486.2918	6.3929996	49.69		(487.298, 1922.7)(488.2935, 1485.6)	FindByMolecularFeature	C28 H45 Cl O3	3		LMST03020327
1123.7948@5.702				1123.7948@5.702	+	1123.7948	5.702			(1124.8021, 2465.16)(1125.8035, 903.5)	FindByMolecularFeature		3
11-Methyl-9Z,12-tridecadienyl acetate +1.175	11-Methyl-9Z,12-tridecadienyl acetate [ C16 H28 O2, overall=83.18, db=83.18, Lipid ID=LMFA05000328, METLIN ID=46279 ]			11-Methyl-9Z,12-tridecadienyl acetate +1.175	+	252.2093	1.175	83.18		(253.2166, 18771.06)(254.2189, 3751.48)(270.2456, 637.7)	FindByMolecularFeature	C16 H28 O2	3		LMFA05000328
1205.3063@1.0093333				1205.3063@1.0093333	+	1205.3063	1.0093333			(1206.3022, 1085.02)(1207.3025, 1008.68)(1208.297, 1057.65)(1223.3414, 5185.23)(1224.3396, 3252.06)(1225.3372, 1962.39)	FindByMolecularFeature		3
121.917@5.7693334				121.917@5.7693334	+	121.917	5.7693334			(122.9243, 29298.47)(123.9283, 627.98)	FindByMolecularFeature		3
1211.7618@5.6943336				1211.7618@5.6943336	+	1211.7618	5.6943336			(1212.7686, 2313.49)(1213.7744, 1312.37)	FindByMolecularFeature		3
1220.3351@1.0076667				1220.3351@1.0076667	+	1220.3351	1.0076667			(1221.3424, 3995.62)(1222.3423, 3918.97)(1223.3412, 2974.75)	FindByMolecularFeature		3
123.017@7.208				123.017@7.208	+	123.017	7.208			(124.0243, 10704.97)(125.0259, 2181.63)	FindByMolecularFeature		3
1294.356@1.011				1294.356@1.011	+	1294.356	1.011			(1295.3633, 3096.24)(1296.3622, 3674.69)(1297.361, 2849.37)	FindByMolecularFeature		3
13,14-dihydro-15-keto Prostaglandin J2 +1.1516666	13,14-dihydro-15-keto Prostaglandin J2 [ C20 H30 O4, overall=52.21, db=52.21, METLIN ID=45147 ]			13,14-dihydro-15-keto Prostaglandin J2 +1.1516666	+	334.2131	1.1516666	52.21		(335.2204, 2501.96)(336.2272, 1263.52)(352.2445, 998.41)	FindByMolecularFeature	C20 H30 O4	3
15-HETE-GABA	15-HETE-GABA [ C24 H39 N O4, overall=68.87, db=68.87, Lipid ID=LMFA08020148, METLIN ID=75529 ]			15-HETE-GABA	+	422.3134	1.6706667	68.87		(423.3207, 3072.37)(424.3242, 1128.48)	FindByMolecularFeature	C24 H39 N O4	3		LMFA08020148
15-Oxo-5?-cholan-24-oic Acid	15-Oxo-5?-cholan-24-oic Acid [ C24 H38 O3, overall=78.77, db=78.77, METLIN ID=42923 ]			15-Oxo-5?-cholan-24-oic Acid	+	374.2819	1.0803334	78.77		(397.2733, 2278.0)(398.2853, 1402.64)(375.2899, 2891.91)(376.297, 1410.08)(392.3157, 21903.4)(393.3195, 4510.33)	FindByMolecularFeature	C24 H38 O3	3
15-Oxo-5?-cholan-24-oic Acid +1.256	15-Oxo-5?-cholan-24-oic Acid [ C24 H38 O3, overall=52.76, db=52.76, METLIN ID=42923 ]			15-Oxo-5?-cholan-24-oic Acid +1.256	+	374.2821	1.256	52.76		(375.2894, 3358.86)(376.2998, 1216.16)	FindByMolecularFeature	C24 H38 O3	3
181.1309@1.4446665				181.1309@1.4446665	+	181.1309	1.4446665			(182.1382, 2067.06)(183.1412, 1115.24)(184.1332, 1571.63)	FindByMolecularFeature		3
18-hydroxy-9R,10S-epoxy-stearic acid +1.2876667	18-hydroxy-9R,10S-epoxy-stearic acid [ C18 H34 O4, overall=41.11, db=41.11, Lipid ID=LMFA02000003, METLIN ID=36010 ]			18-hydroxy-9R,10S-epoxy-stearic acid +1.2876667	+	314.2478	1.2876667	41.11		(337.2377, 6215.1)(338.2421, 2148.47)(315.2528, 2164.0)(316.2492, 1285.59)	FindByMolecularFeature	C18 H34 O4	3		LMFA02000003
1-Aminocyclohexanecarboxylic acid +5.130333	1-Aminocyclohexanecarboxylic acid [ C7 H13 N O2, overall=86.12, db=86.12, CAS ID=2756-85-6, METLIN ID=6589, HMP ID=HMDB02279 ]	2756-85-6		1-Aminocyclohexanecarboxylic acid +5.130333	+	143.095	5.130333	86.12		(144.1023, 15818.22)(145.1048, 1092.6)	FindByMolecularFeature	C7 H13 N O2	3	HMDB02279
1beta,3beta,5alpha,6beta-tetrahydroxyandrostan-17-one	1beta,3beta,5alpha,6beta-tetrahydroxyandrostan-17-one [ C19 H30 O5, overall=81.74, db=81.74, Lipid ID=LMST02020108, METLIN ID=84294 ]			1beta,3beta,5alpha,6beta-tetrahydroxyandrostan-17-one	+	338.2092	1.1216667	81.74		(361.1973, 1559.85)(339.2186, 2393.59)(340.211, 2020.24)(341.21, 1689.14)(356.2429, 6239.61)(357.2473, 1115.56)	FindByMolecularFeature	C19 H30 O5	3		LMST02020108
1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol	1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol [ C7 H16 N4 O4, overall=40.50, db=40.50, CAS ID=, KEGG ID=C01298, METLIN ID=64557 ]			1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol	+	220.1149	2.4966667	40.5	C01298	(221.1222, 6661.45)(222.1222, 1260.4)	FindByMolecularFeature	C7 H16 N4 O4	3
1-Methylhypoxanthine +2.371	1-Methylhypoxanthine [ C6 H6 N4 O, overall=57.29, db=57.29, CAS ID=1125-39-9, METLIN ID=3779 ]	1125-39-9		1-Methylhypoxanthine +2.371	+	150.0544	2.371	57.29		(151.0618, 6718.76)(152.0689, 1035.62)(153.0664, 1319.35)	FindByMolecularFeature	C6 H6 N4 O	3
2-(N-morpholino)ethanesulfonic acid +6.4026666	2-(N-morpholino)ethanesulfonic acid [ C6 H13 N O4 S, overall=69.80, db=69.80, CAS ID=4432-31-9, METLIN ID=44696 ]	4432-31-9		2-(N-morpholino)ethanesulfonic acid +6.4026666	+	195.0567	6.4026666	69.8		(196.0636, 8224.6)(197.0661, 1183.39)	FindByMolecularFeature	C6 H13 N O4 S	3
2,3,5-Trimethacarb +6.6106663	2,3,5-Trimethacarb [ C11 H15 N O2, overall=65.88, db=65.88, CAS ID=2655-15-4, KEGG ID=C18957, METLIN ID=72717 ]	2655-15-4		2,3,5-Trimethacarb +6.6106663	+	193.1106	6.6106663	65.88	C18957	(194.1179, 16956.83)(195.1218, 4043.98)	FindByMolecularFeature	C11 H15 N O2	3
2,3-Dinor-11b-PGF2?	2,3-Dinor-11b-PGF2? [ C18 H30 O5, overall=81.85, db=81.85, Lipid ID=LMFA03010011, CAS ID=240405-20-3, METLIN ID=3811 ]	240405-20-3		2,3-Dinor-11b-PGF2?	+	326.2093	1.3816667	81.85		(327.2167, 12181.98)(328.2203, 2866.21)	FindByMolecularFeature	C18 H30 O5	3		LMFA03010011
2,4-Diaminoanisole	2,4-Diaminoanisole [ C7 H10 N2 O, overall=68.36, db=68.36, CAS ID=615-05-4, KEGG ID=C19218, METLIN ID=72941 ]	615-05-4		2,4-Diaminoanisole	+	155.1061	5.011667	68.36	C19218	(156.1134, 11880.95)(157.1172, 1165.23)(158.1176, 8718.33)	FindByMolecularFeature	C7 H10 N2 O	3
2,4-Diaminoanisole +3.5993335	2,4-Diaminoanisole [ C7 H10 N2 O, overall=83.94, db=83.94, CAS ID=615-05-4, KEGG ID=C19218, METLIN ID=72941 ]	615-05-4		2,4-Diaminoanisole +3.5993335	+	155.1061	3.5993335	83.94	C19218	(156.1134, 13257.69)(157.116, 1510.09)(158.1174, 1100.09)	FindByMolecularFeature	C7 H10 N2 O	3
24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol	24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol [ C23 H40 O5, overall=53.41, db=53.41, Lipid ID=LMST04060001, METLIN ID=84906 ]			24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol	+	396.2868	1.1713334	53.41		(397.2931, 1131.36)(414.3208, 6897.81)(415.3222, 3455.44)(416.3206, 1283.13)	FindByMolecularFeature	C23 H40 O5	3		LMST04060001
2-amino-8-oxo-9,10-epoxy-decanoic acid +1.9973334	2-amino-8-oxo-9,10-epoxy-decanoic acid [ C10 H17 N O4, overall=49.43, db=49.43, KEGG ID=C12027, METLIN ID=35859 ]			2-amino-8-oxo-9,10-epoxy-decanoic acid +1.9973334	+	215.1159	1.9973334	49.43	C12027	(216.1231, 3756.42)(217.1163, 794.21)	FindByMolecularFeature	C10 H17 N O4	3
2'-Deoxymugineic acid +6.6060004	2'-Deoxymugineic acid [ C12 H20 N2 O7, overall=80.50, db=80.50, CAS ID=74235-24-8, KEGG ID=C15485, METLIN ID=70941 ]	74235-24-8		2'-Deoxymugineic acid +6.6060004	+	304.1268	6.6060004	80.5	C15485	(305.1341, 4787.48)(306.1388, 814.58)	FindByMolecularFeature	C12 H20 N2 O7	3
2E-hexenol +1.193	2E-hexenol [ C6 H12 O, overall=52.25, db=52.25, Lipid ID=LMFA05000060, METLIN ID=36517 ]			2E-hexenol +1.193	+	100.0896	1.193	52.25		(123.0802, 1604.38)(223.1702, 1474.39)(101.0966, 6600.68)(102.0928, 1258.67)	FindByMolecularFeature	C6 H12 O	3		LMFA05000060
2-Ethyltoluene	2-Ethyltoluene [ C9 H12, overall=79.31, db=79.31, CAS ID=611-14-3, KEGG ID=C14572, METLIN ID=70167 ]	611-14-3		2-Ethyltoluene	+	120.093	1.1456666	79.31	C14572	(121.1005, 60025.86)(122.1023, 5503.82)	FindByMolecularFeature	C9 H12	3
2-Hexynoic acid, 6-hydroxy-	2-Hexynoic acid, 6-hydroxy- [ C6 H8 O3, overall=86.78, db=86.78, Lipid ID=LMFA01050273, METLIN ID=74637 ]			2-Hexynoic acid, 6-hydroxy-	+	128.0477	6.2776666	86.78		(129.056, 4099.46)(130.0613, 786.05)(146.0814, 86143.12)(147.0847, 7128.71)	FindByMolecularFeature	C6 H8 O3	3		LMFA01050273
2-Hexynoic acid, 6-hydroxy- +7.3039994	2-Hexynoic acid, 6-hydroxy- [ C6 H8 O3, overall=41.59, db=41.59, Lipid ID=LMFA01050273, METLIN ID=74637 ]			2-Hexynoic acid, 6-hydroxy- +7.3039994	+	150.028	7.3039994	41.59		(151.0353, 14751.92)(152.0365, 3051.66)	FindByMolecularFeature	C6 H8 O3	3		LMFA01050273
2-Hydroxyethinylestradiol	2-Hydroxyethinylestradiol [ C20 H24 O3, overall=78.24, db=78.24, CAS ID=50394-89-3, METLIN ID=1160 ]	50394-89-3		2-Hydroxyethinylestradiol	+	334.153	1.223	78.24		(335.1606, 6912.64)(336.1654, 1717.35)	FindByMolecularFeature	C20 H24 O3	3
2-Hydroxyfelbamate +6.2269998	2-Hydroxyfelbamate [ C11 H14 N2 O5, overall=80.88, db=80.88, CAS ID=109482-32-8, KEGG ID=C16582, METLIN ID=2655 ]	109482-32-8		2-Hydroxyfelbamate +6.2269998	+	254.0905	6.2269998	80.88	C16582	(255.0976, 13375.67)(256.1025, 1999.09)	FindByMolecularFeature	C11 H14 N2 O5	3
2-Hydroxypyridine +4.9263334	2-Hydroxypyridine [ C5 H5 N O, overall=89.90, db=89.90, CAS ID=142-08-5, KEGG ID=C02502, METLIN ID=65779 ]	142-08-5		2-Hydroxypyridine +4.9263334	+	112.0634	4.9263334	89.9	C02502	(113.0707, 53071.1)(114.0765, 3260.31)(115.0876, 767.65)	FindByMolecularFeature	C5 H5 N O	3
2-Imino-4-methylpiperidine	2-Imino-4-methylpiperidine [ C6 H12 N2, overall=38.33, db=38.33, CAS ID=165383-72-2, METLIN ID=64866 ]	165383-72-2		2-Imino-4-methylpiperidine	+	112.0998	7.640333	38.33		(113.1071, 9740.17)(114.1019, 2086.46)	FindByMolecularFeature	C6 H12 N2	3
3,4,5-Trimethoxytoluene	3,4,5-Trimethoxytoluene [ C10 H14 O3, overall=66.74, db=66.74, CAS ID=6443-69-2, KEGG ID=C17822, METLIN ID=71916 ]	6443-69-2		3,4,5-Trimethoxytoluene	+	204.0754	2.9126666	66.74	C17822	(205.0826, 7488.12)(206.0862, 1540.07)	FindByMolecularFeature	C10 H14 O3	3
3,6-dioxo-decanoic acid +6.36	3,6-dioxo-decanoic acid [ C10 H16 O4, overall=69.02, db=69.02, Lipid ID=LMFA01060079, METLIN ID=74717 ]			3,6-dioxo-decanoic acid +6.36	+	217.1317	6.36	69.02		(218.1389, 3656.7)(219.1463, 592.2)	FindByMolecularFeature	C10 H16 O4	3		LMFA01060079
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.6843333	3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid [ C24 H38 O4, overall=79.13, db=79.13, KEGG ID=C11637, METLIN ID=42805 ]			3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.6843333	+	390.277	1.6843333	79.13	C11637	(391.2844, 6148.35)(392.2882, 1858.98)(393.2964, 748.59)(781.5603, 1582.09)(782.5655, 935.02)	FindByMolecularFeature	C24 H38 O4	3
3?,5?-Tetrahydronorethindrone glucuronide	3?,5?-Tetrahydronorethindrone glucuronide [ C26 H38 O8, overall=73.98, db=73.98, CAS ID=, METLIN ID=1058 ]			3?,5?-Tetrahydronorethindrone glucuronide	+	478.2564	2.221	73.98		(479.2626, 3503.78)(480.267, 1120.95)(496.2908, 3469.57)(497.2933, 1066.78)	FindByMolecularFeature	C26 H38 O8	3
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +1.4499999	3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid [ C24 H38 O5, overall=98.64, db=98.64, METLIN ID=42887 ]			3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +1.4499999	+	406.2719	1.4499999	98.64		(429.2608, 3757.62)(407.2792, 16442.47)(408.2829, 4631.23)(409.2849, 1033.14)(424.3052, 4511.79)(425.2988, 1637.1)	FindByMolecularFeature	C24 H38 O5	3
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.5216666	3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid [ C24 H36 O3, overall=98.52, db=98.52, METLIN ID=42909 ]			3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.5216666	+	372.2663	1.5216666	98.52		(373.2734, 23431.93)(374.2771, 6009.56)(375.2817, 1243.66)	FindByMolecularFeature	C24 H36 O3	3
321.2877@1.165				321.2877@1.165	+	321.2877	1.165			(322.295, 2527.14)(323.2978, 868.54)(324.2819, 2276.34)	FindByMolecularFeature		3
384.7337@5.8093333				384.7337@5.8093333	+	384.7337	5.8093333			(385.741, 10522.94)(386.745, 1304.2)(770.4738, 4144.64)(771.4783, 1435.01)	FindByMolecularFeature		3
3-Dehydrocarnitine +6.873667	3-Dehydrocarnitine [ C7 H14 N O3, overall=97.30, db=97.30, CAS ID=10457-99-5, KEGG ID=C02636, METLIN ID=958 ]	10457-99-5		3-Dehydrocarnitine +6.873667	+	159.0897	6.873667	97.3	C02636	(182.0797, 1653.33)(160.0969, 82786.92)(161.1004, 7807.69)(162.1108, 1180.92)	FindByMolecularFeature	C7 H14 N O3	3
3-Guanidinopropanoate +6.677	3-Guanidinopropanoate [ C4 H9 N3 O2, overall=82.46, db=82.46, CAS ID=353-09-3, KEGG ID=C03065, METLIN ID=65896 ]	353-09-3		3-Guanidinopropanoate +6.677	+	131.0693	6.677	82.46	C03065	(132.0765, 8110.17)(133.0786, 763.4)(263.1398, 1948.32)	FindByMolecularFeature	C4 H9 N3 O2	3
3-hexenal	3-hexenal [ C6 H10 O, overall=46.42, db=46.42, Lipid ID=LMFA06000003, METLIN ID=75293 ]			3-hexenal	+	98.0731	1.177	46.42		(99.0808, 1330.38)(214.1806, 1567.41)(197.1532, 2457.53)	FindByMolecularFeature	C6 H10 O	3		LMFA06000003
3-hexenedial +2.3813334	3-hexenedial [ C6 H8 O2, overall=75.52, db=75.52, Lipid ID=LMFA06000010, METLIN ID=36532 ]			3-hexenedial +2.3813334	+	112.0524	2.3813334	75.52		(247.0986, 1414.55)(113.0597, 18392.32)(114.0645, 1700.77)(115.0512, 1027.8)	FindByMolecularFeature	C6 H8 O2	3		LMFA06000010
3-Hydroxybiphenyl	3-Hydroxybiphenyl [ C12 H10 O, overall=68.56, db=68.56, CAS ID=580-51-8, KEGG ID=C14342, METLIN ID=69979 ]	580-51-8		3-Hydroxybiphenyl	+	187.0999	5.2753334	68.56	C14342	(188.1076, 4599.31)(189.1119, 1002.59)	FindByMolecularFeature	C12 H10 O	3
3-Methylorsellinic Acid +2.2306666	3-Methylorsellinic Acid [ C9 H10 O4, overall=68.59, db=68.59, CAS ID=4707-46-4, METLIN ID=43818 ]	4707-46-4		3-Methylorsellinic Acid +2.2306666	+	199.085	2.2306666	68.59		(200.0922, 7120.63)(201.0976, 1178.26)	FindByMolecularFeature	C9 H10 O4	3
3-Phenylpropionaldoxim	3-Phenylpropionaldoxim [ C9 H11 N O, overall=61.02, db=61.02, CAS ID=, KEGG ID=C17236, METLIN ID=64524 ]			3-Phenylpropionaldoxim	+	149.0842	5.295	61.02	C17236	(150.0915, 9457.54)(151.0959, 2205.58)	FindByMolecularFeature	C9 H11 N O	3
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol	4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol [ C10 H15 N3 O3, overall=57.41, db=57.41, CAS ID=85352-99-4, KEGG ID=C19603, METLIN ID=73258 ]	85352-99-4		4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol	+	242.1381	6.64	57.41	C19603	(243.1454, 6936.24)(244.1422, 1569.43)	FindByMolecularFeature	C10 H15 N3 O3	3
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol +1.8389999	4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol [ C10 H15 N3 O3, overall=67.80, db=67.80, CAS ID=85352-99-4, KEGG ID=C19603, METLIN ID=73258 ]	85352-99-4		4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol +1.8389999	+	225.1123	1.8389999	67.8	C19603	(226.1196, 3312.76)(227.1228, 346.12)(228.123, 1274.51)	FindByMolecularFeature	C10 H15 N3 O3	3
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol +6.738333	4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol [ C6 H8 N2 O2, overall=47.55, db=47.55, CAS ID=64603-91-4, KEGG ID=C13693, METLIN ID=69640 ]	64603-91-4		4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol +6.738333	+	140.0585	6.738333	47.55	C13693	(141.0662, 2627.4)(158.0923, 4279.52)	FindByMolecularFeature	C6 H8 N2 O2	3
422.7693@5.8033333				422.7693@5.8033333	+	422.7693	5.8033333			(423.7765, 9412.83)(424.7824, 773.95)	FindByMolecularFeature		3
426.2589@1.6586666				426.2589@1.6586666	+	426.2589	1.6586666			(427.2675, 1683.6)(428.2655, 871.01)(429.2524, 836.14)	FindByMolecularFeature		3
466.7957@6.133				466.7957@6.133	+	466.7957	6.133			(467.803, 8224.84)(468.8062, 1012.6)	FindByMolecularFeature		3
4-Methoxytyramine +6.6496663	4-Methoxytyramine [ C9 H13 N O2, overall=65.65, db=65.65, CAS ID=3213-30-7, KEGG ID=, METLIN ID=62825, HMP ID=HMDB12162 ]	3213-30-7		4-Methoxytyramine +6.6496663	+	167.0951	6.6496663	65.65		(168.1024, 5815.13)(169.101, 1026.92)	FindByMolecularFeature	C9 H13 N O2	3	HMDB12162
4-Methylaminobutyrate +1.7296667	4-Methylaminobutyrate [ C5 H11 N O2, overall=85.28, db=85.28, CAS ID=1119-48-8, KEGG ID=C15987, METLIN ID=63884 ]	1119-48-8		4-Methylaminobutyrate +1.7296667	+	117.079	1.7296667	85.28	C15987	(118.0863, 15710.44)(119.0888, 1311.32)(235.1688, 763.54)	FindByMolecularFeature	C5 H11 N O2	3
4-Nitrotoluene +6.6433334	4-Nitrotoluene [ C7 H7 N O2, overall=98.22, db=98.22, CAS ID=99-99-0, KEGG ID=C14394, METLIN ID=70025 ]	99-99-0		4-Nitrotoluene +6.6433334	+	154.0741	6.6433334	98.22	C14394	(155.0814, 61596.45)(156.0847, 5337.54)(157.0907, 1232.46)	FindByMolecularFeature	C7 H7 N O2	3
4-Oxovalproic acid +6.5709996	4-Oxovalproic acid [ C8 H14 O3, overall=59.81, db=59.81, CAS ID=688-04-0, KEGG ID=C16655, METLIN ID=2995 ]	688-04-0		4-Oxovalproic acid +6.5709996	+	175.1211	6.5709996	59.81	C16655	(176.1285, 4931.98)(177.1336, 760.59)(178.1278, 750.51)	FindByMolecularFeature	C8 H14 O3	3
5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone [ C18 H18 O8, overall=77.56, db=77.56, Lipid ID=LMPK12140637, METLIN ID=53114 ]			5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone	+	379.1267	1.5486666	77.56		(380.1341, 5512.2)(381.1379, 1410.77)	FindByMolecularFeature	C18 H18 O8	3		LMPK12140637
502.1015@1.0300001				502.1015@1.0300001	+	502.1015	1.0300001			(503.1068, 1382.88)(504.1081, 827.07)(505.0904, 1512.35)	FindByMolecularFeature		3
526.6538@7.921				526.6538@7.921	+	526.6538	7.921			(527.6612, 5178.12)(528.6668, 633.44)	FindByMolecularFeature		3
578.4189@4.457667				578.4189@4.457667	+	578.4189	4.457667			(579.4274, 3102.09)(580.4246, 2327.89)	FindByMolecularFeature		3
595.1318@1.0263333				595.1318@1.0263333	+	595.1318	1.0263333			(596.1413, 1083.46)(597.1307, 1088.96)(613.1722, 14967.12)(614.1673, 10335.14)(615.1649, 4928.56)(616.1644, 1881.26)	FindByMolecularFeature		3
596.1202@1.045				596.1202@1.045	+	596.1202	1.045			(597.1275, 2043.9)(598.1255, 1367.01)(599.1157, 793.13)	FindByMolecularFeature		3
597.1772@1.0363333				597.1772@1.0363333	+	597.1772	1.0363333			(598.1845, 2709.4)(599.1844, 2095.05)(600.1766, 1016.9)	FindByMolecularFeature		3
5-Hydroxy-3,4-dihydrocarbostyryl	5-Hydroxy-3,4-dihydrocarbostyryl [ C9 H9 N O2, overall=68.94, db=68.94, CAS ID=30389-33-4, METLIN ID=1550 ]	30389-33-4		5-Hydroxy-3,4-dihydrocarbostyryl	+	163.0636	3.3633335	68.94		(164.0709, 4861.71)(165.073, 1123.03)(166.0758, 1672.05)	FindByMolecularFeature	C9 H9 N O2	3
5-Hydroxydopamine +6.352667	5-Hydroxydopamine [ C8 H11 N O3, overall=58.33, db=58.33, CAS ID=1927-04-4, METLIN ID=7081, HMP ID=HMDB04817 ]	4/4/1927		5-Hydroxydopamine +6.352667	+	169.0752	6.352667	58.33		(170.0825, 3209.38)(171.0791, 636.38)(187.1081, 2260.54)	FindByMolecularFeature	C8 H11 N O3	3	HMDB04817
5-Hydroxyindol-2-carboxylic acid	5-Hydroxyindol-2-carboxylic acid [ C9 H7 N O3, overall=87.32, db=87.32, CAS ID=21598-06-1, METLIN ID=44729 ]	21598-06-1		5-Hydroxyindol-2-carboxylic acid	+	177.0426	2.2193334	87.32		(178.0501, 9338.56)(179.0532, 971.51)	FindByMolecularFeature	C9 H7 N O3	3
5-methyl-octadecanoic acid	5-methyl-octadecanoic acid [ C19 H38 O2, overall=54.50, db=54.50, METLIN ID=34606 ]			5-methyl-octadecanoic acid	+	315.3134	4.3059998	54.5		(316.3209, 2850.16)(317.3218, 1147.57)	FindByMolecularFeature	C19 H38 O2	3
5-Phenyl-1,3-oxazinane-2,4-dione	5-Phenyl-1,3-oxazinane-2,4-dione [ C10 H9 N O3, overall=78.08, db=78.08, KEGG ID=C16596, METLIN ID=71253 ]			5-Phenyl-1,3-oxazinane-2,4-dione	+	191.0587	1.5209999	78.08	C16596	(214.0473, 1387.64)(192.066, 7830.04)(193.0684, 1309.79)	FindByMolecularFeature	C10 H9 N O3	3
6,7-Dichloro-3-Hydroxy-2-Quinoxalinecarboxylic Acid	6,7-Dichloro-3-Hydroxy-2-Quinoxalinecarboxylic Acid [ C9 H4 Cl2 N2 O3, overall=55.43, db=55.43, CAS ID=, METLIN ID=43878 ]			6,7-Dichloro-3-Hydroxy-2-Quinoxalinecarboxylic Acid	+	274.9868	2.8153334	55.43		(275.9941, 4101.33)(276.995, 1049.45)	FindByMolecularFeature	C9 H4 Cl2 N2 O3	3
6'?-Hydroxylovastatin	6'?-Hydroxylovastatin [ C24 H36 O6, overall=75.91, db=75.91, CAS ID=125638-71-3, METLIN ID=1038 ]	125638-71-3		6'?-Hydroxylovastatin	+	420.2521	6.054333	75.91		(443.2349, 1352.64)(421.2593, 3185.04)(422.2624, 998.99)	FindByMolecularFeature	C24 H36 O6	3
664.7369@8.762				664.7369@8.762	+	664.7369	8.762			(665.7442, 5047.05)(666.7476, 1230.82)	FindByMolecularFeature		3
669.5359@1.1403333				669.5359@1.1403333	+	669.5359	1.1403333			(670.5422, 2309.63)(671.541, 1530.11)(672.5264, 2177.06)	FindByMolecularFeature		3
683.5369@1.0243334				683.5369@1.0243334	+	683.5369	1.0243334			(684.5442, 1633.88)(685.5445, 1332.37)(686.5541, 1990.66)	FindByMolecularFeature		3
6-hydroxy caproic acid	6-hydroxy caproic acid [ C6 H12 O3, overall=64.49, db=64.49, Lipid ID=LMFA01050015, KEGG ID=C06103, METLIN ID=35397 ]			6-hydroxy caproic acid	+	132.0789	1.7133332	64.49	C06103	(287.1423, 780.34)(133.0862, 5203.77)(134.082, 688.61)	FindByMolecularFeature	C6 H12 O3	3		LMFA01050015
6-Hydroxyindolelactate	6-Hydroxyindolelactate [ C11 H11 N O4, overall=72.37, db=72.37, KEGG ID=C05657, METLIN ID=66327 ]			6-Hydroxyindolelactate	+	221.0694	3.7293332	72.37	C05657	(222.0763, 4364.14)(223.0792, 923.01)	FindByMolecularFeature	C11 H11 N O4	3
6-nonenal +1.1750001	6-nonenal [ C9 H16 O, overall=46.83, db=46.83, METLIN ID=36564 ]			6-nonenal +1.1750001	+	140.1206	1.1750001	46.83		(163.1113, 861.27)(303.2308, 965.96)(141.1275, 1130.14)(158.1543, 8083.19)(281.25, 2267.8)	FindByMolecularFeature	C9 H16 O	3
6Z-hexadecenoic acid	6Z-hexadecenoic acid [ C16 H30 O2, overall=59.13, db=59.13, METLIN ID=34931 ]			6Z-hexadecenoic acid	+	276.2072	1.0953335	59.13		(277.2144, 2854.18)(278.217, 1120.29)	FindByMolecularFeature	C16 H30 O2	3
7,8-Dihydro-14-hydroxynormorphine	7,8-Dihydro-14-hydroxynormorphine [ C16 H19 N O4, overall=80.27, db=80.27, CAS ID=58477-92-2, METLIN ID=1401 ]	58477-92-2		7,8-Dihydro-14-hydroxynormorphine	+	306.1581	2.2299998	80.27		(307.1654, 7100.31)(308.1681, 1649.66)	FindByMolecularFeature	C16 H19 N O4	3
763.6327@1.0156666				763.6327@1.0156666	+	763.6327	1.0156666			(764.6399, 1662.09)(765.6438, 849.02)(766.6548, 11241.13)	FindByMolecularFeature		3
766.6517@1.0203333				766.6517@1.0203333	+	766.6517	1.0203333			(767.6582, 6208.84)(768.6694, 6012.7)(769.6726, 2551.65)(770.669, 715.33)	FindByMolecularFeature		3
7-octenoic acid	7-octenoic acid [ C8 H14 O2, overall=36.20, db=36.20, METLIN ID=35230 ]			7-octenoic acid	+	142.0995	1.2376667	36.2		(143.1058, 2064.64)(302.2327, 881.82)(285.2075, 2537.71)	FindByMolecularFeature	C8 H14 O2	3
832.2333@1.0193334				832.2333@1.0193334	+	832.2333	1.0193334			(833.2419, 9289.57)(834.239, 8044.65)(835.2384, 4406.35)	FindByMolecularFeature		3
850.245@1.0153333				850.245@1.0153333	+	850.245	1.0153333			(851.2523, 27635.37)(852.2504, 24663.03)(853.2506, 12767.5)	FindByMolecularFeature		3
893.2532@1.0136667				893.2532@1.0136667	+	893.2532	1.0136667			(894.261, 1353.53)(895.2593, 1255.22)(896.2559, 1335.27)(897.2619, 777.56)	FindByMolecularFeature		3
8-tridecynoic acid +6.5343337	8-tridecynoic acid [ C13 H22 O2, overall=73.87, db=73.87, METLIN ID=35255 ]			8-tridecynoic acid +6.5343337	+	232.1461	6.5343337	73.87		(255.135, 627.21)(233.1506, 4506.51)(234.1531, 940.57)	FindByMolecularFeature	C13 H22 O2	3
9,11alpha-epoxy-6alpha-acetoxy-cholest-7-en-3beta,5alpha,19-triol	9,11alpha-epoxy-6alpha-acetoxy-cholest-7-en-3beta,5alpha,19-triol [ C29 H46 O6, overall=77.53, db=77.53, Lipid ID=LMST01010293, METLIN ID=83895 ]			9,11alpha-epoxy-6alpha-acetoxy-cholest-7-en-3beta,5alpha,19-triol	+	507.3562	1.849	77.53		(508.3635, 2824.31)(509.3658, 929.47)	FindByMolecularFeature	C29 H46 O6	3		LMST01010293
912.8264@5.688				912.8264@5.688	+	912.8264	5.688			(913.8329, 2229.76)(914.8311, 647.86)	FindByMolecularFeature		3
921.7644@1.051				921.7644@1.051	+	921.7644	1.051			(922.7711, 1356.49)(923.7716, 908.26)(924.7847, 3185.4)(925.7906, 2443.99)	FindByMolecularFeature		3
9-O-Demethyl-2alpha-hydroxyhomolycorine	9-O-Demethyl-2alpha-hydroxyhomolycorine [ C17 H19 N O5, overall=79.59, db=79.59, KEGG ID=C12239, METLIN ID=69386 ]			9-O-Demethyl-2alpha-hydroxyhomolycorine	+	334.1527	6.2520003	79.59	C12239	(335.16, 6264.86)(336.1639, 1517.08)	FindByMolecularFeature	C17 H19 N O5	3
9Z,12E,15Z-octadecatrienoic acid +1.1836667	9Z,12E,15Z-octadecatrienoic acid [ C18 H30 O2, overall=46.52, db=46.52, METLIN ID=35016 ]			9Z,12E,15Z-octadecatrienoic acid +1.1836667	+	278.2251	1.1836667	46.52		(301.2142, 1622.12)(279.2324, 3420.25)	FindByMolecularFeature	C18 H30 O2	3
a-[1-(diethylamino)ethyl]-p-hydroxy-Benzyl alcohol	a-[1-(diethylamino)ethyl]-p-hydroxy-Benzyl alcohol [ C13 H21 N O2, overall=69.40, db=69.40, CAS ID=18259-41-1, METLIN ID=2015 ]	18259-41-1		a-[1-(diethylamino)ethyl]-p-hydroxy-Benzyl alcohol	+	223.1582	4.307667	69.4		(224.1655, 6515.32)(225.1644, 614.78)	FindByMolecularFeature	C13 H21 N O2	3
Ac-Tyr-OEt	Ac-Tyr-OEt [ C13 H17 N O4, overall=26.22, db=26.22, CAS ID=840-97-1, KEGG ID=C01657, METLIN ID=65627 ]	840-97-1		Ac-Tyr-OEt	+	251.1162	1.5813333	26.22	C01657	(252.1235, 3908.34)(253.1344, 1757.71)	FindByMolecularFeature	C13 H17 N O4	3
Ac-Tyr-OEt +6.5769997	Ac-Tyr-OEt [ C13 H17 N O4, overall=41.48, db=41.48, CAS ID=840-97-1, KEGG ID=C01657, METLIN ID=65627 ]	840-97-1		Ac-Tyr-OEt +6.5769997	+	229.1331	6.5769997	41.48	C01657	(252.1243, 2947.4)(230.1391, 2429.78)(231.1459, 550.76)	FindByMolecularFeature	C13 H17 N O4	3
Ac-Tyr-OEt +6.7226663	Ac-Tyr-OEt [ C13 H17 N O4, overall=98.78, db=98.78, CAS ID=840-97-1, KEGG ID=C01657, METLIN ID=65627 ]	840-97-1		Ac-Tyr-OEt +6.7226663	+	251.1161	6.7226663	98.78	C01657	(252.1235, 54591.79)(253.1268, 7996.88)(254.1298, 1395.31)(269.1493, 1624.1)	FindByMolecularFeature	C13 H17 N O4	3
Aeroplysinin 1	Aeroplysinin 1 [ C9 H9 Br2 N O3, overall=49.30, db=49.30, CAS ID=28656-91-9, KEGG ID=C17099, METLIN ID=71558 ]	28656-91-9		Aeroplysinin 1	+	353.9241	6.066667	49.3	C17099	(354.9314, 2344.21)(355.928, 1205.57)	FindByMolecularFeature	C9 H9 Br2 N O3	3
Agecorynin D	Agecorynin D [ C19 H18 O9, overall=80.96, db=80.96, Lipid ID=LMPK12111500, METLIN ID=49922 ]			Agecorynin D	+	390.0948	2.9140003	80.96		(391.1018, 5930.21)(392.1054, 1030.68)	FindByMolecularFeature	C19 H18 O9	3		LMPK12111500
Amino acid(Arg-) +8.681333	Amino acid(Arg-) [ C6 H14 N4 O2, overall=75.04, db=75.04, KEGG ID=C02385, METLIN ID=63425 ]			Amino acid(Arg-) +8.681333	+	174.1118	8.681333	75.04	C02385	(175.1191, 10515.11)(176.1239, 1260.37)	FindByMolecularFeature	C6 H14 N4 O2	3
aminohippuric acid	aminohippuric acid [ C9 H10 N2 O3, overall=82.20, db=82.20, CAS ID=61-78-9, METLIN ID=3927 ]	61-78-9		aminohippuric acid	+	194.0692	7.9583335	82.2		(195.0765, 10857.7)(196.0809, 1402.61)	FindByMolecularFeature	C9 H10 N2 O3	3
Ammodendrine +6.370333	Ammodendrine [ C12 H20 N2 O, overall=64.09, db=64.09, CAS ID=494-15-5, KEGG ID=C10125, METLIN ID=68134 ]	494-15-5		Ammodendrine +6.370333	+	230.1382	6.370333	64.09	C10125	(231.1455, 7428.31)(232.1518, 1638.83)	FindByMolecularFeature	C12 H20 N2 O	3
Anapheline	Anapheline [ C13 H24 N2 O, overall=32.16, db=32.16, CAS ID=19519-53-0, KEGG ID=C06183, METLIN ID=64435 ]	19519-53-0		Anapheline	+	224.1804	1.1876668	32.16	C06183	(247.1714, 1543.2)(225.1941, 4467.38)(242.2135, 727.11)(466.4087, 1503.13)	FindByMolecularFeature	C13 H24 N2 O	3
Arborinine +1.8623333	Arborinine [ C16 H15 N O4, overall=54.61, db=54.61, CAS ID=5489-57-6, KEGG ID=C10643, METLIN ID=68458 ]	5489-57-6		Arborinine +1.8623333	+	302.1269	1.8623333	54.61	C10643	(303.1341, 4672.96)(304.1333, 1506.34)	FindByMolecularFeature	C16 H15 N O4	3
Atropaldehyde	Atropaldehyde [ C9 H8 O, overall=19.23, db=19.23, KEGG ID=C16592, METLIN ID=71249 ]			Atropaldehyde	+	132.0593	1.572	19.23	C16592	(133.0674, 1684.29)(282.1571, 1093.04)	FindByMolecularFeature	C9 H8 O	3
Avermectin A1a monosaccharide	Avermectin A1a monosaccharide [ C42 H62 O11, overall=65.67, db=65.67, CAS ID=, KEGG ID=C11982, METLIN ID=63693 ]			Avermectin A1a monosaccharide	+	759.4543	7.868	65.67	C11982	(760.4616, 3004.18)(761.4651, 1150.04)	FindByMolecularFeature	C42 H62 O11	3
Avermectin A1a monosaccharide +7.483	Avermectin A1a monosaccharide [ C42 H62 O11, overall=63.60, db=63.60, CAS ID=, KEGG ID=C11982, METLIN ID=63693 ]			Avermectin A1a monosaccharide +7.483	+	759.4538	7.483	63.6	C11982	(760.4611, 6935.38)(761.4658, 2501.87)	FindByMolecularFeature	C42 H62 O11	3
Azafenidin +1.0753332	Azafenidin [ C15 H13 Cl2 N3 O2, overall=35.97, db=35.97, CAS ID=68049-83-2, KEGG ID=C10895, METLIN ID=68665 ]	68049-83-2		Azafenidin +1.0753332	+	354.0624	1.0753332	35.97	C10895	(355.0697, 9766.06)(356.0711, 3378.76)	FindByMolecularFeature	C15 H13 Cl2 N3 O2	3
B-(4-Fluorobenzoyl)propionic acid	B-(4-Fluorobenzoyl)propionic acid [ C10 H9 F O3, overall=66.21, db=66.21, CAS ID=366-77-8, METLIN ID=1287 ]	366-77-8		B-(4-Fluorobenzoyl)propionic acid	+	218.0361	6.2723336	66.21		(219.0434, 6118.72)(220.0445, 1198.11)	FindByMolecularFeature	C10 H9 F O3	3
bacteriohopane-32,33, 34-triol-35-carbamate	bacteriohopane-32,33, 34-triol-35-carbamate [ C36 H63 N O5, overall=62.05, db=62.05, Lipid ID=LMPR04000014, METLIN ID=53874 ]			bacteriohopane-32,33, 34-triol-35-carbamate	+	589.4735	1.0316666	62.05		(590.4808, 2783.1)(591.4848, 1275.43)(592.4761, 883.66)	FindByMolecularFeature	C36 H63 N O5	3		LMPR04000014
BAY-60-7550 +1.4426666	BAY-60-7550 [ C27 H32 N4 O4, overall=74.12, db=74.12, CAS ID=439083-90-6, METLIN ID=45308 ]	439083-90-6		BAY-60-7550 +1.4426666	+	476.2415	1.4426666	74.12		(477.2473, 1248.19)(494.2751, 2935.49)(495.2779, 1040.73)	FindByMolecularFeature	C27 H32 N4 O4	3
b-D-Galactopyranose	b-D-Galactopyranose [ C6 H12 O6, overall=64.21, db=64.21, CAS ID=7296-64-2, KEGG ID=C17207, METLIN ID=3754 ]	7296-64-2		b-D-Galactopyranose	+	197.0902	2.9133332	64.21	C17207	(198.0977, 8164.09)(199.103, 1354.82)(200.0946, 639.55)	FindByMolecularFeature	C6 H12 O6	3
Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide	Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide [ C20 H14 O3, overall=62.79, db=62.79, CAS ID=55097-80-8, KEGG ID=C14853, METLIN ID=70358 ]	55097-80-8		Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide	+	324.0746	1.4513334	62.79	C14853	(325.0819, 3354.15)(326.0872, 1075.19)	FindByMolecularFeature	C20 H14 O3	3
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate	Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate [ C12 H16 O3, overall=63.31, db=63.31, KEGG ID=C04561, METLIN ID=66209 ]			Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate	+	208.111	1.644	63.31	C04561	(209.1183, 6536.69)(210.1206, 1395.03)(211.1077, 856.87)	FindByMolecularFeature	C12 H16 O3	3
Benzyloxyphenylisoserine Methylester +1.3226666	Benzyloxyphenylisoserine Methylester [ C17 H17 N O4, overall=65.10, db=65.10, CAS ID=32981-85-4, METLIN ID=73564 ]	32981-85-4		Benzyloxyphenylisoserine Methylester +1.3226666	+	299.1158	1.3226666	65.1		(300.1232, 2636.06)(301.1258, 864.78)(317.1506, 2238.81)	FindByMolecularFeature	C17 H17 N O4	3
Berbamunine	Berbamunine [ C36 H40 N2 O6, overall=61.20, db=61.20, CAS ID=485-18-7, KEGG ID=C05177, METLIN ID=64382 ]	485-18-7		Berbamunine	+	618.2688	1.4376665	61.2	C05177	(619.276, 1652.06)(620.2818, 869.23)(621.2906, 570.52)	FindByMolecularFeature	C36 H40 N2 O6	3
Bestatin +2.7370002	Bestatin [ C16 H24 N2 O4, overall=67.65, db=67.65, CAS ID=65391-42-6, KEGG ID=C00732, METLIN ID=63060 ]	65391-42-6		Bestatin +2.7370002	+	308.1742	2.7370002	67.65	C00732	(331.1638, 1093.83)(309.181, 3189.1)(310.1847, 961.36)	FindByMolecularFeature	C16 H24 N2 O4	3
Bethanechol	Bethanechol [ C7 H17 N2 O2, overall=88.00, db=88.00, CAS ID=674-38-4, KEGG ID=C06850, METLIN ID=1323 ]	674-38-4		Bethanechol	+	160.1213	6.647667	88	C06850	(183.1117, 3254.73)(184.1085, 672.81)(161.1284, 20671.17)(162.13, 2907.92)(163.1304, 336.03)	FindByMolecularFeature	C7 H17 N2 O2	3
Bisacodyl diphenol +1.2273333	Bisacodyl diphenol [ C18 H15 N O2, overall=98.59, db=98.59, CAS ID=603-41-8, METLIN ID=1349 ]	603-41-8		Bisacodyl diphenol +1.2273333	+	277.1108	1.2273333	98.59		(278.1181, 71902.38)(279.1211, 14831.0)(280.1244, 2372.21)(295.1461, 2528.55)	FindByMolecularFeature	C18 H15 N O2	3
Butralin	Butralin [ C14 H21 N3 O4, overall=62.43, db=62.43, CAS ID=33629-47-9, KEGG ID=C18582, METLIN ID=72384 ]	33629-47-9		Butralin	+	295.1552	5.9956665	62.43	C18582	(613.2991, 7533.19)(614.3022, 2872.38)(615.307, 883.03)(296.1632, 5145.88)(297.1714, 1565.74)	FindByMolecularFeature	C14 H21 N3 O4	3
C10 H13 N8	[ C10 H13 N8, overall=32.70, db=0.00, mfg=65.41 ]			C10 H13 N8	+	245.1278	1.791	32.7		(268.1194, 834.48)(246.1346, 3495.31)(247.1334, 776.33)	FindByMolecularFeature	C10 H13 N8	3
C10 H23 Cl N O4	[ C10 H23 Cl N O4, overall=23.74, db=0.00, mfg=47.49 ]			C10 H23 Cl N O4	+	256.132	1.1279999	23.74		(257.1388, 1969.25)(258.1408, 727.32)(274.1652, 1823.25)	FindByMolecularFeature	C10 H23 Cl N O4	3
C10 H23 Cl N2	[ C10 H23 Cl N2, overall=23.45, db=0.00, mfg=46.91 ]			C10 H23 Cl N2	+	206.1534	1.3519999	23.45		(229.1446, 1844.45)(207.1599, 3002.02)(208.1672, 834.85)(209.1542, 1078.66)	FindByMolecularFeature	C10 H23 Cl N2	3
C11 H2 Cl3 N4 O2 S5	[ C11 H2 Cl3 N4 O2 S5, overall=23.74, db=0.00, mfg=47.47 ]			C11 H2 Cl3 N4 O2 S5	+	486.7842	6.2163334	23.74		(487.7917, 1791.34)(974.5733, 1158.82)	FindByMolecularFeature	C11 H2 Cl3 N4 O2 S5	3
C11 H22 N2 O2	[ C11 H22 N2 O2, overall=42.77, db=0.00, mfg=85.55 ]			C11 H22 N2 O2	+	214.1684	1.8536667	42.77		(215.1756, 12418.24)(216.1782, 1877.67)	FindByMolecularFeature	C11 H22 N2 O2	3
C11 H22 N4 +9.146667	[ C11 H22 N4, overall=42.41, db=0.00, mfg=84.81 ]			C11 H22 N4 +9.146667	+	210.1847	9.146667	42.41		(211.1921, 5428.97)(212.1952, 874.39)	FindByMolecularFeature	C11 H22 N4	3
C11 H22 O S	[ C11 H22 O S, overall=30.56, db=0.00, mfg=61.12 ]			C11 H22 O S	+	202.1393	1.2926667	30.56		(203.1466, 3029.29)(204.1492, 854.62)	FindByMolecularFeature	C11 H22 O S	3
C12 H16 N6	[ C12 H16 N6, overall=34.61, db=0.00, mfg=69.22 ]			C12 H16 N6	+	244.1429	3.7276669	34.61		(267.1316, 1298.62)(245.1503, 4119.53)(246.1553, 950.65)	FindByMolecularFeature	C12 H16 N6	3
C12 H23 N O S	[ C12 H23 N O S, overall=45.25, db=0.00, mfg=90.51 ]			C12 H23 N O S	+	229.151	8.218333	45.25		(230.1582, 21589.73)(231.1605, 2771.22)(232.1614, 865.56)	FindByMolecularFeature	C12 H23 N O S	3
C12 H27 N3 O	[ C12 H27 N3 O, overall=43.50, db=0.00, mfg=87.00 ]			C12 H27 N3 O	+	229.2155	8.249333	43.5		(230.2227, 16467.21)(231.2261, 2481.32)	FindByMolecularFeature	C12 H27 N3 O	3
C13 H30 N3 O3	[ C13 H30 N3 O3, overall=31.88, db=0.00, mfg=63.77 ]			C13 H30 N3 O3	+	276.2282	1.1863333	31.88		(277.2358, 3456.61)(278.2392, 1671.68)(279.232, 1518.56)(294.2619, 3975.66)(295.2664, 1122.81)	FindByMolecularFeature	C13 H30 N3 O3	3
C14 H28 Cl N3 +1.1156666	[ C14 H28 Cl N3, overall=23.79, db=0.00, mfg=47.58 ]			C14 H28 Cl N3 +1.1156666	+	273.1963	1.1156666	23.79		(274.2019, 2435.62)(275.2029, 1197.71)(291.2309, 2157.04)(547.4012, 1220.66)	FindByMolecularFeature	C14 H28 Cl N3	3
C14 H30 O S2	[ C14 H30 O S2, overall=23.81, db=0.00, mfg=47.62 ]			C14 H30 O S2	+	278.1742	1.1793333	23.81		(279.1811, 2902.76)(296.2094, 2991.18)(297.2073, 1143.24)	FindByMolecularFeature	C14 H30 O S2	3
C15 H33 N18 O2	[ C15 H33 N18 O2, overall=40.49, db=0.00, mfg=80.98 ]			C15 H33 N18 O2	+	497.3033	7.7496667	40.49		(498.3103, 3625.05)(499.3098, 832.69)	FindByMolecularFeature	C15 H33 N18 O2	3
C15 H37 N4 O2	[ C15 H37 N4 O2, overall=45.17, db=0.00, mfg=90.34 ]			C15 H37 N4 O2	+	305.293	1.12	45.17		(306.3005, 24862.56)(307.3034, 4844.99)(308.3016, 979.49)	FindByMolecularFeature	C15 H37 N4 O2	3
C15 H6 N5 O16 +7.550667	[ C15 H6 N5 O16, overall=34.51, db=0.00, mfg=69.01 ]			C15 H6 N5 O16 +7.550667	+	511.9784	7.550667	34.51		(512.9857, 12591.5)(513.9887, 1977.07)	FindByMolecularFeature	C15 H6 N5 O16	3
C16 H39 N11 O7 +7.501333	[ C16 H39 N11 O7, overall=35.90, db=0.00, mfg=71.80 ]			C16 H39 N11 O7 +7.501333	+	497.3035	7.501333	35.9		(498.3106, 13639.34)(499.3134, 1755.08)	FindByMolecularFeature	C16 H39 N11 O7	3
C16:4n-4,8,10,14	C16:4n-4,8,10,14 [ C16 H24 O2, overall=72.28, db=72.28, Lipid ID=LMFA01030280, METLIN ID=73954 ]			C16:4n-4,8,10,14	+	248.1774	1.3186667	72.28		(249.1847, 6880.11)(250.1858, 1600.6)(497.3471, 1197.03)	FindByMolecularFeature	C16 H24 O2	3		LMFA01030280
C17 H21 Cl N4	[ C17 H21 Cl N4, overall=35.24, db=0.00, mfg=70.48 ]			C17 H21 Cl N4	+	316.1419	1.6933333	35.24		(317.1492, 1585.44)(633.2912, 3144.16)(634.2944, 1672.76)(635.3057, 2585.4)(636.3006, 1045.56)	FindByMolecularFeature	C17 H21 Cl N4	3
C17 H21 Cl N4 +1.4906667	[ C17 H21 Cl N4, overall=34.84, db=0.00, mfg=69.68 ]			C17 H21 Cl N4 +1.4906667	+	316.1423	1.4906667	34.84		(317.1501, 1931.84)(633.2945, 2489.98)(634.2961, 1162.54)(635.3053, 1639.97)(636.3008, 426.91)	FindByMolecularFeature	C17 H21 Cl N4	3
C17 H31 N15	[ C17 H31 N15, overall=42.19, db=0.00, mfg=84.38 ]			C17 H31 N15	+	445.2883	3.5860002	42.19		(446.2956, 4164.65)(447.2987, 1012.6)	FindByMolecularFeature	C17 H31 N15	3
C17 Sphinganine +4.14	C17 Sphinganine [ C17 H37 N O2, overall=86.27, db=86.27, Lipid ID=LMSP01040003, METLIN ID=41558 ]			C17 Sphinganine +4.14	+	287.2823	4.14	86.27		(288.2896, 5297.15)(289.293, 1046.06)	FindByMolecularFeature	C17 H37 N O2	3		LMSP01040003
C18 H22 N7	[ C18 H22 N7, overall=23.80, db=0.00, mfg=47.59 ]			C18 H22 N7	+	336.19	1.1766666	23.8		(337.1973, 2360.27)(338.1973, 1159.76)(354.2274, 1769.67)	FindByMolecularFeature	C18 H22 N7	3
C18 H26 N	[ C18 H26 N, overall=26.30, db=0.00, mfg=52.61 ]			C18 H26 N	+	256.2095	1.19	26.3		(279.1902, 1291.32)(257.2168, 2318.52)(258.2127, 770.74)	FindByMolecularFeature	C18 H26 N	3
C18 H39 N11	[ C18 H39 N11, overall=41.38, db=0.00, mfg=82.77 ]			C18 H39 N11	+	409.3386	1.2583333	41.38		(410.3459, 3748.47)(411.3497, 961.16)	FindByMolecularFeature	C18 H39 N11	3
C18 H41 Cl N3 O2 S	[ C18 H41 Cl N3 O2 S, overall=23.81, db=0.00, mfg=47.62 ]			C18 H41 Cl N3 O2 S	+	398.2652	1.3130001	23.81		(421.2551, 2505.34)(819.5178, 651.54)(399.2716, 1978.6)(400.2739, 996.79)(416.2946, 912.72)	FindByMolecularFeature	C18 H41 Cl N3 O2 S	3
C18 H49 N11 O9 S	[ C18 H49 N11 O9 S, overall=34.59, db=0.00, mfg=69.17 ]			C18 H49 N11 O9 S	+	595.3441	5.962333	34.59		(618.3319, 640.06)(596.3511, 10232.54)(597.3545, 1982.87)	FindByMolecularFeature	C18 H49 N11 O9 S	3
C18 N O19 S +5.705667	[ C18 N O19 S, overall=27.06, db=0.00, mfg=54.13 ]			C18 N O19 S +5.705667	+	565.881	5.705667	27.06		(566.8883, 13612.61)(567.8916, 1517.69)	FindByMolecularFeature	C18 N O19 S	3
C19 H22 N S	[ C19 H22 N S, overall=34.34, db=0.00, mfg=68.67 ]			C19 H22 N S	+	296.1476	3.0856667	34.34		(319.137, 2797.85)(320.1397, 822.25)(297.1552, 3162.9)(314.1781, 674.36)	FindByMolecularFeature	C19 H22 N S	3
C19 H33 N5	[ C19 H33 N5, overall=35.67, db=0.00, mfg=71.34 ]			C19 H33 N5	+	331.2723	1.234	35.67		(354.2578, 826.51)(332.2796, 4200.86)(333.2828, 1285.22)	FindByMolecularFeature	C19 H33 N5	3
C19 H37 N5 O	[ C19 H37 N5 O, overall=31.51, db=0.00, mfg=63.02 ]			C19 H37 N5 O	+	351.2994	1.2323333	31.51		(352.3067, 2986.41)(353.3107, 1157.72)	FindByMolecularFeature	C19 H37 N5 O	3
C19 H48 N16 O8 +7.1653333	[ C19 H48 N16 O8, overall=46.99, db=0.00, mfg=93.97 ]			C19 H48 N16 O8 +7.1653333	+	628.3826	7.1653333	46.99		(629.3897, 12140.34)(630.3941, 3096.66)(631.3968, 629.87)	FindByMolecularFeature	C19 H48 N16 O8	3
C20 H35 N19 O6	[ C20 H35 N19 O6, overall=38.29, db=0.00, mfg=76.58 ]			C20 H35 N19 O6	+	637.3015	1.0999999	38.29		(638.3087, 1415.26)(655.3353, 3787.42)(656.3401, 1046.31)	FindByMolecularFeature	C20 H35 N19 O6	3
C20 H39 N18 O	[ C20 H39 N18 O, overall=40.53, db=0.00, mfg=81.07 ]			C20 H39 N18 O	+	547.3569	3.8423336	40.53		(548.3631, 3017.79)(549.3665, 831.78)	FindByMolecularFeature	C20 H39 N18 O	3
C20 H41 N8 O	[ C20 H41 N8 O, overall=41.45, db=0.00, mfg=82.91 ]			C20 H41 N8 O	+	409.3409	1.2636666	41.45		(410.3481, 10302.92)(411.3512, 2758.17)	FindByMolecularFeature	C20 H41 N8 O	3
C20 H42 N13 O S	[ C20 H42 N13 O S, overall=23.81, db=0.00, mfg=47.62 ]			C20 H42 N13 O S	+	512.336	1.4493333	23.81		(535.3248, 1193.21)(513.3437, 2244.98)(514.3591, 1146.03)(515.3593, 929.96)(530.3677, 1187.63)	FindByMolecularFeature	C20 H42 N13 O S	3
C20 H48 N9 S4	[ C20 H48 N9 S4, overall=23.81, db=0.00, mfg=47.62 ]			C20 H48 N9 S4	+	542.2929	4.2426667	23.81		(565.2808, 1152.06)(543.301, 1996.74)	FindByMolecularFeature	C20 H48 N9 S4	3
C21 H43 N8 O2	[ C21 H43 N8 O2, overall=41.55, db=0.00, mfg=83.10 ]			C21 H43 N8 O2	+	439.3508	1.4369999	41.55		(440.358, 5723.11)(441.3609, 1309.49)	FindByMolecularFeature	C21 H43 N8 O2	3
C21 N O21 S +5.6713333	[ C21 N O21 S, overall=38.34, db=0.00, mfg=76.69 ]			C21 N O21 S +5.6713333	+	633.8682	5.6713333	38.34		(634.8754, 13007.73)(635.8792, 1455.11)(636.8801, 672.77)	FindByMolecularFeature	C21 N O21 S	3
C22 H25 Cl N4 O19 S	[ C22 H25 Cl N4 O19 S, overall=36.04, db=0.00, mfg=72.08 ]			C22 H25 Cl N4 O19 S	+	716.0537	2.331	36.04		(717.0607, 4884.95)(718.0598, 634.88)(719.0583, 1922.54)	FindByMolecularFeature	C22 H25 Cl N4 O19 S	3
C22 H37 N7 O	[ C22 H37 N7 O, overall=35.65, db=0.00, mfg=71.30 ]			C22 H37 N7 O	+	415.3025	1.134	35.65		(416.3098, 2785.08)(417.3254, 843.38)	FindByMolecularFeature	C22 H37 N7 O	3
C22 H42 O12	[ C22 H42 O12, overall=49.80, db=0.00, mfg=99.61 ]			C22 H42 O12	+	498.2675	3.7580001	49.8		(499.2759, 1231.08)(516.3013, 31763.34)(517.3047, 7935.3)(518.3073, 1945.55)	FindByMolecularFeature	C22 H42 O12	3
C22 H42 O12 +3.8806667	[ C22 H42 O12, overall=49.43, db=0.00, mfg=98.87 ]			C22 H42 O12 +3.8806667	+	498.2676	3.8806667	49.43		(521.2581, 716.27)(499.2742, 2381.98)(500.2769, 846.97)(516.3014, 69454.87)(517.3046, 15931.94)(518.3065, 3956.48)	FindByMolecularFeature	C22 H42 O12	3
C24 H49 N8 O3	[ C24 H49 N8 O3, overall=38.44, db=0.00, mfg=76.88 ]			C24 H49 N8 O3	+	497.392	1.5526667	38.44		(498.3993, 4165.84)(499.4037, 1380.56)	FindByMolecularFeature	C24 H49 N8 O3	3
C25 H47 N O4	[ C25 H47 N O4, overall=32.91, db=0.00, mfg=65.81 ]			C25 H47 N O4	+	425.3502	1.23	32.91		(426.3579, 2983.28)(427.3609, 1258.02)	FindByMolecularFeature	C25 H47 N O4	3
C25 H48 Cl2 O3	[ C25 H48 Cl2 O3, overall=28.89, db=0.00, mfg=57.79 ]			C25 H48 Cl2 O3	+	466.2955	1.3513333	28.89		(489.284, 1060.5)(467.302, 1851.47)(484.3284, 1301.81)(485.3269, 489.27)(486.3397, 818.87)	FindByMolecularFeature	C25 H48 Cl2 O3	3
C27 H42 N10 O	[ C27 H42 N10 O, overall=32.18, db=0.00, mfg=64.35 ]			C27 H42 N10 O	+	522.3547	1.3429999	32.18		(523.3616, 3060.08)(524.3643, 1518.74)(540.387, 1006.68)	FindByMolecularFeature	C27 H42 N10 O	3
C27 H44 N10 O2	[ C27 H44 N10 O2, overall=34.67, db=0.00, mfg=69.35 ]			C27 H44 N10 O2	+	540.3674	1.367	34.67		(563.3575, 921.57)(541.3747, 1992.47)(542.3703, 677.38)(558.4068, 886.61)	FindByMolecularFeature	C27 H44 N10 O2	3
C28 H36 N27 O7	[ C28 H36 N27 O7, overall=35.56, db=0.00, mfg=71.11 ]			C28 H36 N27 O7	+	862.3285	6.546	35.56		(863.3358, 3049.9)(864.339, 1288.97)	FindByMolecularFeature	C28 H36 N27 O7	3
C29 H51 N5 O2	[ C29 H51 N5 O2, overall=35.53, db=0.00, mfg=71.07 ]			C29 H51 N5 O2	+	501.4032	1.047	35.53		(502.4104, 3850.99)(503.4156, 1522.11)	FindByMolecularFeature	C29 H51 N5 O2	3
C29 H6 N5 O21	[ C29 H6 N5 O21, overall=34.85, db=0.00, mfg=69.71 ]			C29 H6 N5 O21	+	759.9556	7.765667	34.85		(760.9628, 2902.12)(761.9677, 952.05)	FindByMolecularFeature	C29 H6 N5 O21	3
C29 H8 N6 O10	[ C29 H8 N6 O10, overall=35.70, db=0.00, mfg=71.40 ]			C29 H8 N6 O10	+	600.0311	8.140333	35.7		(601.0384, 6966.98)(602.0416, 1788.0)	FindByMolecularFeature	C29 H8 N6 O10	3
C30 H59 N O3 S2	[ C30 H59 N O3 S2, overall=41.36, db=0.00, mfg=82.71 ]			C30 H59 N O3 S2	+	545.3923	1.4486666	41.36		(546.3996, 6545.51)(547.4033, 1798.13)(548.4059, 1108.69)	FindByMolecularFeature	C30 H59 N O3 S2	3
C31 H36 N14 O2	[ C31 H36 N14 O2, overall=38.06, db=0.00, mfg=76.13 ]			C31 H36 N14 O2	+	636.3154	6.4966674	38.06		(637.3217, 2453.55)(638.3248, 940.75)	FindByMolecularFeature	C31 H36 N14 O2	3
C32 H16 N11 O8	[ C32 H16 N11 O8, overall=34.45, db=0.00, mfg=68.91 ]			C32 H16 N11 O8	+	682.1188	2.9123335	34.45		(683.1261, 2777.26)(684.1263, 1153.91)	FindByMolecularFeature	C32 H16 N11 O8	3
C32 H65 N24 O2	[ C32 H65 N24 O2, overall=33.72, db=0.00, mfg=67.45 ]			C32 H65 N24 O2	+	817.5726	1.122	33.72		(818.5799, 2472.29)(819.5818, 1278.56)	FindByMolecularFeature	C32 H65 N24 O2	3
C32 H67 N O17 +7.7606664	[ C32 H67 N O17, overall=32.72, db=0.00, mfg=65.43 ]			C32 H67 N O17 +7.7606664	+	737.4408	7.7606664	32.72		(738.4482, 5857.62)(739.4533, 1417.01)	FindByMolecularFeature	C32 H67 N O17	3
C33 H17 N11 O3	[ C33 H17 N11 O3, overall=36.35, db=0.00, mfg=72.71 ]			C33 H17 N11 O3	+	615.152	1.0266666	36.35		(616.1593, 3325.75)(617.1599, 1294.62)	FindByMolecularFeature	C33 H17 N11 O3	3
C33 N2 O29 S	[ C33 N2 O29 S, overall=29.06, db=0.00, mfg=58.13 ]			C33 N2 O29 S	+	919.8326	5.6966667	29.06		(920.8399, 2822.76)(921.8409, 716.47)	FindByMolecularFeature	C33 N2 O29 S	3
C34 H42 N11 O3	[ C34 H42 N11 O3, overall=37.17, db=0.00, mfg=74.34 ]			C34 H42 N11 O3	+	652.3467	3.707	37.17		(653.354, 12448.88)(654.3571, 4828.99)	FindByMolecularFeature	C34 H42 N11 O3	3
C34 H57 N2 O3	[ C34 H57 N2 O3, overall=28.13, db=0.00, mfg=56.25 ]			C34 H57 N2 O3	+	541.4321	1.0613333	28.13		(542.4421, 2397.49)(543.4464, 1371.06)	FindByMolecularFeature	C34 H57 N2 O3	3
C35 H29 N24 O9	[ C35 H29 N24 O9, overall=24.98, db=0.00, mfg=49.96 ]			C35 H29 N24 O9	+	929.2556	1.013	24.98		(930.2629, 3689.61)(931.2518, 1594.01)	FindByMolecularFeature	C35 H29 N24 O9	3
C36 H18 N3 O3	[ C36 H18 N3 O3, overall=34.85, db=0.00, mfg=69.71 ]			C36 H18 N3 O3	+	540.1363	1.036	34.85		(541.1436, 3357.11)(542.144, 1312.93)(558.1743, 4369.31)(559.1687, 1246.05)	FindByMolecularFeature	C36 H18 N3 O3	3
C36 H27 S2	[ C36 H27 S2, overall=38.48, db=0.00, mfg=76.97 ]			C36 H27 S2	+	523.1561	1.048	38.48		(524.1634, 2921.66)(525.1636, 1418.12)(526.1639, 892.5)	FindByMolecularFeature	C36 H27 S2	3
C37 H31 N15 S3	[ C37 H31 N15 S3, overall=26.17, db=0.00, mfg=52.33 ]			C37 H31 N15 S3	+	781.206	1.0330001	26.17		(782.2133, 3471.62)(783.1993, 1752.94)(784.2057, 741.27)	FindByMolecularFeature	C37 H31 N15 S3	3
C37 H33 N7 S3	[ C37 H33 N7 S3, overall=37.33, db=0.00, mfg=74.65 ]			C37 H33 N7 S3	+	671.1967	1.0313333	37.33		(672.204, 2952.45)(673.2046, 1903.27)(674.2034, 1173.57)	FindByMolecularFeature	C37 H33 N7 S3	3
C37 H41 N3 O2 +5.011	[ C37 H41 N3 O2, overall=36.97, db=0.00, mfg=73.93 ]			C37 H41 N3 O2 +5.011	+	559.3193	5.011	36.97		(560.3269, 2130.05)(561.3313, 825.35)	FindByMolecularFeature	C37 H41 N3 O2	3
C38 H45 O2	[ C38 H45 O2, overall=35.84, db=0.00, mfg=71.68 ]			C38 H45 O2	+	533.341	4.2006664	35.84		(534.3482, 2733.44)(535.3536, 1014.62)	FindByMolecularFeature	C38 H45 O2	3
C38 H75 N O4	[ C38 H75 N O4, overall=48.90, db=0.00, mfg=97.79 ]			C38 H75 N O4	+	609.5695	3.6876667	48.9		(610.5768, 13462.33)(611.5803, 5305.92)(612.5829, 1493.18)	FindByMolecularFeature	C38 H75 N O4	3
C38 H75 N4 O3	[ C38 H75 N4 O3, overall=35.33, db=0.00, mfg=70.66 ]			C38 H75 N4 O3	+	635.5845	3.6676667	35.33		(636.5918, 10320.71)(637.5955, 4626.59)	FindByMolecularFeature	C38 H75 N4 O3	3
C39 H14 N3 O28	[ C39 H14 N3 O28, overall=31.31, db=0.00, mfg=62.62 ]			C39 H14 N3 O28	+	971.976	1.0373334	31.31		(972.9833, 12284.37)(973.987, 3544.71)	FindByMolecularFeature	C39 H14 N3 O28	3
C39 H47 N O7	[ C39 H47 N O7, overall=47.23, db=0.00, mfg=94.45 ]			C39 H47 N O7	+	641.3352	1.0553333	47.23		(642.3422, 8951.51)(643.3465, 3963.95)(644.352, 1200.06)	FindByMolecularFeature	C39 H47 N O7	3
C39 H63 Cl S4	[ C39 H63 Cl S4, overall=18.68, db=0.00, mfg=37.35 ]			C39 H63 Cl S4	+	694.353	1.0386667	18.68		(695.3603, 1834.87)(696.3545, 1029.19)(697.3424, 1117.56)	FindByMolecularFeature	C39 H63 Cl S4	3
C40 H54 N O3 S	[ C40 H54 N O3 S, overall=47.04, db=0.00, mfg=94.08 ]			C40 H54 N O3 S	+	628.3831	1.4316667	47.04		(629.39, 6321.33)(630.3941, 2835.79)(631.396, 982.82)	FindByMolecularFeature	C40 H54 N O3 S	3
C40 H55	[ C40 H55, overall=48.71, db=0.00, mfg=97.41 ]			C40 H55	+	535.4298	1.0136666	48.71		(536.4371, 12720.47)(537.4406, 5122.31)(538.4439, 1324.91)	FindByMolecularFeature	C40 H55	3
C43 H80 N9	[ C43 H80 N9, overall=33.62, db=0.00, mfg=67.25 ]			C43 H80 N9	+	722.6531	1.1393334	33.62		(723.6604, 5116.36)(724.665, 2564.54)	FindByMolecularFeature	C43 H80 N9	3
C43 H83 N2 O4 S	[ C43 H83 N2 O4 S, overall=23.81, db=0.00, mfg=47.62 ]			C43 H83 N2 O4 S	+	723.6054	1.1083333	23.81		(746.5966, 5444.98)(724.6121, 1122.02)	FindByMolecularFeature	C43 H83 N2 O4 S	3
C45 H38 N2 O2	[ C45 H38 N2 O2, overall=31.38, db=0.00, mfg=62.77 ]			C45 H38 N2 O2	+	638.2949	1.659	31.38		(639.3022, 2569.87)(640.3044, 1436.73)	FindByMolecularFeature	C45 H38 N2 O2	3
C45 H57 O6	[ C45 H57 O6, overall=47.99, db=0.00, mfg=95.97 ]			C45 H57 O6	+	693.4148	7.5393333	47.99		(694.422, 5603.39)(695.4259, 2488.13)(696.4298, 773.96)	FindByMolecularFeature	C45 H57 O6	3
C53 H113 N4 O3 S3	[ C53 H113 N4 O3 S3, overall=32.37, db=0.00, mfg=64.75 ]			C53 H113 N4 O3 S3	+	949.7931	1.0699999	32.37		(950.8012, 1235.62)(951.8054, 824.15)(952.8157, 720.53)	FindByMolecularFeature	C53 H113 N4 O3 S3	3
C6 H11 N	[ C6 H11 N, overall=31.05, db=0.00, mfg=62.09 ]			C6 H11 N	+	97.0889	5.5866666	31.05		(98.0962, 6623.97)(99.0942, 899.03)(115.1229, 679.5)	FindByMolecularFeature	C6 H11 N	3
C7 H5 O S2	[ C7 H5 O S2, overall=43.79, db=0.00, mfg=87.58 ]			C7 H5 O S2	+	168.9786	5.4086666	43.79		(169.9859, 14857.37)(170.9888, 625.29)(171.9817, 707.02)	FindByMolecularFeature	C7 H5 O S2	3
C8 H20 N11	[ C8 H20 N11, overall=23.79, db=0.00, mfg=47.57 ]			C8 H20 N11	+	270.1894	1.1266667	23.79		(293.1763, 1123.45)(271.1977, 2120.27)(288.2165, 1548.99)	FindByMolecularFeature	C8 H20 N11	3
C9 H14 N4 O2	[ C9 H14 N4 O2, overall=23.28, db=0.00, mfg=46.56 ]			C9 H14 N4 O2	+	210.111	2.5609999	23.28		(233.1004, 3012.39)(211.1181, 3561.65)	FindByMolecularFeature	C9 H14 N4 O2	3
C9 H21 N	[ C9 H21 N, overall=36.81, db=0.00, mfg=73.62 ]			C9 H21 N	+	143.1672	4.254667	36.81		(144.1742, 4420.28)(145.1773, 790.51)	FindByMolecularFeature	C9 H21 N	3
C9 H21 N O7 +2.2936668	[ C9 H21 N O7, overall=48.69, db=0.00, mfg=97.37 ]			C9 H21 N O7 +2.2936668	+	255.1322	2.2936668	48.69		(256.1395, 24525.86)(257.1428, 2398.98)(258.1458, 908.81)	FindByMolecularFeature	C9 H21 N O7	3
Carboxynorspermidine	Carboxynorspermidine [ C7 H17 N3 O2, overall=75.86, db=75.86, CAS ID=, KEGG ID=C18174, METLIN ID=63486 ]			Carboxynorspermidine	+	175.1322	5.734667	75.86	C18174	(176.1394, 13574.33)(177.1412, 2271.41)(178.1345, 547.24)	FindByMolecularFeature	C7 H17 N3 O2	3
Cardiogenol C +1.1026667	Cardiogenol C [ C13 H16 N4 O2, overall=39.92, db=39.92, CAS ID=671225-39-1, METLIN ID=64802 ]	671225-39-1		Cardiogenol C +1.1026667	+	260.1269	1.1026667	39.92		(261.1355, 1860.2)(278.1597, 4008.21)	FindByMolecularFeature	C13 H16 N4 O2	3
Cer(t18:0/16:0)	Cer(t18:0/16:0) [ C34 H69 N O4, overall=72.34, db=72.34, Lipid ID=LMSP02030001, METLIN ID=53971 ]			Cer(t18:0/16:0)	+	555.5225	1.1926666	72.34		(556.5298, 3300.52)(557.5313, 1274.09)	FindByMolecularFeature	C34 H69 N O4	3		LMSP02030001
cholest-5,24-dien-3beta-ol 3-O-beta-D-glucopyranoside	cholest-5,24-dien-3beta-ol 3-O-beta-D-glucopyranoside [ C33 H54 O6, overall=71.67, db=71.67, Lipid ID=LMST01010348, METLIN ID=83949 ]			cholest-5,24-dien-3beta-ol 3-O-beta-D-glucopyranoside	+	546.3927	2.0876667	71.67		(547.4, 2307.09)(548.4023, 936.8)	FindByMolecularFeature	C33 H54 O6	3		LMST01010348
cholesteryl beta-D-glucoside	cholesteryl beta-D-glucoside [ C33 H56 O6, overall=74.35, db=74.35, Lipid ID=LMST01010173, KEGG ID=C03855, METLIN ID=57618 ]			cholesteryl beta-D-glucoside	+	548.4077	4.0550003	74.35	C03855	(549.415, 3356.92)(550.4192, 982.79)	FindByMolecularFeature	C33 H56 O6	3		LMST01010173
ciclopirox +6.3636665	ciclopirox [ C12 H17 N O2, overall=72.63, db=72.63, CAS ID=29342-05-0, METLIN ID=3961 ]	29342-05-0		ciclopirox +6.3636665	+	229.1068	6.3636665	72.63		(230.1142, 5519.62)(231.1221, 993.14)	FindByMolecularFeature	C12 H17 N O2	3
cis-1,2-Diphenylcyclobutane	cis-1,2-Diphenylcyclobutane [ C16 H16, overall=78.15, db=78.15, CAS ID=7694-30-6, KEGG ID=C14467, METLIN ID=70084 ]	7694-30-6		cis-1,2-Diphenylcyclobutane	+	230.1059	5.381334	78.15	C14467	(231.1132, 5065.97)(232.1178, 1027.63)	FindByMolecularFeature	C16 H16	3
cis-5-Tetradecenoylcarnitine	cis-5-Tetradecenoylcarnitine [ C21 H40 N O4, overall=46.55, db=46.55, CAS ID=835598-21-5, METLIN ID=6437, HMP ID=HMDB02014 ]	835598-21-5		cis-5-Tetradecenoylcarnitine	+	352.2616	1.1116667	46.55		(353.2686, 1709.52)(370.2958, 2590.28)	FindByMolecularFeature	C21 H40 N O4	3	HMDB02014
cis-Zeatin +2.6260002	cis-Zeatin [ C10 H13 N5 O, overall=81.56, db=81.56, CAS ID=, KEGG ID=C15545, METLIN ID=64074 ]			cis-Zeatin +2.6260002	+	219.1112	2.6260002	81.56	C15545	(220.1183, 6654.22)(221.1215, 1011.14)	FindByMolecularFeature	C10 H13 N5 O	3
Confertifolin	Confertifolin [ C15 H22 O2, overall=84.51, db=84.51, CAS ID=1811-23-0, KEGG ID=C09376, METLIN ID=67643 ]	1811-23-0		Confertifolin	+	234.1626	1.5743333	84.51	C09376	(235.1698, 12584.4)(236.1723, 2221.55)	FindByMolecularFeature	C15 H22 O2	3
Conhydrine +9.161666	Conhydrine [ C8 H17 N O, overall=87.74, db=87.74, CAS ID=495-20-5, KEGG ID=C19983, METLIN ID=73470 ]	495-20-5		Conhydrine +9.161666	+	160.1576	9.161666	87.74	C19983	(161.1649, 56672.52)(162.168, 5756.93)	FindByMolecularFeature	C8 H17 N O	3
Cordycepin	Cordycepin [ C10 H13 N5 O3, overall=67.06, db=67.06, CAS ID=73-03-0, KEGG ID=C08431, METLIN ID=66970 ]	73-03-0		Cordycepin	+	251.1027	3.2443333	67.06	C08431	(252.1094, 6697.45)(253.1145, 1155.71)(254.1065, 678.48)	FindByMolecularFeature	C10 H13 N5 O3	3
Crinasiadine	Crinasiadine [ C14 H9 N O3, overall=50.20, db=50.20, CAS ID=40141-86-4, KEGG ID=C10583, METLIN ID=68404 ]	40141-86-4		Crinasiadine	+	256.0836	2.7806666	50.2	C10583	(257.0909, 3216.94)(258.0984, 1495.68)	FindByMolecularFeature	C14 H9 N O3	3
Cys Asn Arg	Cys Asn Arg [ C13 H25 N7 O5 S, overall=72.12, db=72.12, METLIN ID=23540 ]			Cys Asn Arg	+	391.166	4.0916667	72.12		(392.1732, 13420.15)(393.1781, 3075.41)(394.1739, 1167.68)	FindByMolecularFeature	C13 H25 N7 O5 S	3
Dehydrojuvabione +1.2893333	Dehydrojuvabione [ C16 H24 O3, overall=32.61, db=32.61, CAS ID=16060-78-9, KEGG ID=C09657, METLIN ID=67865 ]	16060-78-9		Dehydrojuvabione +1.2893333	+	264.1747	1.2893333	32.61	C09657	(265.1819, 3122.06)(266.1897, 1137.9)(267.1686, 1689.55)(529.3509, 1164.3)	FindByMolecularFeature	C16 H24 O3	3
Desmethyldihydrocapsaicin	Desmethyldihydrocapsaicin [ C17 H27 N O3, overall=67.51, db=67.51, CAS ID=2444-46-4, METLIN ID=44179 ]	2444-46-4		Desmethyldihydrocapsaicin	+	310.226	1.7516667	67.51		(311.2327, 4558.93)(312.2413, 581.24)	FindByMolecularFeature	C17 H27 N O3	3
Desoxypeganine	Desoxypeganine [ C11 H12 N2, overall=62.68, db=62.68, CAS ID=495-59-0, KEGG ID=C10656, METLIN ID=44431 ]	495-59-0		Desoxypeganine	+	194.0808	1.4116665	62.68	C10656	(195.088, 8721.91)(196.0944, 1844.03)	FindByMolecularFeature	C11 H12 N2	3
DG(14:0/24:1(15Z)/0:0)	DG(14:0/24:1(15Z)/0:0) [ C41 H78 O5, overall=63.80, db=63.80, METLIN ID=58671, HMP ID=HMDB07036 ]			DG(14:0/24:1(15Z)/0:0)	+	667.6114	3.7316666	63.8		(668.6187, 5669.45)(669.6211, 3123.34)	FindByMolecularFeature	C41 H78 O5	3	HMDB07036
DG(17:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]	DG(17:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] [ C42 H72 O5, overall=60.93, db=60.93, Lipid ID=LMGL02010173, CAS ID=, METLIN ID=4515 ]			DG(17:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]	+	673.5637	1.0830001	60.93		(674.5709, 2331.91)(675.5725, 1507.05)(676.5852, 1592.62)	FindByMolecularFeature	C42 H72 O5	3		LMGL02010173
DG(17:1(9Z)/19:0/0:0)[iso2]	DG(17:1(9Z)/19:0/0:0)[iso2] [ C39 H74 O5, overall=96.09, db=96.09, Lipid ID=LMGL02010052, CAS ID=, METLIN ID=4358 ]			DG(17:1(9Z)/19:0/0:0)[iso2]	+	639.5807	3.7396667	96.09		(640.5876, 4431.94)(641.591, 2121.72)(642.5925, 584.03)	FindByMolecularFeature	C39 H74 O5	3		LMGL02010052
DG(18:4(6Z,9Z,12Z,15Z)/15:0/0:0)	DG(18:4(6Z,9Z,12Z,15Z)/15:0/0:0) [ C36 H62 O5, overall=44.43, db=44.43, METLIN ID=58868, HMP ID=HMDB07329 ]			DG(18:4(6Z,9Z,12Z,15Z)/15:0/0:0)	+	574.4603	1.095	44.43		(575.4677, 1339.93)(576.4686, 670.74)(577.4821, 1262.88)(592.4891, 1086.75)	FindByMolecularFeature	C36 H62 O5	3	HMDB07329
Dicyclohexylamine	Dicyclohexylamine [ C12 H23 N, overall=79.85, db=79.85, CAS ID=101-83-7, KEGG ID=C14686, METLIN ID=70260 ]	101-83-7		Dicyclohexylamine	+	181.183	4.253	79.85	C14686	(182.1902, 4680.18)(183.1932, 899.38)	FindByMolecularFeature	C12 H23 N	3
Di-demethylcitalopram	Di-demethylcitalopram [ C18 H17 F N2 O, overall=76.05, db=76.05, CAS ID=62498-69-5, KEGG ID=C16609, METLIN ID=1783 ]	62498-69-5		Di-demethylcitalopram	+	296.1325	4.3286667	76.05	C16609	(297.1396, 4306.73)(298.1441, 1154.6)	FindByMolecularFeature	C18 H17 F N2 O	3
Diethylene glycol +1.1946666	Diethylene glycol [ C4 H10 O3, overall=64.04, db=64.04, CAS ID=111-46-6, KEGG ID=C14689, METLIN ID=70263 ]	111-46-6		Diethylene glycol +1.1946666	+	106.0636	1.1946666	64.04	C14689	(107.0714, 24916.13)(108.0812, 1517.43)	FindByMolecularFeature	C4 H10 O3	3
Difenoxuron	Difenoxuron [ C16 H18 N2 O3, overall=56.62, db=56.62, CAS ID=14214-32-5, KEGG ID=C19076, METLIN ID=72824 ]	14214-32-5		Difenoxuron	+	286.1319	1.212	56.62	C19076	(287.1392, 8170.49)(288.1493, 2146.42)(304.1647, 878.5)	FindByMolecularFeature	C16 H18 N2 O3	3
Dihydroxycarteolol M2 +6.346333	Dihydroxycarteolol M2 [ C16 H24 N2 O5, overall=73.81, db=73.81, CAS ID=, METLIN ID=1556 ]			Dihydroxycarteolol M2 +6.346333	+	324.1683	6.346333	73.81		(325.1756, 7980.18)(326.1798, 2075.7)	FindByMolecularFeature	C16 H24 N2 O5	3
Diisopropyl sulfate	Diisopropyl sulfate [ C6 H14 O4 S, overall=40.83, db=40.83, CAS ID=2973-10-6, KEGG ID=C19230, METLIN ID=72953 ]	10/6/2973		Diisopropyl sulfate	+	199.0855	3.4283333	40.83	C19230	(200.0922, 3374.95)(201.101, 1120.05)	FindByMolecularFeature	C6 H14 O4 S	3
Dimethylaminoethyl reserpilinate +6.198667	Dimethylaminoethyl reserpilinate [ C26 H35 N3 O5, overall=75.67, db=75.67, CAS ID=3735-84-0, KEGG ID=C13441, METLIN ID=69577 ]	3735-84-0		Dimethylaminoethyl reserpilinate +6.198667	+	469.257	6.198667	75.67	C13441	(470.2643, 5073.89)(471.268, 1749.45)	FindByMolecularFeature	C26 H35 N3 O5	3
Dinocton 6	Dinocton 6 [ C16 H22 N2 O7, overall=71.12, db=71.12, CAS ID=32534-96-6, KEGG ID=C18922, METLIN ID=72683 ]	32534-96-6		Dinocton 6	+	354.1429	1.643	71.12	C18922	(377.1306, 823.15)(355.1501, 4283.78)(356.1573, 944.32)	FindByMolecularFeature	C16 H22 N2 O7	3
Di-n-propylphthalate	Di-n-propylphthalate [ C14 H18 O4, overall=53.61, db=53.61, CAS ID=131-16-8, KEGG ID=C14469, METLIN ID=70086 ]	131-16-8		Di-n-propylphthalate	+	250.1229	1.7136668	53.61	C14469	(273.1119, 7370.3)(274.1174, 1288.47)(251.1306, 9410.53)(252.1326, 1659.73)(268.1568, 17602.65)(269.1635, 2667.64)	FindByMolecularFeature	C14 H18 O4	3
Dioxacarb	Dioxacarb [ C11 H13 N O4, overall=57.00, db=57.00, CAS ID=6988-21-2, KEGG ID=C18953, METLIN ID=72713 ]	6988-21-2		Dioxacarb	+	223.0848	2.1093333	57	C18953	(246.0755, 694.48)(224.092, 4516.12)(225.0984, 1057.91)	FindByMolecularFeature	C11 H13 N O4	3
dodecanamide +3.885	dodecanamide [ C12 H25 N O, overall=83.08, db=83.08, Lipid ID=LMFA08010001, METLIN ID=75449 ]			dodecanamide +3.885	+	199.1938	3.885	83.08		(200.2011, 4917.15)(201.204, 863.34)	FindByMolecularFeature	C12 H25 N O	3		LMFA08010001
Dolichotheline	Dolichotheline [ C10 H17 N3 O, overall=97.14, db=97.14, CAS ID=23100-08-5, KEGG ID=C16696, METLIN ID=71289 ]	23100-08-5		Dolichotheline	+	195.1372	4.631333	97.14	C16696	(196.1445, 38735.51)(197.1477, 4503.98)(198.1495, 1328.74)	FindByMolecularFeature	C10 H17 N3 O	3
E-64c	E-64c [ C15 H26 N2 O5, overall=56.93, db=56.93, CAS ID=76684-89-4, METLIN ID=44982 ]	76684-89-4		E-64c	+	314.1835	6.522667	56.93		(315.1916, 2920.72)(316.1932, 1218.1)	FindByMolecularFeature	C15 H26 N2 O5	3
Elastin +6.5476665	Elastin [ C27 H48 N6 O6, overall=70.73, db=70.73, CAS ID=9007-58-3, KEGG ID=C00373, METLIN ID=65514 ]	9007-58-3		Elastin +6.5476665	+	574.3433	6.5476665	70.73	C00373	(575.3506, 4292.07)(576.3536, 1405.51)	FindByMolecularFeature	C27 H48 N6 O6	3
Enalaprilat	Enalaprilat [ C18 H24 N2 O5, overall=59.29, db=59.29, CAS ID=76420-72-9, KEGG ID=C11720, METLIN ID=2533 ]	76420-72-9		Enalaprilat	+	348.1692	6.158333	59.29	C11720	(349.1765, 2588.02)(350.1779, 983.58)	FindByMolecularFeature	C18 H24 N2 O5	3
Enicoflavine	Enicoflavine [ C10 H13 N O4, overall=85.22, db=85.22, CAS ID=56050-08-9, KEGG ID=C09946, METLIN ID=68033 ]	56050-08-9		Enicoflavine	+	211.0851	6.9646664	85.22	C09946	(212.0924, 5191.93)(213.0956, 570.06)(229.1189, 1295.25)	FindByMolecularFeature	C10 H13 N O4	3
ent-PGD2	ent-PGD2 [ C20 H32 O5, overall=34.36, db=34.36, Lipid ID=LMFA03110107, METLIN ID=75151 ]			ent-PGD2	+	352.225	1.328	34.36		(375.2152, 587.03)(353.2307, 3140.14)(354.2302, 1392.15)(370.2552, 1077.11)	FindByMolecularFeature	C20 H32 O5	3		LMFA03110107
epothilone D	epothilone D [ C27 H41 N O5 S, overall=62.89, db=62.89, Lipid ID=LMPK04000001, CAS ID=, KEGG ID=C12039, METLIN ID=4987 ]			epothilone D	+	513.253	1.111	62.89	C12039	(514.2603, 2289.79)(515.2622, 916.0)	FindByMolecularFeature	C27 H41 N O5 S	3		LMPK04000001
Erythrohydrobupropion	Erythrohydrobupropion [ C13 H20 Cl N O, overall=96.84, db=96.84, METLIN ID=62874, HMP ID=HMDB12227 ]			Erythrohydrobupropion	+	241.1238	3.896	96.84		(242.131, 25246.94)(243.1345, 4575.69)(244.1284, 8321.82)(245.1311, 1022.7)	FindByMolecularFeature	C13 H20 Cl N O	3	HMDB12227
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate +1.1263334	Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate [ C24 H30 O6, overall=83.40, db=83.40, KEGG ID=C15440, METLIN ID=70909 ]			Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate +1.1263334	+	431.2336	1.1263334	83.4	C15440	(432.2409, 72253.93)(433.2441, 19646.14)(434.2469, 3363.95)	FindByMolecularFeature	C24 H30 O6	3
Ethambutol	Ethambutol [ C10 H24 N2 O2, overall=87.37, db=87.37, CAS ID=74-55-5, KEGG ID=C06984, METLIN ID=2587 ]	74-55-5		Ethambutol	+	204.1839	8.765	87.37	C06984	(205.191, 13005.65)(206.1943, 1619.57)	FindByMolecularFeature	C10 H24 N2 O2	3
Ethosuximide	Ethosuximide [ C7 H11 N O2, overall=41.28, db=41.28, CAS ID=77-67-8, KEGG ID=C07505, METLIN ID=2595 ]	77-67-8		Ethosuximide	+	141.079	1.909	41.28	C07505	(142.0863, 7676.14)(143.0828, 2032.86)	FindByMolecularFeature	C7 H11 N O2	3
Ethyl 3-(N-butylacetamido)propionate +1.1513333	Ethyl 3-(N-butylacetamido)propionate [ C11 H21 N O3, overall=48.81, db=48.81, CAS ID=52304-36-6, KEGG ID=C18830, METLIN ID=72595 ]	52304-36-6		Ethyl 3-(N-butylacetamido)propionate +1.1513333	+	215.1531	1.1513333	48.81	C18830	(216.1605, 4246.26)(217.165, 1559.67)	FindByMolecularFeature	C11 H21 N O3	3
Formyldienolone	Formyldienolone [ C21 H28 O4, overall=50.40, db=50.40, Lipid ID=LMST02020026, METLIN ID=41845 ]			Formyldienolone	+	344.1969	1.124	50.4		(345.2051, 2533.0)(346.2134, 1164.67)	FindByMolecularFeature	C21 H28 O4	3		LMST02020026
Funtumine	Funtumine [ C21 H35 N O, overall=73.25, db=73.25, CAS ID=474-45-3, KEGG ID=C10806, METLIN ID=68594 ]	474-45-3		Funtumine	+	339.2522	3.9486666	73.25	C10806	(340.2595, 3604.83)(341.2617, 911.18)	FindByMolecularFeature	C21 H35 N O	3
Furathiocarb	Furathiocarb [ C18 H26 N2 O5 S, overall=67.20, db=67.20, CAS ID=65907-30-4, KEGG ID=C18650, METLIN ID=72436 ]	65907-30-4		Furathiocarb	+	382.1567	1.692	67.2	C18650	(405.1497, 1216.46)(383.1639, 3718.01)(384.1684, 967.13)	FindByMolecularFeature	C18 H26 N2 O5 S	3
Gabaculine +6.105	Gabaculine [ C7 H9 N O2, overall=50.14, db=50.14, CAS ID=87980-11-8, KEGG ID=C12110, METLIN ID=69310 ]	87980-11-8		Gabaculine +6.105	+	156.09	6.105	50.14	C12110	(157.0973, 6049.04)(158.0936, 1260.84)	FindByMolecularFeature	C7 H9 N O2	3
Gabaculine +6.4	Gabaculine [ C7 H9 N O2, overall=60.98, db=60.98, CAS ID=87980-11-8, KEGG ID=C12110, METLIN ID=69310 ]	87980-11-8		Gabaculine +6.4	+	161.0431	6.4	60.98	C12110	(162.0501, 7307.5)(163.0535, 732.52)	FindByMolecularFeature	C7 H9 N O2	3
Gemfibrozil, metabolite II	Gemfibrozil, metabolite II [ C15 H22 O3, overall=82.03, db=82.03, CAS ID=, METLIN ID=3025 ]			Gemfibrozil, metabolite II	+	272.1373	7.557667	82.03		(273.1451, 4708.4)(274.149, 854.16)	FindByMolecularFeature	C15 H22 O3	3
Gentamicin C1a +2.6593335	Gentamicin C1a [ C19 H39 N5 O7, overall=78.99, db=78.99, CAS ID=26098-04-4, KEGG ID=C00908, METLIN ID=3051 ]	26098-04-4		Gentamicin C1a +2.6593335	+	471.268	2.6593335	78.99	C00908	(472.2752, 3189.22)(473.2777, 820.52)	FindByMolecularFeature	C19 H39 N5 O7	3
Gly Leu Leu	Gly Leu Leu [ C14 H27 N3 O4, overall=47.06, db=47.06, METLIN ID=17793 ]			Gly Leu Leu	+	323.1839	6.7463326	47.06		(324.1918, 2050.17)(325.1856, 1175.9)	FindByMolecularFeature	C14 H27 N3 O4	3
Glycyl-L-leucine +7.643	Glycyl-L-leucine [ C8 H16 N2 O3, overall=97.32, db=97.32, CAS ID=869-19-2, KEGG ID=C02155, METLIN ID=5727, HMP ID=HMDB00759 ]	869-19-2		Glycyl-L-leucine +7.643	+	188.1163	7.643	97.32	C02155	(189.1235, 39087.62)(190.1264, 3758.08)(191.1352, 847.72)	FindByMolecularFeature	C8 H16 N2 O3	3	HMDB00759
Gossypetin 8-glucuronide +2.8433332	Gossypetin 8-glucuronide [ C21 H18 O14, overall=67.39, db=67.39, Lipid ID=LMPK12113199, METLIN ID=51611 ]			Gossypetin 8-glucuronide +2.8433332	+	494.0687	2.8433332	67.39		(495.0768, 4041.55)(496.0784, 1277.8)	FindByMolecularFeature	C21 H18 O14	3		LMPK12113199
Gramine	Gramine [ C11 H14 N2, overall=61.21, db=61.21, CAS ID=87-52-5, KEGG ID=C08304, METLIN ID=66897 ]	87-52-5		Gramine	+	196.0984	5.7606664	61.21	C08304	(197.1057, 5662.83)(198.11, 1106.06)(199.107, 1028.66)	FindByMolecularFeature	C11 H14 N2	3
HC Blue No.1	HC Blue No.1 [ C11 H17 N3 O4, overall=86.52, db=86.52, CAS ID=2784-94-3, KEGG ID=C19247, METLIN ID=72968 ]	2784-94-3		HC Blue No.1	+	255.1223	6.395	86.52	C19247	(256.1293, 10979.66)(257.1317, 1518.0)	FindByMolecularFeature	C11 H17 N3 O4	3
His Lys	His Lys [ C12 H21 N5 O3, overall=75.81, db=75.81, METLIN ID=23848 ]			His Lys	+	283.1634	1.449	75.81		(284.1707, 4922.68)(285.1734, 1025.17)	FindByMolecularFeature	C12 H21 N5 O3	3
His Lys +2.39	His Lys [ C12 H21 N5 O3, overall=82.33, db=82.33, METLIN ID=23848 ]			His Lys +2.39	+	283.1635	2.39	82.33		(284.1707, 9757.25)(285.1746, 1452.95)	FindByMolecularFeature	C12 H21 N5 O3	3
Hodgkinsine	Hodgkinsine [ C33 H38 N6, overall=62.96, db=62.96, CAS ID=18210-71-4, KEGG ID=C09211, METLIN ID=67520 ]	18210-71-4		Hodgkinsine	+	518.3174	6.6240005	62.96	C09211	(519.3246, 11103.4)(520.3287, 2823.16)	FindByMolecularFeature	C33 H38 N6	3
Homoanserine	Homoanserine [ C11 H18 N4 O3, overall=47.61, db=47.61, CAS ID=20314-38-9, METLIN ID=58302, HMP ID=HMDB05767 ]	20314-38-9		Homoanserine	+	254.1382	4.080667	47.61		(277.1281, 1797.31)(255.1452, 3664.39)	FindByMolecularFeature	C11 H18 N4 O3	3	HMDB05767
Hydroxyphenoxyethylaminohydroxypropanol +7.949333	Hydroxyphenoxyethylaminohydroxypropanol [ C11 H17 N O4, overall=97.10, db=97.10, CAS ID=114849-42-2, METLIN ID=1575 ]	114849-42-2		Hydroxyphenoxyethylaminohydroxypropanol +7.949333	+	244.1426	7.949333	97.1		(245.1499, 24864.35)(246.1533, 3835.07)(247.1568, 670.82)	FindByMolecularFeature	C11 H17 N O4	3
Hygromycin B	Hygromycin B [ C20 H37 N3 O13, overall=56.25, db=56.25, CAS ID=31282-04-9, KEGG ID=C01925, METLIN ID=65678 ]	31282-04-9		Hygromycin B	+	549.2161	1.6916666	56.25	C01925	(550.2234, 1975.61)(551.2255, 1099.26)	FindByMolecularFeature	C20 H37 N3 O13	3
Ile Phe	Ile Phe [ C15 H22 N2 O3, overall=84.90, db=84.90, METLIN ID=24033 ]			Ile Phe	+	278.1632	8.042666	84.9		(279.1701, 6264.78)(280.1734, 1223.24)	FindByMolecularFeature	C15 H22 N2 O3	3
Ile Val Asp	Ile Val Asp [ C15 H27 N3 O6, overall=54.21, db=54.21, METLIN ID=21663 ]			Ile Val Asp	+	345.1901	7.8036666	54.21		(346.1974, 2769.36)(347.1973, 965.11)	FindByMolecularFeature	C15 H27 N3 O6	3
iso-Debromo-laurinterol	iso-Debromo-laurinterol [ C15 H20 O, overall=69.73, db=69.73, METLIN ID=53401 ]			iso-Debromo-laurinterol	+	238.1339	6.9466667	69.73		(239.1406, 7256.59)(240.1422, 1791.84)	FindByMolecularFeature	C15 H20 O	3
Isofebrifugine	Isofebrifugine [ C16 H19 N3 O3, overall=71.80, db=71.80, CAS ID=32434-44-9, KEGG ID=C10698, METLIN ID=68505 ]	32434-44-9		Isofebrifugine	+	301.1421	8.572	71.8	C10698	(302.1494, 8631.09)(303.1531, 883.81)(603.2949, 1398.48)	FindByMolecularFeature	C16 H19 N3 O3	3
Isorhamnetin 3-glucosyl-(1-6)-galactoside-7-glucoside	Isorhamnetin 3-glucosyl-(1-6)-galactoside-7-glucoside [ C34 H42 O22, overall=43.38, db=43.38, Lipid ID=LMPK12112330, METLIN ID=50746 ]			Isorhamnetin 3-glucosyl-(1-6)-galactoside-7-glucoside	+	819.2461	1.0236665	43.38		(820.2534, 2763.43)(821.2504, 1598.77)(822.2409, 1342.0)	FindByMolecularFeature	C34 H42 O22	3		LMPK12112330
L-4-Hydroxy-3-methoxy-a-methylphenylalanine +6.270333	L-4-Hydroxy-3-methoxy-a-methylphenylalanine [ C11 H15 N O4, overall=83.66, db=83.66, CAS ID=6739-31-7, METLIN ID=1219 ]	6739-31-7		L-4-Hydroxy-3-methoxy-a-methylphenylalanine +6.270333	+	225.1006	6.270333	83.66		(226.1078, 16574.2)(227.1115, 2504.38)(243.1313, 593.82)	FindByMolecularFeature	C11 H15 N O4	3
Lanceotoxin A +1.8446666	Lanceotoxin A [ C32 H44 O12, overall=58.76, db=58.76, CAS ID=93771-82-5, KEGG ID=C08872, METLIN ID=67237 ]	93771-82-5		Lanceotoxin A +1.8446666	+	620.2843	1.8446666	58.76	C08872	(621.2912, 1298.16)(622.2952, 731.63)(623.3018, 1083.63)	FindByMolecularFeature	C32 H44 O12	3
Laudanosine	Laudanosine [ C21 H27 N O4, overall=82.50, db=82.50, CAS ID=2688-77-9, KEGG ID=C09558, METLIN ID=1154 ]	2688-77-9		Laudanosine	+	357.1944	1.0753334	82.5	C09558	(358.2017, 12765.09)(359.2044, 3238.6)	FindByMolecularFeature	C21 H27 N O4	3
Leu Ala +7.388334	Leu Ala [ C9 H18 N2 O3, overall=73.96, db=73.96, CAS ID=, METLIN ID=44685 ]			Leu Ala +7.388334	+	202.1319	7.388334	73.96		(203.1392, 10157.49)(204.1434, 1761.46)	FindByMolecularFeature	C9 H18 N2 O3	3
Levobunolol	Levobunolol [ C17 H25 N O3, overall=82.19, db=82.19, CAS ID=47141-42-4, KEGG ID=C07914, METLIN ID=934 ]	47141-42-4		Levobunolol	+	313.1644	1.841	82.19	C07914	(314.1716, 5521.26)(315.1758, 1030.32)	FindByMolecularFeature	C17 H25 N O3	3
L-Homotyrosine	L-Homotyrosine [ C10 H13 N O3, overall=74.75, db=74.75, KEGG ID=C18622, METLIN ID=72416 ]			L-Homotyrosine	+	195.0902	1.397	74.75	C18622	(196.0973, 6692.01)(197.1002, 1242.77)	FindByMolecularFeature	C10 H13 N O3	3
L-Homotyrosine +6.7163334	L-Homotyrosine [ C10 H13 N O3, overall=52.21, db=52.21, KEGG ID=C18622, METLIN ID=72416 ]			L-Homotyrosine +6.7163334	+	195.0902	6.7163334	52.21	C18622	(196.0972, 3426.12)(197.0955, 887.26)(213.1246, 2620.88)	FindByMolecularFeature	C10 H13 N O3	3
lithocholic acid sulfate +6.2339997	lithocholic acid sulfate [ C24 H40 O6 S, overall=61.76, db=61.76, Lipid ID=LMST05020015, CAS ID=34669-57-3, METLIN ID=210, HMP ID=HMDB00907 ]	34669-57-3		lithocholic acid sulfate +6.2339997	+	473.2832	6.2339997	61.76		(474.2905, 8571.11)(475.2935, 1846.8)	FindByMolecularFeature	C24 H40 O6 S	3	HMDB00907	LMST05020015
Lophophorine	Lophophorine [ C13 H17 N O3, overall=64.68, db=64.68, CAS ID=17627-78-0, KEGG ID=C09573, METLIN ID=67815 ]	17627-78-0		Lophophorine	+	235.1214	1.4506668	64.68	C09573	(236.1287, 5947.93)(237.132, 1638.73)	FindByMolecularFeature	C13 H17 N O3	3
Lycorine	Lycorine [ C16 H17 N O4, overall=75.29, db=75.29, CAS ID=476-28-8, METLIN ID=43822 ]	476-28-8		Lycorine	+	287.1159	6.852667	75.29		(288.1232, 5774.66)(289.1268, 1468.03)	FindByMolecularFeature	C16 H17 N O4	3
Madecassic Acid	Madecassic Acid [ C30 H48 O6, overall=56.93, db=56.93, CAS ID=18449-41-7, METLIN ID=43874 ]	18449-41-7		Madecassic Acid	+	504.3453	1.2613333	56.93		(505.3511, 2310.56)(506.3569, 1275.1)(522.3806, 842.9)	FindByMolecularFeature	C30 H48 O6	3
Makisterone A	Makisterone A [ C28 H46 O7, overall=61.04, db=61.04, CAS ID=20137-14-8, KEGG ID=C16874, METLIN ID=71399 ]	20137-14-8		Makisterone A	+	494.325	1.3223333	61.04	C16874	(517.3158, 1042.05)(495.332, 3985.79)(496.3351, 2072.7)	FindByMolecularFeature	C28 H46 O7	3
m-Aminophenol +4.968	m-Aminophenol [ C6 H7 N O, overall=55.40, db=55.40, CAS ID=591-27-5, KEGG ID=C05058, METLIN ID=66287 ]	591-27-5		m-Aminophenol +4.968	+	126.0795	4.968	55.4	C05058	(127.0868, 5696.93)(128.0843, 1033.8)	FindByMolecularFeature	C6 H7 N O	3
MeIQx	MeIQx [ C11 H11 N5, overall=76.16, db=76.16, CAS ID=77500-04-0, KEGG ID=C19255, METLIN ID=72975 ]	77500-04-0		MeIQx	+	230.1267	7.831333	76.16	C19255	(231.1342, 6567.31)(232.1395, 1110.6)	FindByMolecularFeature	C11 H11 N5	3
Mesobilirubinogen +1.4266667	Mesobilirubinogen [ C33 H44 N4 O6, overall=96.78, db=96.78, CAS ID=14684-37-8, KEGG ID=C05790, METLIN ID=58064, HMP ID=HMDB01898 ]	14684-37-8		Mesobilirubinogen +1.4266667	+	614.308	1.4266667	96.78	C05790	(615.315, 10825.15)(616.3186, 4562.52)(617.3203, 932.04)	FindByMolecularFeature	C33 H44 N4 O6	3	HMDB01898
Metalaxyl	Metalaxyl [ C15 H21 N O4, overall=48.98, db=48.98, CAS ID=57837-19-1, KEGG ID=C10947, METLIN ID=68712 ]	57837-19-1		Metalaxyl	+	296.1734	6.129	48.98	C10947	(297.1806, 8300.16)(298.1801, 2861.51)	FindByMolecularFeature	C15 H21 N O4	3
Metanephrine	Metanephrine [ C10 H15 N O3, overall=59.47, db=59.47, CAS ID=5001-33-2, KEGG ID=C05588, METLIN ID=65, HMP ID=HMDB04063 ]	5001-33-2		Metanephrine	+	197.1056	1.2906667	59.47	C05588	(198.1133, 3828.76)(199.1156, 1019.72)	FindByMolecularFeature	C10 H15 N O3	3	HMDB04063
Methicillin	Methicillin [ C17 H20 N2 O6 S, overall=61.38, db=61.38, CAS ID=61-32-5, KEGG ID=C07177, METLIN ID=66601 ]	61-32-5		Methicillin	+	402.0851	1.13	61.38	C07177	(403.0924, 2927.95)(404.0953, 908.6)	FindByMolecularFeature	C17 H20 N2 O6 S	3
Methylone	Methylone [ C11 H13 N O3, overall=57.26, db=57.26, CAS ID=186028-79-5, KEGG ID=C20126, METLIN ID=73543 ]	186028-79-5		Methylone	+	207.09	1.3486667	57.26	C20126	(230.0827, 1026.2)(208.0974, 11156.6)(209.103, 2607.18)	FindByMolecularFeature	C11 H13 N O3	3
Muscimol +3.425	Muscimol [ C4 H6 N2 O2, overall=61.04, db=61.04, CAS ID=2763-96-4, KEGG ID=C08311, METLIN ID=66902 ]	2763-96-4		Muscimol +3.425	+	114.043	3.425	61.04	C08311	(115.0503, 7715.05)(116.0528, 1658.34)	FindByMolecularFeature	C4 H6 N2 O2	3
Myristic Acid Alkyne	Myristic Acid Alkyne [ C14 H24 O2, overall=58.34, db=58.34, CAS ID=82909-47-5, METLIN ID=35248 ]	82909-47-5		Myristic Acid Alkyne	+	224.178	1.126	58.34		(471.3491, 846.16)(225.1854, 2327.33)(226.184, 619.65)(242.212, 1062.5)(449.3621, 528.85)	FindByMolecularFeature	C14 H24 O2	3
N-(3S-hydroxydecanoyl)-L-serine +9.627333	N-(3S-hydroxydecanoyl)-L-serine [ C13 H25 N O5, overall=46.67, db=46.67, Lipid ID=LMFA00000002, METLIN ID=45741 ]			N-(3S-hydroxydecanoyl)-L-serine +9.627333	+	146.1009	9.627333	46.67		(147.1091, 1101.14)(293.2076, 1874.6)	FindByMolecularFeature	C13 H25 N O5	3		LMFA00000002
N(alpha)-gamma-L-Glutamylhistamine +3.2143333	N(alpha)-gamma-L-Glutamylhistamine [ C10 H16 N4 O3, overall=42.21, db=42.21, KEGG ID=C04138, METLIN ID=66121 ]			N(alpha)-gamma-L-Glutamylhistamine +3.2143333	+	240.1206	3.2143333	42.21	C04138	(263.1103, 2528.16)(241.1287, 2083.0)	FindByMolecularFeature	C10 H16 N4 O3	3
N-Acetyl-D-phenylalanine	N-Acetyl-D-phenylalanine [ C11 H13 N O3, overall=56.55, db=56.55, CAS ID=2018-61-3, KEGG ID=C03519, METLIN ID=5498, HMP ID=HMDB00512 ]	2018-61-3		N-Acetyl-D-phenylalanine	+	207.0879	1.8403333	56.55	C03519	(208.0976, 2207.04)(209.0993, 695.16)(225.1229, 1660.3)	FindByMolecularFeature	C11 H13 N O3	3	HMDB00512
N-Acetyl-D-quinovosamine	N-Acetyl-D-quinovosamine [ C8 H15 N O5, overall=65.96, db=65.96, KEGG ID=C15481, METLIN ID=70939 ]			N-Acetyl-D-quinovosamine	+	205.0953	2.756667	65.96	C15481	(206.1026, 5744.35)(207.1059, 1200.79)	FindByMolecularFeature	C8 H15 N O5	3
N-Acetyl-L-glutamic acid	N-Acetyl-L-glutamic acid [ C7 H11 N O5, overall=62.99, db=62.99, CAS ID=1188-37-0, KEGG ID=C00624, METLIN ID=3325 ]	1188-37-0		N-Acetyl-L-glutamic acid	+	189.0645	1.0503334	62.99	C00624	(190.0717, 6103.32)(191.0726, 946.81)(192.0688, 646.22)	FindByMolecularFeature	C7 H11 N O5	3
N-alpha-Acetyl-L-2,4-diaminobutyrate +2.5866666	N-alpha-Acetyl-L-2,4-diaminobutyrate [ C6 H12 N2 O3, overall=51.06, db=51.06, KEGG ID=C19929, METLIN ID=73433 ]			N-alpha-Acetyl-L-2,4-diaminobutyrate +2.5866666	+	160.0853	2.5866666	51.06	C19929	(183.0755, 1415.12)(161.0923, 6235.24)(162.0912, 897.2)(163.082, 600.87)	FindByMolecularFeature	C6 H12 N2 O3	3
N-Hydroxy-1-aminonaphthalene	N-Hydroxy-1-aminonaphthalene [ C10 H9 N O, overall=61.57, db=61.57, CAS ID=607-30-7, KEGG ID=C14789, METLIN ID=70323 ]	607-30-7		N-Hydroxy-1-aminonaphthalene	+	159.0706	2.0990002	61.57	C14789	(160.0779, 14785.53)(161.0812, 1073.94)	FindByMolecularFeature	C10 H9 N O	3
N-Hydroxy-L-phenylalanine +6.2246666	N-Hydroxy-L-phenylalanine [ C9 H11 N O3, overall=68.59, db=68.59, KEGG ID=C19712, METLIN ID=73312 ]			N-Hydroxy-L-phenylalanine +6.2246666	+	181.0744	6.2246666	68.59	C19712	(182.0816, 5361.66)(183.084, 1069.55)	FindByMolecularFeature	C9 H11 N O3	3
N-Hydroxynorcocaine	N-Hydroxynorcocaine [ C16 H19 N O5, overall=72.60, db=72.60, CAS ID=72182-43-5, METLIN ID=1906 ]	72182-43-5		N-Hydroxynorcocaine	+	322.1532	2.3806667	72.6		(323.1604, 3663.26)(324.156, 709.74)	FindByMolecularFeature	C16 H19 N O5	3
N-oleoyl ethanolamine	N-oleoyl ethanolamine [ C20 H39 N O2, overall=73.35, db=73.35, Lipid ID=LMFA08040015, METLIN ID=75539, HMP ID=HMDB02088 ]			N-oleoyl ethanolamine	+	325.2986	1.206	73.35		(348.2918, 850.52)(326.3051, 3679.1)(327.3065, 1044.79)	FindByMolecularFeature	C20 H39 N O2	3	HMDB02088	LMFA08040015
N-tridecanoyl-L-Homserine lactone	N-tridecanoyl-L-Homserine lactone [ C17 H31 N O3, overall=30.68, db=30.68, CAS ID=878627-21-5, METLIN ID=45458 ]	878627-21-5		N-tridecanoyl-L-Homserine lactone	+	280.2046	1.103	30.68		(303.1929, 1301.81)(281.2099, 1439.52)(282.2019, 591.59)(298.2401, 2141.01)	FindByMolecularFeature	C17 H31 N O3	3
Octanoic acid, 3-amino-, (1)- +10.230333	Octanoic acid, 3-amino-, (1)- [ C8 H17 N O2, overall=82.92, db=82.92, Lipid ID=LMFA01100020, METLIN ID=74873 ]			Octanoic acid, 3-amino-, (1)- +10.230333	+	176.1526	10.230333	82.92		(177.1598, 7935.35)(178.1635, 1037.85)	FindByMolecularFeature	C8 H17 N O2	3		LMFA01100020
O-hexanoyl-R-carnitine	O-hexanoyl-R-carnitine [ C13 H26 N O4, overall=47.18, db=47.18, Lipid ID=LMFA07070001, METLIN ID=75446, HMP ID=HMDB00756 ]			O-hexanoyl-R-carnitine	+	242.1511	1.178	47.18		(265.1433, 1067.75)(243.1591, 1392.41)(260.1853, 2209.56)	FindByMolecularFeature	C13 H26 N O4	3	HMDB00756	LMFA07070001
O-hexanoyl-R-carnitine +1.1413333	O-hexanoyl-R-carnitine [ C13 H26 N O4, overall=58.12, db=58.12, Lipid ID=LMFA07070001, METLIN ID=75446, HMP ID=HMDB00756 ]			O-hexanoyl-R-carnitine +1.1413333	+	259.18	1.1413333	58.12		(260.1872, 4144.5)(261.1872, 1059.32)(277.2106, 1771.57)	FindByMolecularFeature	C13 H26 N O4	3	HMDB00756	LMFA07070001
oleanolic acid 3-O-beta-D-glucosiduronic acid	oleanolic acid 3-O-beta-D-glucosiduronic acid [ C36 H56 O9, overall=42.24, db=42.24, KEGG ID=C08964, METLIN ID=53771 ]			oleanolic acid 3-O-beta-D-glucosiduronic acid	+	649.4233	3.7156668	42.24	C08964	(650.4306, 1986.37)(651.4366, 652.17)	FindByMolecularFeature	C36 H56 O9	3
Oleoyl Ethyl Amide +1.1503334	Oleoyl Ethyl Amide [ C20 H39 N O, overall=68.43, db=68.43, CAS ID=85075-82-7, METLIN ID=44905 ]	85075-82-7		Oleoyl Ethyl Amide +1.1503334	+	309.303	1.1503334	68.43		(310.3103, 2973.26)(619.6133, 3418.4)(620.616, 1646.37)	FindByMolecularFeature	C20 H39 N O	3
Olprinone	Olprinone [ C14 H10 N4 O, overall=81.23, db=81.23, CAS ID=119615-63-3, KEGG ID=C13546, METLIN ID=69592 ]	119615-63-3		Olprinone	+	267.1113	1.9543333	81.23	C13546	(268.1185, 6095.44)(269.1232, 1107.46)	FindByMolecularFeature	C14 H10 N4 O	3
Orsellinic acid	Orsellinic acid [ C8 H8 O4, overall=83.43, db=83.43, Lipid ID=LMPK13010001, CAS ID=480-64-8, KEGG ID=C01839, METLIN ID=41017 ]	480-64-8		Orsellinic acid	+	185.0692	6.2409997	83.43	C01839	(186.0764, 6647.66)(187.0784, 747.69)	FindByMolecularFeature	C8 H8 O4	3		LMPK13010001
PA(13:0/18:3(6Z,9Z,12Z)) +7.2623334	PA(13:0/18:3(6Z,9Z,12Z)) [ C34 H61 O8 P, overall=65.63, db=65.63, Lipid ID=LMGP10010077, METLIN ID=81243 ]			PA(13:0/18:3(6Z,9Z,12Z)) +7.2623334	+	650.3953	7.2623334	65.63		(651.4025, 12235.47)(652.4068, 2625.69)(653.4094, 696.07)	FindByMolecularFeature	C34 H61 O8 P	3		LMGP10010077
PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)) [ C45 H67 O8 P, overall=53.49, db=53.49, Lipid ID=LMGP10010839, METLIN ID=82005 ]			PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	+	788.437	5.6766667	53.49		(789.4431, 2243.52)(790.4483, 1264.25)	FindByMolecularFeature	C45 H67 O8 P	3		LMGP10010839
Palmitic amide +3.7223332	Palmitic amide [ C16 H33 N O, overall=85.44, db=85.44, CAS ID=629-54-9, METLIN ID=62905, HMP ID=HMDB12273 ]	629-54-9		Palmitic amide +3.7223332	+	255.2561	3.7223332	85.44		(256.2634, 5127.93)(257.2674, 1003.73)	FindByMolecularFeature	C16 H33 N O	3	HMDB12273
Palmitoyl N-Isopropylamide	Palmitoyl N-Isopropylamide [ C19 H39 N O, overall=71.29, db=71.29, CAS ID=189939-61-5, METLIN ID=64930 ]	189939-61-5		Palmitoyl N-Isopropylamide	+	297.3044	1.1396667	71.29		(298.3105, 2680.51)(299.3124, 806.8)	FindByMolecularFeature	C19 H39 N O	3
PE(18:4(6Z,9Z,12Z,15Z)/19:1(9Z))	PE(18:4(6Z,9Z,12Z,15Z)/19:1(9Z)) [ C42 H74 N O8 P, overall=50.84, db=50.84, Lipid ID=LMGP02010756, METLIN ID=76991 ]			PE(18:4(6Z,9Z,12Z,15Z)/19:1(9Z))	+	768.5404	5.292333	50.84		(769.5468, 1736.93)(770.5474, 926.82)	FindByMolecularFeature	C42 H74 N O8 P	3		LMGP02010756
PE(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	PE(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) [ C43 H70 N O8 P, overall=58.80, db=58.80, KEGG ID=C00350, METLIN ID=60789, HMP ID=HMDB09393 ]			PE(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	+	781.4657	7.9533334	58.8	C00350	(782.4738, 1982.99)(783.4788, 1207.16)	FindByMolecularFeature	C43 H70 N O8 P	3	HMDB09393
PE(9:0/9:0)[U] +6.3563333	PE(9:0/9:0)[U] [ C23 H46 N O8 P, overall=65.27, db=65.27, Lipid ID=LMGP02010285, METLIN ID=40682 ]			PE(9:0/9:0)[U] +6.3563333	+	495.2967	6.3563333	65.27		(496.3038, 10411.33)(497.3067, 1328.83)	FindByMolecularFeature	C23 H46 N O8 P	3		LMGP02010285
Phenylbutyrylglutamine +5.4903336	Phenylbutyrylglutamine [ C15 H20 N2 O4, overall=85.67, db=85.67, METLIN ID=62425, HMP ID=HMDB11687 ]			Phenylbutyrylglutamine +5.4903336	+	292.142	5.4903336	85.67		(293.1493, 14407.82)(294.1526, 2624.86)	FindByMolecularFeature	C15 H20 N2 O4	3	HMDB11687
Philanthotoxin	Philanthotoxin [ C23 H41 N5 O3, overall=70.17, db=70.17, CAS ID=115976-91-5, KEGG ID=C20052, METLIN ID=73527 ]	115976-91-5		Philanthotoxin	+	457.3054	1.3496667	70.17	C20052	(480.2947, 1002.55)(458.3098, 1705.26)(459.3121, 809.52)(460.3169, 897.92)	FindByMolecularFeature	C23 H41 N5 O3	3
Phosphohydroxypyruvic acid	Phosphohydroxypyruvic acid [ C3 H5 O7 P, overall=50.97, db=50.97, CAS ID=3913-50-6, KEGG ID=C03232, METLIN ID=484, HMP ID=HMDB01024 ]	3913-50-6		Phosphohydroxypyruvic acid	+	183.9783	6.8799996	50.97	C03232	(184.9859, 11003.74)(185.9884, 480.79)(186.9815, 5489.28)	FindByMolecularFeature	C3 H5 O7 P	3	HMDB01024
Pirbuterol +8.443	Pirbuterol [ C12 H20 N2 O3, overall=86.59, db=86.59, CAS ID=38677-81-5, KEGG ID=C07807, METLIN ID=66744 ]	38677-81-5		Pirbuterol +8.443	+	240.1475	8.443	86.59	C07807	(241.1548, 21606.0)(242.1584, 2939.35)	FindByMolecularFeature	C12 H20 N2 O3	3
p-Lactophenetide +6.542	p-Lactophenetide [ C11 H15 N O3, overall=69.37, db=69.37, CAS ID=539-08-2, KEGG ID=C14262, METLIN ID=69921 ]	539-08-2		p-Lactophenetide +6.542	+	209.106	6.542	69.37	C14262	(210.1133, 5446.59)(211.1156, 1149.57)(227.1391, 2011.78)	FindByMolecularFeature	C11 H15 N O3	3
Pro Ala Gln	Pro Ala Gln [ C13 H22 N4 O5, overall=79.15, db=79.15, METLIN ID=21097 ]			Pro Ala Gln	+	336.1395	4.5436664	79.15		(337.1467, 10461.26)(338.1502, 1684.62)	FindByMolecularFeature	C13 H22 N4 O5	3
Pro Glu	Pro Glu [ C10 H16 N2 O5, overall=68.32, db=68.32, METLIN ID=23678 ]			Pro Glu	+	244.1062	5.3093333	68.32		(267.0953, 1705.08)(245.1136, 3282.64)(246.1155, 705.78)	FindByMolecularFeature	C10 H16 N2 O5	3
Propranolol glucuronide	Propranolol glucuronide [ C22 H29 N O8, overall=67.08, db=67.08, CAS ID=66322-66-5, METLIN ID=2174 ]	66322-66-5		Propranolol glucuronide	+	435.1895	1.3903333	67.08		(436.1968, 2312.39)(437.1992, 837.33)	FindByMolecularFeature	C22 H29 N O8	3
Pyrimidodiazepine +3.382	Pyrimidodiazepine [ C9 H11 N5 O2, overall=46.91, db=46.91, CAS ID=, KEGG ID=C02587, METLIN ID=63638 ]			Pyrimidodiazepine +3.382	+	221.0907	3.382	46.91	C02587	(244.0801, 3959.91)(222.0979, 3016.2)	FindByMolecularFeature	C9 H11 N5 O2	3
Remikiren +4.8683333	Remikiren [ C33 H50 N4 O6 S, overall=50.06, db=50.06, CAS ID=126222-34-2, KEGG ID=C07465, METLIN ID=66652 ]	126222-34-2		Remikiren +4.8683333	+	652.3281	4.8683333	50.06	C07465	(653.3359, 1527.89)(654.3333, 1156.22)	FindByMolecularFeature	C33 H50 N4 O6 S	3
Rosaniline +1.3466667	Rosaniline [ C20 H19 N3, overall=48.71, db=48.71, CAS ID=632-99-5, KEGG ID=C19252, METLIN ID=72972 ]	632-99-5		Rosaniline +1.3466667	+	301.1555	1.3466667	48.71	C19252	(324.1431, 927.24)(302.1628, 2923.84)(303.1701, 1266.17)(319.189, 1306.78)	FindByMolecularFeature	C20 H19 N3	3
S-Allyl-L-cysteine	S-Allyl-L-cysteine [ C6 H11 N O2 S, overall=68.75, db=68.75, CAS ID=21593-77-1, KEGG ID=C16759, METLIN ID=71319 ]	21593-77-1		S-Allyl-L-cysteine	+	161.051	5.747667	68.75	C16759	(162.0583, 7540.16)(163.0652, 687.61)	FindByMolecularFeature	C6 H11 N O2 S	3
Secnidazole +6.5833335	Secnidazole [ C7 H11 N3 O3, overall=84.73, db=84.73, CAS ID=3366-95-8, METLIN ID=43554 ]	3366-95-8		Secnidazole +6.5833335	+	185.0802	6.5833335	84.73		(186.0875, 17987.0)(187.0943, 1081.13)(188.096, 595.47)	FindByMolecularFeature	C7 H11 N3 O3	3
Sericetin Diacetate +1.185	Sericetin Diacetate [ C29 H28 O7, overall=53.22, db=53.22, CAS ID=, METLIN ID=43609 ]			Sericetin Diacetate +1.185	+	510.168	1.185	53.22		(511.1753, 3249.11)(512.179, 1436.1)	FindByMolecularFeature	C29 H28 O7	3
Tacrolimus +7.75	Tacrolimus [ C44 H69 N O12, overall=56.50, db=56.50, Lipid ID=LMPK04000003, CAS ID=104987-11-3, KEGG ID=C01375, METLIN ID=2631 ]	104987-11-3		Tacrolimus +7.75	+	803.4812	7.75	56.5	C01375	(804.4871, 3384.02)(805.4882, 1322.51)	FindByMolecularFeature	C44 H69 N O12	3		LMPK04000003
Talatizamine	Talatizamine [ C24 H39 N O5, overall=77.94, db=77.94, CAS ID=20501-56-8, KEGG ID=C08713, METLIN ID=67147 ]	20501-56-8		Talatizamine	+	421.2835	1.2466668	77.94	C08713	(422.2907, 7430.47)(423.2901, 2270.59)(424.2956, 998.23)	FindByMolecularFeature	C24 H39 N O5	3
Tegaserod	Tegaserod [ C16 H23 N5 O, overall=50.25, db=50.25, CAS ID=145158-71-0, METLIN ID=44186 ]	145158-71-0		Tegaserod	+	301.1924	1.2043333	50.25		(302.1996, 2588.01)(303.1969, 1129.65)	FindByMolecularFeature	C16 H23 N5 O	3
TG(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z))[iso6] +5.7100005	TG(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z))[iso6] [ C63 H104 O6, overall=43.97, db=43.97, Lipid ID=LMGL03011726, METLIN ID=38224 ]			TG(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z))[iso6] +5.7100005	+	973.8053	5.7100005	43.97		(974.8124, 7927.58)(975.817, 1384.43)	FindByMolecularFeature	C63 H104 O6	3		LMGL03011726
THTA	THTA [ C6 H10 O2 S, overall=98.48, db=98.48, KEGG ID=C11072, METLIN ID=68815 ]			THTA	+	146.0403	2.8256667	98.48	C11072	(147.0475, 20829.01)(148.0508, 1297.27)(149.0443, 1353.14)	FindByMolecularFeature	C6 H10 O2 S	3
Trandolapril lactam (RU 46178)	Trandolapril lactam (RU 46178) [ C24 H32 N2 O4, overall=63.63, db=63.63, CAS ID=149881-40-3, METLIN ID=2889 ]	149881-40-3		Trandolapril lactam (RU 46178)	+	429.261	6.0826664	63.63		(430.2686, 7607.15)(431.2697, 1025.56)(432.2799, 551.12)	FindByMolecularFeature	C24 H32 N2 O4	3
Triamcinolone hexacetonide	Triamcinolone hexacetonide [ C30 H41 F O7, overall=62.51, db=62.51, CAS ID=5611-51-8, KEGG ID=C08185, METLIN ID=2904 ]	5611-51-8		Triamcinolone hexacetonide	+	549.3088	1.068	62.51	C08185	(550.3159, 6510.12)(551.3197, 2952.87)	FindByMolecularFeature	C30 H41 F O7	3
Tris(2-methyl-1-aziridinyl)phosphine oxide +1.585	Tris(2-methyl-1-aziridinyl)phosphine oxide [ C9 H18 N3 O P, overall=82.22, db=82.22, CAS ID=57-39-6, KEGG ID=C19556, METLIN ID=73227 ]	57-39-6		Tris(2-methyl-1-aziridinyl)phosphine oxide +1.585	+	237.1007	1.585	82.22	C19556	(238.1085, 5130.64)(239.1106, 753.62)	FindByMolecularFeature	C9 H18 N3 O P	3
Tropine +5.867334	Tropine [ C8 H15 N O, overall=81.65, db=81.65, CAS ID=120-29-6, KEGG ID=C00729, METLIN ID=1164 ]	120-29-6		Tropine +5.867334	+	141.1156	5.867334	81.65	C00729	(142.1229, 38295.4)(143.1209, 3363.21)(144.1148, 875.89)	FindByMolecularFeature	C8 H15 N O	3
Tropinone +1.403	Tropinone [ C8 H13 N O, overall=86.79, db=86.79, CAS ID=532-24-1, KEGG ID=C00783, METLIN ID=64425 ]	532-24-1		Tropinone +1.403	+	139.0997	1.403	86.79	C00783	(140.107, 9801.14)(141.1096, 1003.3)	FindByMolecularFeature	C8 H13 N O	3
Trp Lys Arg	Trp Lys Arg [ C23 H36 N8 O4, overall=58.39, db=58.39, METLIN ID=23259 ]			Trp Lys Arg	+	505.3094	4.7973332	58.39		(506.3163, 4238.12)(507.3207, 1442.56)	FindByMolecularFeature	C23 H36 N8 O4	3
Tubulosine	Tubulosine [ C29 H37 N3 O3, overall=52.47, db=52.47, CAS ID=2632-29-3, KEGG ID=C09248, METLIN ID=64422 ]	2632-29-3		Tubulosine	+	492.3084	1.3379999	52.47	C09248	(515.2992, 820.4)(493.3184, 2877.3)(494.3267, 1144.12)(510.3415, 1732.18)(511.3303, 620.67)	FindByMolecularFeature	C29 H37 N3 O3	3
Tumonoic Acid H	Tumonoic Acid H [ C26 H45 N O7, overall=53.71, db=53.71, METLIN ID=65436 ]			Tumonoic Acid H	+	483.3189	1.3366667	53.71		(484.3262, 1916.46)(485.323, 1762.31)(486.3377, 1894.57)	FindByMolecularFeature	C26 H45 N O7	3
Tyr Leu +6.7903333	Tyr Leu [ C15 H22 N2 O4, overall=61.39, db=61.39, METLIN ID=24037 ]			Tyr Leu +6.7903333	+	294.1583	6.7903333	61.39		(295.1656, 3914.73)(296.1681, 1373.0)	FindByMolecularFeature	C15 H22 N2 O4	3
Val Leu +6.9236665	Val Leu [ C11 H22 N2 O3, overall=50.88, db=50.88, METLIN ID=23950 ]			Val Leu +6.9236665	+	230.1632	6.9236665	50.88		(253.1547, 1609.48)(231.1705, 3664.72)(232.1651, 872.08)	FindByMolecularFeature	C11 H22 N2 O3	3
Val Lys +9.469001	Val Lys [ C11 H23 N3 O3, overall=63.32, db=63.32, METLIN ID=23854 ]			Val Lys +9.469001	+	245.1742	9.469001	63.32		(246.1811, 4456.29)(247.1856, 1131.12)	FindByMolecularFeature	C11 H23 N3 O3	3
Val Val +3.1266668	Val Val [ C10 H20 N2 O3, overall=75.08, db=75.08, METLIN ID=23988 ]			Val Val +3.1266668	+	216.1479	3.1266668	75.08		(217.1552, 6601.29)(218.1574, 1223.2)	FindByMolecularFeature	C10 H20 N2 O3	3
Veatchine	Veatchine [ C22 H33 N O2, overall=52.52, db=52.52, CAS ID=, KEGG ID=C06092, METLIN ID=64020 ]			Veatchine	+	365.2311	1.9593334	52.52	C06092	(366.2384, 3828.83)(367.2424, 1731.0)	FindByMolecularFeature	C22 H33 N O2	3
Victorin C +1.0163333	Victorin C [ C31 H45 Cl3 N6 O13, overall=13.30, db=13.30, CAS ID=100822-41-1, KEGG ID=C08443, METLIN ID=66980 ]	100822-41-1		Victorin C +1.0163333	+	814.2066	1.0163333	13.3	C08443	(815.2156, 1173.49)(816.2159, 879.43)(817.2137, 1230.39)(832.2405, 18768.82)(833.2417, 15198.66)(834.2247, 45512.73)(835.2239, 36069.9)(836.2195, 32128.71)	FindByMolecularFeature	C31 H45 Cl3 N6 O13	3
Y-27632	Y-27632 [ C14 H21 N3 O, overall=25.34, db=25.34, CAS ID=129830-38-2, METLIN ID=44907 ]	129830-38-2		Y-27632	+	264.191	1.2596668	25.34		(265.1996, 2388.25)(282.228, 1453.55)	FindByMolecularFeature	C14 H21 N3 O	3
YM-53601	YM-53601 [ C21 H21 F N2 O, overall=77.64, db=77.64, CAS ID=182959-33-7, METLIN ID=45622 ]	182959-33-7		YM-53601	+	336.1649	8.395667	77.64		(337.1722, 3785.98)(338.1767, 816.57)	FindByMolecularFeature	C21 H21 F N2 O	3
Z-Arg-Arg-NHMec +3.6420002	Z-Arg-Arg-NHMec [ C30 H39 N9 O6, overall=64.56, db=64.56, CAS ID=88937-61-5, KEGG ID=C02334, METLIN ID=65750 ]	88937-61-5		Z-Arg-Arg-NHMec +3.6420002	+	638.3307	3.6420002	64.56	C02334	(639.3364, 2180.1)(640.3406, 1038.06)	FindByMolecularFeature	C30 H39 N9 O6	3
(-)-AS 115	(-)-AS 115 [ C21 H32 F N O4, overall=44.06, db=44.06, METLIN ID=45507 ]			(-)-AS 115	+	398.2629	1.507	44.06		(399.2689, 1986.49)(400.274, 1242.79)(401.2563, 1752.32)	FindByMolecularFeature	C21 H32 F N O4	2
(-)-Kanshone A +1.2325	(-)-Kanshone A [ C15 H24 O2, overall=36.02, db=36.02, METLIN ID=53426 ]			(-)-Kanshone A +1.2325	+	236.1734	1.2325	36.02		(237.18, 1307.22)(254.2097, 1381.48)(473.3471, 746.0)	FindByMolecularFeature	C15 H24 O2	2
(-)-Spruceanol	(-)-Spruceanol [ C20 H28 O2, overall=49.00, db=49.00, KEGG ID=C09188, METLIN ID=53622 ]			(-)-Spruceanol	+	322.1899	1.392	49	C09188	(323.1972, 2847.78)(324.2063, 1272.5)	FindByMolecularFeature	C20 H28 O2	2
(+)-Tephropurpurin	(+)-Tephropurpurin [ C24 H24 O7, overall=67.18, db=67.18, Lipid ID=LMPK12120211, METLIN ID=52015 ]			(+)-Tephropurpurin	+	424.1552	6.057	67.18		(425.1625, 21214.59)(426.1665, 3674.75)(427.1692, 1042.61)	FindByMolecularFeature	C24 H24 O7	2		LMPK12120211
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol	(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol [ C17 H27 N O3, overall=59.32, db=59.32, KEGG ID=C04875, METLIN ID=66272 ]			(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol	+	293.1997	4.6275	59.32	C04875	(294.207, 4057.96)(295.2115, 1395.68)	FindByMolecularFeature	C17 H27 N O3	2
(±)15-HEDE	(±)15-HEDE [ C20 H36 O3, overall=48.87, db=48.87, CAS ID=77159-57-0, METLIN ID=43398 ]	77159-57-0		(±)15-HEDE	+	324.266	1.0745	48.87		(325.2732, 4444.11)(326.2732, 1741.02)(342.2999, 3249.96)	FindByMolecularFeature	C20 H36 O3	2
(±)-Ibuprofen	(±)-Ibuprofen [ C13 H18 O2, overall=74.33, db=74.33, CAS ID=15687-27-1, KEGG ID=C01588, METLIN ID=572, HMP ID=HMDB01925 ]	15687-27-1		(±)-Ibuprofen	+	228.1114	6.9805	74.33	C01588	(229.1186, 6010.96)(230.123, 1138.87)	FindByMolecularFeature	C13 H18 O2	2	HMDB01925
(10S)-Juvenile hormone III acid diol	(10S)-Juvenile hormone III acid diol [ C15 H26 O4, overall=78.12, db=78.12, CAS ID=, KEGG ID=C16506, METLIN ID=64602 ]			(10S)-Juvenile hormone III acid diol	+	287.2101	4.6885	78.12	C16506	(288.2174, 4849.24)(289.2192, 1052.65)	FindByMolecularFeature	C15 H26 O4	2
(11Z)-8,18-methano-retinal	(11Z)-8,18-methano-retinal [ C21 H28 O, overall=54.03, db=54.03, Lipid ID=LMPR01090044, METLIN ID=41534 ]			(11Z)-8,18-methano-retinal	+	318.1945	1.3725	54.03		(319.2018, 3609.11)(320.2074, 1661.84)	FindByMolecularFeature	C21 H28 O	2		LMPR01090044
(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester +3.01	(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester [ C13 H15 N2 O2, overall=58.43, db=58.43, CAS ID=819850-13-0, METLIN ID=44983 ]	819850-13-0		(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester +3.01	+	253.0958	3.01	58.43		(254.1029, 3287.41)(255.1088, 856.1)	FindByMolecularFeature	C13 H15 N2 O2	2
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid +1.1285	(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ C14 H24 O3, overall=34.24, db=34.24, Lipid ID=LMFA02010016, METLIN ID=74961 ]			(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid +1.1285	+	240.1709	1.1285	34.24		(263.1587, 953.3)(241.1779, 1958.9)(258.2089, 968.73)(498.379, 660.28)	FindByMolecularFeature	C14 H24 O3	2		LMFA02010016
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +1.99	(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid [ C24 H40 O5, overall=65.44, db=65.44, METLIN ID=42694 ]			(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +1.99	+	425.315	1.99	65.44		(426.3223, 1669.95)(427.3241, 646.26)	FindByMolecularFeature	C24 H40 O5	2
(23S,25R)-23,25,26-trihydroxyvitamin D3 / (23S,25R)-23,25,26-trihydroxycholecalciferol	(23S,25R)-23,25,26-trihydroxyvitamin D3 / (23S,25R)-23,25,26-trihydroxycholecalciferol [ C27 H44 O4, overall=61.40, db=61.40, Lipid ID=LMST03020299, METLIN ID=42234 ]			(23S,25R)-23,25,26-trihydroxyvitamin D3 / (23S,25R)-23,25,26-trihydroxycholecalciferol	+	432.324	1.1945	61.4		(433.3313, 2679.23)(434.3333, 1249.42)	FindByMolecularFeature	C27 H44 O4	2		LMST03020299
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-27-oyl taurine +3.6455	(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-27-oyl taurine [ C29 H51 N O7 S, overall=63.91, db=63.91, Lipid ID=LMST05040007, METLIN ID=57993 ]			(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-27-oyl taurine +3.6455	+	574.3647	3.6455	63.91		(575.372, 2688.21)(576.3749, 1086.11)	FindByMolecularFeature	C29 H51 N O7 S	2		LMST05040007
(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol +1.3365	(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol [ C27 H48 O7, overall=57.39, db=57.39, Lipid ID=LMST01010327, METLIN ID=83928 ]			(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol +1.3365	+	501.3663	1.3365	57.39		(502.3734, 2358.25)(503.3757, 1469.33)	FindByMolecularFeature	C27 H48 O7	2		LMST01010327
(3Z)-Phytochromobilin	(3Z)-Phytochromobilin [ C33 H36 N4 O6, overall=65.43, db=65.43, CAS ID=, KEGG ID=C05913, METLIN ID=63938 ]			(3Z)-Phytochromobilin	+	584.2622	1.0845001	65.43	C05913	(585.2695, 3938.77)(586.2729, 2074.1)(587.2858, 1124.38)	FindByMolecularFeature	C33 H36 N4 O6	2
(4E,8E,10E-d18:3)sphingosine +5.1455	(4E,8E,10E-d18:3)sphingosine [ C18 H33 N O2, overall=85.11, db=85.11, Lipid ID=LMSP01080013, METLIN ID=53913 ]			(4E,8E,10E-d18:3)sphingosine +5.1455	+	312.2772	5.1455	85.11		(313.2845, 10253.89)(314.2883, 2140.47)	FindByMolecularFeature	C18 H33 N O2	2		LMSP01080013
(4E,8E,9Me-d19:2)sphingosine	(4E,8E,9Me-d19:2)sphingosine [ C19 H37 N O2, overall=84.60, db=84.60, Lipid ID=LMSP01080012, METLIN ID=53912 ]			(4E,8E,9Me-d19:2)sphingosine	+	328.3088	5.204	84.6		(329.3161, 11306.87)(330.3188, 2195.91)	FindByMolecularFeature	C19 H37 N O2	2		LMSP01080012
(E)-2-Butenyl-4-methyl-threonine +6.328	(E)-2-Butenyl-4-methyl-threonine [ C9 H17 N O3, overall=53.06, db=53.06, CAS ID=81135-57-1, KEGG ID=C12029, METLIN ID=69263 ]	81135-57-1		(E)-2-Butenyl-4-methyl-threonine +6.328	+	187.1232	6.328	53.06	C12029	(210.1129, 22194.83)(211.1168, 3211.69)(188.1283, 5513.41)(189.1313, 1106.18)	FindByMolecularFeature	C9 H17 N O3	2
(S)-ATPA +7.0475	(S)-ATPA [ C10 H16 N2 O4, overall=66.93, db=66.93, KEGG ID=C13733, METLIN ID=69667 ]			(S)-ATPA +7.0475	+	228.1112	7.0475	66.93	C13733	(229.1184, 3739.11)(230.1211, 877.53)	FindByMolecularFeature	C10 H16 N2 O4	2
(S)-b-amino-isobutyric acid +1.871	(S)-b-amino-isobutyric acid [ C4 H9 N O2, overall=87.63, db=87.63, Lipid ID=LMFA01100050, KEGG ID=C03284, METLIN ID=45884 ]			(S)-b-amino-isobutyric acid +1.871	+	103.0635	1.871	87.63	C03284	(104.0708, 71027.8)(105.074, 3504.32)	FindByMolecularFeature	C4 H9 N O2	2		LMFA01100050
(S)-beta-Methylindolepyruvate	(S)-beta-Methylindolepyruvate [ C12 H11 N O3, overall=83.30, db=83.30, KEGG ID=C03914, METLIN ID=66077 ]			(S)-beta-Methylindolepyruvate	+	217.0744	5.5965004	83.3	C03914	(218.0817, 4885.78)(219.0853, 791.51)	FindByMolecularFeature	C12 H11 N O3	2
?-Alanyl-L-arginine +7.9485	?-Alanyl-L-arginine [ C9 H19 N5 O3, overall=45.11, db=45.11, CAS ID=, KEGG ID=C05340, METLIN ID=63571 ]			?-Alanyl-L-arginine +7.9485	+	245.1459	7.9485	45.11	C05340	(246.1532, 3643.78)(247.1575, 796.12)	FindByMolecularFeature	C9 H19 N5 O3	2
?-Hexalactone +1.392	?-Hexalactone [ C6 H10 O2, overall=43.98, db=43.98, CAS ID=823-22-3, METLIN ID=5442, HMP ID=HMDB00453 ]	823-22-3		?-Hexalactone +1.392	+	114.0681	1.392	43.98		(115.0761, 2029.72)(246.1695, 1734.47)(229.1456, 867.06)	FindByMolecularFeature	C6 H10 O2	2	HMDB00453
?-Mangostin	?-Mangostin [ C24 H26 O6, overall=54.36, db=54.36, CAS ID=6147-11-1, KEGG ID=C10080, METLIN ID=44383 ]	11/1/6147		?-Mangostin	+	427.2026	1.4909999	54.36	C10080	(428.2098, 4453.57)(429.2129, 1557.87)	FindByMolecularFeature	C24 H26 O6	2
1(3)-glyceryl-PGH2	1(3)-glyceryl-PGH2 [ C23 H38 O7, overall=43.67, db=43.67, Lipid ID=LMFA03010190, METLIN ID=36237 ]			1(3)-glyceryl-PGH2	+	426.2605	1.5799999	43.67		(427.2678, 2541.83)(428.2697, 1082.24)(429.2651, 674.68)	FindByMolecularFeature	C23 H38 O7	2		LMFA03010190
1-(3-Aminopropyl)-4-aminobutanal +6.0804996	1-(3-Aminopropyl)-4-aminobutanal [ C7 H16 N2 O, overall=77.51, db=77.51, CAS ID=, KEGG ID=, METLIN ID=62806, HMP ID=HMDB12135 ]			1-(3-Aminopropyl)-4-aminobutanal +6.0804996	+	144.1261	6.0804996	77.51		(167.1145, 1164.74)(145.1334, 55410.99)(146.1431, 4742.85)	FindByMolecularFeature	C7 H16 N2 O	2	HMDB12135
1,2-Epoxypropane +1.1515	1,2-Epoxypropane [ C3 H6 O, overall=47.59, db=47.59, CAS ID=75-56-9, KEGG ID=C15508, METLIN ID=70953 ]	75-56-9		1,2-Epoxypropane +1.1515	+	58.042	1.1515	47.59	C15508	(59.0492, 1580.63)(117.0911, 1269.58)	FindByMolecularFeature	C3 H6 O	2
10,11-Dihydro-10,11-dihydroxyprotriptyline	10,11-Dihydro-10,11-dihydroxyprotriptyline [ C19 H23 N O2, overall=55.59, db=55.59, CAS ID=29785-65-7, METLIN ID=2188 ]	29785-65-7		10,11-Dihydro-10,11-dihydroxyprotriptyline	+	297.171	1.54	55.59		(298.1733, 1013.18)(595.349, 1758.59)(596.3554, 1135.75)(597.3635, 2056.22)(598.3687, 753.87)	FindByMolecularFeature	C19 H23 N O2	2
1026.5558@1.0764999				1026.5558@1.0764999	+	1026.5558	1.0764999			(1027.5631, 1689.54)(1028.5665, 1649.54)	FindByMolecularFeature		2
1035.5602@1.166				1035.5602@1.166	+	1035.5602	1.166			(1036.5674, 3391.05)(1037.5715, 2132.55)	FindByMolecularFeature		2
1041.7926@5.7085				1041.7926@5.7085	+	1041.7926	5.7085			(1042.7998, 7075.67)(1043.8033, 1065.42)	FindByMolecularFeature		2
1048.8019@5.6940002				1048.8019@5.6940002	+	1048.8019	5.6940002			(1049.8082, 2208.29)(1050.8083, 680.2)	FindByMolecularFeature		2
1058.2583@1.01				1058.2583@1.01	+	1058.2583	1.01			(1059.2659, 2663.55)(1060.2611, 1815.62)(1061.26, 1160.8)	FindByMolecularFeature		2
1063.0277@13.421				1063.0277@13.421	+	1063.0277	13.421			(1064.0348, 1332.86)(1065.0352, 1057.76)	FindByMolecularFeature		2
1076.2946@1.0074999				1076.2946@1.0074999	+	1076.2946	1.0074999			(1077.3018, 4265.54)(1078.3011, 1992.81)	FindByMolecularFeature		2
109.0011@7.402				109.0011@7.402	+	109.0011	7.402			(110.0084, 4332.4)(111.0101, 689.02)(112.0066, 1409.54)	FindByMolecularFeature		2
10-Carboxy-13-deoxycarminomycin	10-Carboxy-13-deoxycarminomycin [ C27 H29 N O11, overall=90.14, db=90.14, CAS ID=97583-07-8, KEGG ID=C12427, METLIN ID=63791 ]	97583-07-8		10-Carboxy-13-deoxycarminomycin	+	565.158	1.004	90.14	C12427	(566.1642, 5708.04)(567.1667, 1658.54)(568.168, 699.69)	FindByMolecularFeature	C27 H29 N O11	2
10-Desacetyltaxuyunnanin C	10-Desacetyltaxuyunnanin C [ C26 H38 O7, overall=87.84, db=87.84, KEGG ID=C15538, METLIN ID=70959 ]			10-Desacetyltaxuyunnanin C	+	462.2623	1.5785	87.84	C15538	(463.2696, 3112.36)(464.2727, 973.21)(465.2826, 267.14)	FindByMolecularFeature	C26 H38 O7	2
10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid +1.286	10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid [ C12 H20 O3, overall=44.03, db=44.03, Lipid ID=LMFA01030787, METLIN ID=45792 ]			10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid +1.286	+	212.1416	1.286	44.03		(213.1483, 1162.54)(442.3168, 1086.04)(425.2904, 2244.1)(426.2893, 1648.5)	FindByMolecularFeature	C12 H20 O3	2		LMFA01030787
10-Hydroxymorroniside +6.0585003	10-Hydroxymorroniside [ C17 H26 O12, overall=60.90, db=60.90, KEGG ID=C11660, METLIN ID=69148 ]			10-Hydroxymorroniside +6.0585003	+	422.1392	6.0585003	60.9	C11660	(423.1465, 5213.64)(424.1543, 955.63)	FindByMolecularFeature	C17 H26 O12	2
1116.7866@5.689				1116.7866@5.689	+	1116.7866	5.689			(1117.7938, 2195.05)(1118.7959, 704.88)	FindByMolecularFeature		2
1153.5898@1.024				1153.5898@1.024	+	1153.5898	1.024			(1154.597, 3210.85)(1155.6018, 2677.95)(1156.6038, 1357.73)	FindByMolecularFeature		2
1191.7826@5.69				1191.7826@5.69	+	1191.7826	5.69			(1192.7906, 1927.28)(1193.7928, 752.02)	FindByMolecularFeature		2
11-beta-hydroxyandrosterone-3-glucuronide	11-beta-hydroxyandrosterone-3-glucuronide [ C25 H38 O9, overall=75.75, db=75.75, KEGG ID=C03033, METLIN ID=61667, HMP ID=HMDB10351 ]			11-beta-hydroxyandrosterone-3-glucuronide	+	482.2508	2.8795	75.75	C03033	(505.2397, 1278.41)(483.2581, 2858.91)(484.263, 874.05)	FindByMolecularFeature	C25 H38 O9	2	HMDB10351
11H-Benz[bc]aceanthrylene	11H-Benz[bc]aceanthrylene [ C19 H12, overall=90.83, db=90.83, CAS ID=202-94-8, KEGG ID=C19335, METLIN ID=73041 ]	202-94-8		11H-Benz[bc]aceanthrylene	+	262.0747	1.1105	90.83	C19335	(263.082, 82093.17)(264.0852, 15144.49)(265.0991, 2211.41)	FindByMolecularFeature	C19 H12	2
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +1.3325	11-hydroperoxy-12,13-epoxy-9-octadecenoic acid [ C18 H32 O5, overall=70.05, db=70.05, METLIN ID=35354 ]			11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +1.3325	+	328.2251	1.3325	70.05		(351.215, 1975.97)(329.2321, 5733.72)(330.2381, 1540.43)	FindByMolecularFeature	C18 H32 O5	2
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +1.3794999	11-hydroperoxy-12,13-epoxy-9-octadecenoic acid [ C18 H32 O5, overall=57.80, db=57.80, METLIN ID=35354 ]			11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +1.3794999	+	328.2252	1.3794999	57.8		(329.2323, 7195.2)(330.2387, 2375.7)	FindByMolecularFeature	C18 H32 O5	2
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +1.6285	11-hydroperoxy-12,13-epoxy-9-octadecenoic acid [ C18 H32 O5, overall=48.99, db=48.99, METLIN ID=35354 ]			11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +1.6285	+	328.2246	1.6285	48.99		(329.2318, 3155.65)(330.2433, 1057.95)	FindByMolecularFeature	C18 H32 O5	2
11-Methyl-9Z,12-tridecadienyl acetate +1.222	11-Methyl-9Z,12-tridecadienyl acetate [ C16 H28 O2, overall=38.80, db=38.80, Lipid ID=LMFA05000328, METLIN ID=46279 ]			11-Methyl-9Z,12-tridecadienyl acetate +1.222	+	269.2353	1.222	38.8		(270.2426, 2882.65)(271.2411, 1493.11)	FindByMolecularFeature	C16 H28 O2	2		LMFA05000328
11Z-Eicosenal +6.7185	11Z-Eicosenal [ C20 H38 O, overall=74.31, db=74.31, Lipid ID=LMFA06000248, METLIN ID=46533 ]			11Z-Eicosenal +6.7185	+	316.2728	6.7185	74.31		(317.2795, 4883.37)(318.2839, 1022.79)	FindByMolecularFeature	C20 H38 O	2		LMFA06000248
12,15-epoxy-13,14-dimethyleicosa-12,14-dienoic acid	12,15-epoxy-13,14-dimethyleicosa-12,14-dienoic acid [ C22 H38 O3, overall=56.86, db=56.86, Lipid ID=LMFA01150002, METLIN ID=45904 ]			12,15-epoxy-13,14-dimethyleicosa-12,14-dienoic acid	+	350.2808	1.1105	56.86		(351.2893, 2218.59)(352.2802, 1221.32)(368.3147, 2705.16)(369.3168, 1066.17)	FindByMolecularFeature	C22 H38 O3	2		LMFA01150002
1203.3054@1.063				1203.3054@1.063	+	1203.3054	1.063			(1204.3126, 2083.85)(1205.3138, 2665.29)(1206.3127, 2145.43)	FindByMolecularFeature		2
1209.6162@1.021				1209.6162@1.021	+	1209.6162	1.021			(1210.6235, 1854.69)(1211.627, 1710.6)	FindByMolecularFeature		2
1221.8387@0.999				1221.8387@0.999	+	1221.8387	0.999			(1222.8488, 1740.75)(1223.849, 1700.58)(1224.8518, 840.24)	FindByMolecularFeature		2
1275.3438@1.225				1275.3438@1.225	+	1275.3438	1.225			(1276.351, 2426.49)(1277.352, 2603.1)(1278.3511, 3165.06)(1279.3505, 2232.97)(1280.3491, 1420.35)	FindByMolecularFeature		2
1279.7466@5.6975				1279.7466@5.6975	+	1279.7466	5.6975			(1280.757, 1820.42)(1281.7539, 913.22)	FindByMolecularFeature		2
1286.755@5.696				1286.755@5.696	+	1286.755	5.696			(1287.7623, 1691.44)(1288.7639, 865.47)	FindByMolecularFeature		2
1289.622@1.0355				1289.622@1.0355	+	1289.622	1.0355			(1290.6293, 4775.75)(1291.6302, 4137.48)(1292.6349, 1510.16)	FindByMolecularFeature		2
12-Hydroxybenzo[a]pyrene	12-Hydroxybenzo[a]pyrene [ C20 H12 O, overall=81.66, db=81.66, CAS ID=56892-33-2, KEGG ID=C14563, METLIN ID=70158 ]	56892-33-2		12-Hydroxybenzo[a]pyrene	+	285.1149	4.6724997	81.66	C14563	(286.1222, 9137.52)(287.1258, 1600.12)	FindByMolecularFeature	C20 H12 O	2
12-Methoxy-4,4-Bisnor-5?-8,11,13-Podocarpatrien-3-Ol	12-Methoxy-4,4-Bisnor-5?-8,11,13-Podocarpatrien-3-Ol [ C16 H22 O2, overall=76.99, db=76.99, CAS ID=, METLIN ID=44255 ]			12-Methoxy-4,4-Bisnor-5?-8,11,13-Podocarpatrien-3-Ol	+	268.1439	1.3205	76.99		(269.1511, 6256.64)(270.1571, 1306.53)	FindByMolecularFeature	C16 H22 O2	2
12R-acetoxy-7Z-punaglandin 3	12R-acetoxy-7Z-punaglandin 3 [ C27 H35 Cl O9, overall=43.85, db=43.85, Lipid ID=LMFA03120036, METLIN ID=36419 ]			12R-acetoxy-7Z-punaglandin 3	+	560.1762	1.0044999	43.85		(561.1838, 3724.66)(562.1854, 1515.85)	FindByMolecularFeature	C27 H35 Cl O9	2		LMFA03120036
13,17-octadecadiynoic acid	13,17-octadecadiynoic acid [ C18 H28 O2, overall=85.38, db=85.38, METLIN ID=35205 ]			13,17-octadecadiynoic acid	+	276.2086	1.34	85.38		(277.2158, 4576.06)(278.2189, 863.15)	FindByMolecularFeature	C18 H28 O2	2
1323.6729@0.97749996				1323.6729@0.97749996	+	1323.6729	0.97749996			(1324.68, 1712.59)(1325.6849, 2779.43)(1326.6862, 740.93)	FindByMolecularFeature		2
1324.176@0.97650003				1324.176@0.97650003	+	1324.176	0.97650003			(1325.1836, 3370.78)(1326.1833, 1866.57)	FindByMolecularFeature		2
134.1607@5.672				134.1607@5.672	+	134.1607	5.672			(135.1682, 22889.04)(136.1648, 1832.56)	FindByMolecularFeature		2
1350.3625@1.3305				1350.3625@1.3305	+	1350.3625	1.3305			(1351.3698, 2383.05)(1352.37, 2563.18)(1353.3683, 1670.8)	FindByMolecularFeature		2
1354.7443@5.69				1354.7443@5.69	+	1354.7443	5.69			(1355.7515, 1396.82)(1356.7495, 849.2)	FindByMolecularFeature		2
1368.3729@1.0209999				1368.3729@1.0209999	+	1368.3729	1.0209999			(1369.3802, 1811.12)(1370.38, 1931.96)(1371.3787, 1671.99)(1372.3801, 933.76)	FindByMolecularFeature		2
13-Deoxytedanolide	13-Deoxytedanolide [ C32 H50 O10, overall=71.61, db=71.61, CAS ID=134455-11-1, KEGG ID=C16861, METLIN ID=71393 ]	134455-11-1		13-Deoxytedanolide	+	616.3221	1.4784999	71.61	C16861	(617.3294, 3719.1)(618.3337, 1454.94)	FindByMolecularFeature	C32 H50 O10	2
13H-Dibenzo[a,g]fluorene	13H-Dibenzo[a,g]fluorene [ C21 H14, overall=79.04, db=79.04, CAS ID=207-83-0, KEGG ID=C19391, METLIN ID=73094 ]	207-83-0		13H-Dibenzo[a,g]fluorene	+	283.1356	7.8645	79.04	C19391	(284.1429, 35855.45)(285.146, 6355.41)(286.1419, 2209.1)	FindByMolecularFeature	C21 H14	2
13-tetradecen-2,4-diyn-1-ol	13-tetradecen-2,4-diyn-1-ol [ C14 H20 O, overall=60.97, db=60.97, Lipid ID=LMFA05000016, METLIN ID=36473 ]			13-tetradecen-2,4-diyn-1-ol	+	226.1326	1.472	60.97		(227.14, 8501.38)(228.152, 1500.06)(229.1438, 1372.44)	FindByMolecularFeature	C14 H20 O	2		LMFA05000016
141.9311@7.8710003				141.9311@7.8710003	+	141.9311	7.8710003			(164.9203, 1328.97)(142.9386, 1693.95)	FindByMolecularFeature		2
142.1105@5.0985003				142.1105@5.0985003	+	142.1105	5.0985003			(143.1178, 13788.02)(144.1184, 3592.47)	FindByMolecularFeature		2
1441.3909@1.0374999				1441.3909@1.0374999	+	1441.3909	1.0374999			(1442.4005, 935.12)(1443.3955, 1185.74)(1444.3966, 1404.31)(1445.3995, 1290.52)(1446.3948, 894.66)	FindByMolecularFeature		2
1493.7573@1.01				1493.7573@1.01	+	1493.7573	1.01			(1494.7646, 5412.64)(1495.7682, 5358.13)(1496.7701, 3011.43)(1497.7701, 948.04)	FindByMolecularFeature		2
15(S)-Latanoprost	15(S)-Latanoprost [ C26 H40 O5, overall=58.28, db=58.28, CAS ID=145773-22-4, METLIN ID=45714 ]	145773-22-4		15(S)-Latanoprost	+	432.2865	1.332	58.28		(433.2938, 2785.18)(434.2921, 899.1)(450.3208, 960.44)	FindByMolecularFeature	C26 H40 O5	2
15-octadecene-9,11,13-triynoic acid	15-octadecene-9,11,13-triynoic acid [ C15 H18 O2, overall=67.08, db=67.08, METLIN ID=35213 ]			15-octadecene-9,11,13-triynoic acid	+	252.112	2.802	67.08		(253.1192, 3821.03)(254.1212, 955.6)	FindByMolecularFeature	C15 H18 O2	2
15-octadecene-9,11,13-triynoic acid +1.3425	15-octadecene-9,11,13-triynoic acid [ C15 H18 O2, overall=38.23, db=38.23, METLIN ID=35213 ]			15-octadecene-9,11,13-triynoic acid +1.3425	+	230.1312	1.3425	38.23		(231.1384, 5032.32)(232.1492, 1553.91)	FindByMolecularFeature	C15 H18 O2	2
1653.6783@5.6965				1653.6783@5.6965	+	1653.6783	5.6965			(1654.6855, 1279.56)(1655.6871, 725.83)	FindByMolecularFeature		2
16-Feruloyloxypalmitate	16-Feruloyloxypalmitate [ C26 H40 O6, overall=69.53, db=69.53, KEGG ID=C18217, METLIN ID=72077 ]			16-Feruloyloxypalmitate	+	448.2824	1.5799999	69.53	C18217	(449.2897, 7016.56)(450.2933, 2848.12)(451.3009, 1444.02)	FindByMolecularFeature	C26 H40 O6	2
16-Feruloyloxypalmitate +1.3405	16-Feruloyloxypalmitate [ C26 H40 O6, overall=63.31, db=63.31, KEGG ID=C18217, METLIN ID=72077 ]			16-Feruloyloxypalmitate +1.3405	+	448.2822	1.3405	63.31	C18217	(449.2895, 2529.11)(450.2952, 1025.8)(466.3131, 925.01)	FindByMolecularFeature	C26 H40 O6	2
16-fluoro-hexadecanoic acid	16-fluoro-hexadecanoic acid [ C16 H31 F O2, overall=51.72, db=51.72, KEGG ID=C13948, METLIN ID=35910 ]			16-fluoro-hexadecanoic acid	+	274.232	1.0805	51.72	C13948	(275.2393, 2839.4)(276.2378, 1073.81)	FindByMolecularFeature	C16 H31 F O2	2
17beta-Hydroxy-2-oxa-5alpha-androstan-3-one	17beta-Hydroxy-2-oxa-5alpha-androstan-3-one [ C18 H28 O3, overall=71.76, db=71.76, KEGG ID=C14911, METLIN ID=70413 ]			17beta-Hydroxy-2-oxa-5alpha-androstan-3-one	+	292.2039	1.3794999	71.76	C14911	(293.2111, 9907.22)(294.2149, 2917.72)	FindByMolecularFeature	C18 H28 O3	2
17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate	17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate [ C24 H34 O4 S, overall=82.89, db=82.89, KEGG ID=C15180, METLIN ID=70670 ]			17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate	+	418.2205	1.2385	82.89	C15180	(441.2094, 3303.59)(442.2121, 955.85)(419.2287, 2411.76)(436.2542, 10287.19)(437.2576, 3075.31)(438.2557, 966.33)	FindByMolecularFeature	C24 H34 O4 S	2
17beta-Methylestra-1,3,5(10)-trien-3-ol +4.5179996	17beta-Methylestra-1,3,5(10)-trien-3-ol [ C19 H26 O, overall=78.15, db=78.15, KEGG ID=C15020, METLIN ID=70515 ]			17beta-Methylestra-1,3,5(10)-trien-3-ol +4.5179996	+	292.1788	4.5179996	78.15	C15020	(293.1865, 3915.92)(294.1928, 812.78)	FindByMolecularFeature	C19 H26 O	2
17-hydroxyandrostane-3-glucuronide +2.4515	17-hydroxyandrostane-3-glucuronide [ C25 H40 O9, overall=75.81, db=75.81, Lipid ID=LMST05010036, METLIN ID=57954 ]			17-hydroxyandrostane-3-glucuronide +2.4515	+	501.2934	2.4515	75.81		(502.3007, 6086.29)(503.3043, 1973.58)	FindByMolecularFeature	C25 H40 O9	2		LMST05010036
17-phenyl trinor PGF2? cyclohexyl amide	17-phenyl trinor PGF2? cyclohexyl amide [ C29 H43 N O4, overall=58.74, db=58.74, METLIN ID=64899 ]			17-phenyl trinor PGF2? cyclohexyl amide	+	469.3216	1.8375	58.74		(470.3289, 4331.08)(471.3334, 1664.38)	FindByMolecularFeature	C29 H43 N O4	2
189.1354@4.7945004				189.1354@4.7945004	+	189.1354	4.7945004			(190.1431, 3314.11)(191.1518, 33.67)(192.1405, 1834.9)	FindByMolecularFeature		2
199.989@6.9495				199.989@6.9495	+	199.989	6.9495			(200.9963, 3232.4)(201.9967, 1074.49)	FindByMolecularFeature		2
19-Oxo-9-cis-retinoic acid	19-Oxo-9-cis-retinoic acid [ C20 H26 O3, overall=59.78, db=59.78, Lipid ID=LMPR01090031, METLIN ID=41522 ]			19-Oxo-9-cis-retinoic acid	+	314.188	1.1489999	59.78		(337.1748, 2755.29)(315.1952, 2799.77)(316.1966, 1004.43)	FindByMolecularFeature	C20 H26 O3	2		LMPR01090031
1a,1b-dihomo-PGE1 +1.338	1a,1b-dihomo-PGE1 [ C22 H38 O5, overall=69.61, db=69.61, Lipid ID=LMFA03010108, METLIN ID=36171 ]			1a,1b-dihomo-PGE1 +1.338	+	399.2977	1.338	69.61		(400.305, 3049.57)(401.3069, 977.04)	FindByMolecularFeature	C22 H38 O5	2		LMFA03010108
1-amino-3,3-diethoxypropane	1-amino-3,3-diethoxypropane [ C7 H17 N O2, overall=85.87, db=85.87, METLIN ID=85016 ]			1-amino-3,3-diethoxypropane	+	147.1256	6.0284996	85.87		(148.1328, 12223.66)(149.1365, 1159.75)	FindByMolecularFeature	C7 H17 N O2	2
1-Aminocyclohexanecarboxylic acid +8.2985	1-Aminocyclohexanecarboxylic acid [ C7 H13 N O2, overall=72.21, db=72.21, CAS ID=2756-85-6, METLIN ID=6589, HMP ID=HMDB02279 ]	2756-85-6		1-Aminocyclohexanecarboxylic acid +8.2985	+	143.0949	8.2985	72.21		(144.1022, 6981.93)(145.1049, 1133.98)	FindByMolecularFeature	C7 H13 N O2	2	HMDB02279
1-Fluorocyclohexadiene-cis,cis-1,2-diol	1-Fluorocyclohexadiene-cis,cis-1,2-diol [ C6 H7 F O2, overall=54.98, db=54.98, KEGG ID=C16484, METLIN ID=71225 ]			1-Fluorocyclohexadiene-cis,cis-1,2-diol	+	147.0689	1.2925	54.98	C16484	(148.0762, 7014.86)(149.0853, 1343.02)	FindByMolecularFeature	C6 H7 F O2	2
1-Hexadecylamine +3.8715	1-Hexadecylamine [ C16 H35 N, overall=94.89, db=94.89, CAS ID=143-27-1, METLIN ID=4110 ]	143-27-1		1-Hexadecylamine +3.8715	+	241.2773	3.8715	94.89		(242.2845, 41632.56)(243.2881, 9430.39)(244.2914, 768.33)	FindByMolecularFeature	C16 H35 N	2
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide	1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide [ C12 H15 N O, overall=75.94, db=75.94, KEGG ID=C04731, METLIN ID=66251 ]			1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide	+	211.0957	7.1365004	75.94	C04731	(212.103, 6592.05)(213.1148, 826.3)	FindByMolecularFeature	C12 H15 N O	2
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide +4.196	1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide [ C12 H15 N O, overall=63.45, db=63.45, KEGG ID=C04731, METLIN ID=66251 ]			1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide +4.196	+	211.0968	4.196	63.45	C04731	(212.1033, 3593.28)(213.1087, 799.96)	FindByMolecularFeature	C12 H15 N O	2
1-NBD-decanoyl-2-decanoyl-sn-Glycerol	1-NBD-decanoyl-2-decanoyl-sn-Glycerol [ C29 H46 N4 O8, overall=50.54, db=50.54, METLIN ID=62997 ]			1-NBD-decanoyl-2-decanoyl-sn-Glycerol	+	600.315	1.903	50.54		(601.3223, 3535.94)(602.3307, 1390.18)	FindByMolecularFeature	C29 H46 N4 O8	2
1-NBD-decanoyl-2-decanoyl-sn-Glycerol +3.251	1-NBD-decanoyl-2-decanoyl-sn-Glycerol [ C29 H46 N4 O8, overall=84.14, db=84.14, METLIN ID=62997 ]			1-NBD-decanoyl-2-decanoyl-sn-Glycerol +3.251	+	600.3156	3.251	84.14		(601.3229, 8900.84)(602.3275, 3120.39)(603.3324, 750.04)	FindByMolecularFeature	C29 H46 N4 O8	2
1-Nitro-5,6-dihydroxy-dihydronaphthalene +1.8775	1-Nitro-5,6-dihydroxy-dihydronaphthalene [ C10 H9 N O4, overall=84.77, db=84.77, KEGG ID=C14801, METLIN ID=70333 ]			1-Nitro-5,6-dihydroxy-dihydronaphthalene +1.8775	+	207.0538	1.8775	84.77	C14801	(230.0427, 4065.54)(437.0933, 910.21)(208.0611, 29827.94)(209.0644, 3685.79)	FindByMolecularFeature	C10 H9 N O4	2
1-Octadecanamine +3.8815	1-Octadecanamine [ C18 H39 N, overall=58.19, db=58.19, CAS ID=124-30-1, METLIN ID=24042 ]	124-30-1		1-Octadecanamine +3.8815	+	269.308	3.8815	58.19		(270.3153, 3106.95)(271.3196, 1587.02)	FindByMolecularFeature	C18 H39 N	2
2-(5'-Methylthio)pentylmalic acid	2-(5'-Methylthio)pentylmalic acid [ C10 H18 O5 S, overall=46.04, db=46.04, CAS ID=, KEGG ID=C17222, METLIN ID=64501 ]			2-(5'-Methylthio)pentylmalic acid	+	267.113	1.706	46.04	C17222	(268.1203, 3011.22)(269.1302, 1248.87)	FindByMolecularFeature	C10 H18 O5 S	2
2-(beta-D-Glucosyl)-sn-glycerol	2-(beta-D-Glucosyl)-sn-glycerol [ C9 H18 O8, overall=46.57, db=46.57, KEGG ID=C11546, METLIN ID=69092 ]			2-(beta-D-Glucosyl)-sn-glycerol	+	254.1008	3.264	46.57	C11546	(277.0899, 5586.14)(255.1094, 1244.96)(272.1346, 1778.4)	FindByMolecularFeature	C9 H18 O8	2
2-(N-morpholino)ethanesulfonic acid +2.368	2-(N-morpholino)ethanesulfonic acid [ C6 H13 N O4 S, overall=47.19, db=47.19, CAS ID=4432-31-9, METLIN ID=44696 ]	4432-31-9		2-(N-morpholino)ethanesulfonic acid +2.368	+	195.0563	2.368	47.19		(196.0641, 7643.21)(213.0901, 1121.98)	FindByMolecularFeature	C6 H13 N O4 S	2
2,3,3-Triphenylacrylonitrile	2,3,3-Triphenylacrylonitrile [ C21 H15 N, overall=78.27, db=78.27, CAS ID=6304-33-2, KEGG ID=C14599, METLIN ID=70192 ]	6304-33-2		2,3,3-Triphenylacrylonitrile	+	149.0734	7.7005	78.27	C14599	(150.0809, 485604.38)(151.0804, 29619.43)(152.0788, 1090.65)(299.1539, 1910013.6)(300.1569, 294789.78)(301.1525, 88044.11)(302.1537, 13827.58)(303.1564, 1386.42)	FindByMolecularFeature	C21 H15 N	2
2,3,3-Triphenylacrylonitrile +8.0605	2,3,3-Triphenylacrylonitrile [ C21 H15 N, overall=76.12, db=76.12, CAS ID=6304-33-2, KEGG ID=C14599, METLIN ID=70192 ]	6304-33-2		2,3,3-Triphenylacrylonitrile +8.0605	+	149.0733	8.0605	76.12	C14599	(150.0808, 82889.3)(151.0813, 5780.44)(299.1538, 169638.55)(300.1567, 25837.67)(301.1527, 8982.34)	FindByMolecularFeature	C21 H15 N	2
2,3-Dihydroxynaphthalene	2,3-Dihydroxynaphthalene [ C10 H8 O2, overall=84.91, db=84.91, CAS ID=92-44-4, KEGG ID=C16213, METLIN ID=71154 ]	92-44-4		2,3-Dihydroxynaphthalene	+	177.0791	7.219	84.91	C16213	(178.0864, 8496.95)(179.0902, 1162.27)	FindByMolecularFeature	C10 H8 O2	2
2,3-dinor Thromboxane B1 +1.2349999	2,3-dinor Thromboxane B1 [ C18 H32 O6, overall=76.98, db=76.98, METLIN ID=44923 ]			2,3-dinor Thromboxane B1 +1.2349999	+	361.2464	1.2349999	76.98		(362.2537, 7103.91)(363.2552, 1742.47)	FindByMolecularFeature	C18 H32 O6	2
2,3-dinor Thromboxane B1 +1.2355	2,3-dinor Thromboxane B1 [ C18 H32 O6, overall=79.47, db=79.47, METLIN ID=44923 ]			2,3-dinor Thromboxane B1 +1.2355	+	344.2204	1.2355	79.47		(367.2095, 2805.69)(368.2127, 803.99)(345.2285, 2311.78)(346.2267, 809.8)(362.254, 7520.44)(363.2554, 1713.45)	FindByMolecularFeature	C18 H32 O6	2
2,3-dinor Thromboxane B1 +1.391	2,3-dinor Thromboxane B1 [ C18 H32 O6, overall=84.14, db=84.14, METLIN ID=44923 ]			2,3-dinor Thromboxane B1 +1.391	+	344.2201	1.391	84.14		(367.2094, 24564.61)(368.2126, 5229.58)(345.2274, 63524.34)(346.2308, 13421.54)(362.254, 15049.38)(363.2564, 3688.57)	FindByMolecularFeature	C18 H32 O6	2
2,3-Dinor-6-keto-prostaglandin F1 a	2,3-Dinor-6-keto-prostaglandin F1 a [ C18 H30 O6, overall=67.26, db=67.26, METLIN ID=58112, HMP ID=HMDB02277 ]			2,3-Dinor-6-keto-prostaglandin F1 a	+	342.2056	1.2535	67.26		(365.1948, 1242.48)(343.2127, 1180.16)(360.239, 2301.88)(361.2408, 697.97)	FindByMolecularFeature	C18 H30 O6	2	HMDB02277
2,3-Diphenyl-1-indanone	2,3-Diphenyl-1-indanone [ C21 H14 O, overall=78.60, db=78.60, CAS ID=1801-42-9, KEGG ID=C14657, METLIN ID=70239 ]	1801-42-9		2,3-Diphenyl-1-indanone	+	299.1302	6.9049997	78.6	C14657	(300.1375, 22694.04)(301.1408, 4078.23)(302.1369, 1422.27)	FindByMolecularFeature	C21 H14 O	2
2,4-Dichlorophenoxybutyric Acid, Methyl Ester	2,4-Dichlorophenoxybutyric Acid, Methyl Ester [ C11 H12 Cl2 O3, overall=50.07, db=50.07, METLIN ID=44555 ]			2,4-Dichlorophenoxybutyric Acid, Methyl Ester	+	279.0416	0.79050004	50.07		(280.0488, 11126.85)(281.0539, 1175.18)	FindByMolecularFeature	C11 H12 Cl2 O3	2
213.1232@6.6795				213.1232@6.6795	+	213.1232	6.6795			(214.1305, 10290.73)(215.1388, 4866.19)	FindByMolecularFeature		2
234.1844@8.5475				234.1844@8.5475	+	234.1844	8.5475			(235.1917, 2179.82)(236.1947, 725.45)	FindByMolecularFeature		2
26-Hydroxybrassinolide +1.479	26-Hydroxybrassinolide [ C28 H48 O7, overall=55.69, db=55.69, KEGG ID=C19874, METLIN ID=73406 ]			26-Hydroxybrassinolide +1.479	+	496.3391	1.479	55.69	C19874	(519.3282, 873.39)(497.3471, 1860.26)(498.3478, 906.61)	FindByMolecularFeature	C28 H48 O7	2
2-amino-14,16-dimethyloctadecan-3-ol +1.1455	2-amino-14,16-dimethyloctadecan-3-ol [ C20 H43 N O, overall=76.32, db=76.32, Lipid ID=LMSP01080031, METLIN ID=53931 ]			2-amino-14,16-dimethyloctadecan-3-ol +1.1455	+	335.3154	1.1455	76.32		(336.3227, 10650.88)(337.3257, 2957.22)	FindByMolecularFeature	C20 H43 N O	2		LMSP01080031
2-Amino-2-methyl-1-propanol +5.7185	2-Amino-2-methyl-1-propanol [ C4 H11 N O, overall=81.42, db=81.42, CAS ID=124-68-5, METLIN ID=4136 ]	124-68-5		2-Amino-2-methyl-1-propanol +5.7185	+	89.0841	5.7185	81.42		(90.0913, 33315.76)(91.0949, 2964.25)	FindByMolecularFeature	C4 H11 N O	2
2-Amino-3-methyl-9H-pyrido[2,3-b]indole	2-Amino-3-methyl-9H-pyrido[2,3-b]indole [ C12 H11 N3, overall=71.40, db=71.40, CAS ID=68006-83-7, KEGG ID=C19253, METLIN ID=72973 ]	68006-83-7		2-Amino-3-methyl-9H-pyrido[2,3-b]indole	+	214.1206	1.3855	71.4	C19253	(215.1278, 3927.27)(216.1294, 727.18)	FindByMolecularFeature	C12 H11 N3	2
2-amino-4'-hydroxy-Propiophenone +2.058	2-amino-4'-hydroxy-Propiophenone [ C9 H11 N O2, overall=71.72, db=71.72, CAS ID=18259-42-2, METLIN ID=2018 ]	18259-42-2		2-amino-4'-hydroxy-Propiophenone +2.058	+	182.1061	2.058	71.72		(183.1133, 8410.12)(184.1157, 1594.93)	FindByMolecularFeature	C9 H11 N O2	2
2-glyceryl-PGF2?	2-glyceryl-PGF2? [ C23 H40 O7, overall=68.68, db=68.68, Lipid ID=LMFA03010182, METLIN ID=36229 ]			2-glyceryl-PGF2?	+	445.303	6.696	68.68		(446.3103, 3688.27)(447.314, 1308.97)	FindByMolecularFeature	C23 H40 O7	2		LMFA03010182
2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-methoxy-	2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-methoxy- [ C12 H12 O6, overall=70.17, db=70.17, CAS ID=75567-55-4, METLIN ID=1212 ]	75567-55-4		2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-methoxy-	+	269.0905	1.73	70.17		(270.0978, 6173.58)(271.0999, 1375.98)	FindByMolecularFeature	C12 H12 O6	2
2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-methoxy- +6.837	2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-methoxy- [ C12 H12 O6, overall=56.97, db=56.97, CAS ID=75567-55-4, METLIN ID=1212 ]	75567-55-4		2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-methoxy- +6.837	+	269.0901	6.837	56.97		(270.0974, 4268.33)(271.1042, 1049.38)	FindByMolecularFeature	C12 H12 O6	2
2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-methoxy- +7.1365004	2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-methoxy- [ C12 H12 O6, overall=84.43, db=84.43, CAS ID=75567-55-4, METLIN ID=1212 ]	75567-55-4		2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-methoxy- +7.1365004	+	269.09	7.1365004	84.43		(270.0973, 4445.87)(271.101, 706.43)	FindByMolecularFeature	C12 H12 O6	2
2-Hexylglycerol	2-Hexylglycerol [ C9 H20 O3, overall=82.35, db=82.35, Lipid ID=LMGL01020029, METLIN ID=46622 ]			2-Hexylglycerol	+	176.1414	1.178	82.35		(199.1319, 1296.7)(177.1486, 21158.22)(178.153, 2438.93)(179.1431, 1123.93)(194.1752, 1670.37)	FindByMolecularFeature	C9 H20 O3	2		LMGL01020029
2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone +1.5135	2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone [ C20 H20 O8, overall=68.07, db=68.07, Lipid ID=LMPK12111611, METLIN ID=50029 ]			2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone +1.5135	+	388.1165	1.5135	68.07		(389.1237, 2361.16)(390.126, 764.34)(406.1489, 2164.29)	FindByMolecularFeature	C20 H20 O8	2		LMPK12111611
2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone +2.1165	2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone [ C20 H20 O8, overall=79.68, db=79.68, Lipid ID=LMPK12111611, METLIN ID=50029 ]			2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone +2.1165	+	405.1422	2.1165	79.68		(406.1495, 3172.9)(407.1525, 827.0)	FindByMolecularFeature	C20 H20 O8	2		LMPK12111611
2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone +2.598	2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone [ C20 H20 O8, overall=47.46, db=47.46, Lipid ID=LMPK12111611, METLIN ID=50029 ]			2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone +2.598	+	388.1159	2.598	47.46		(389.1227, 1276.95)(406.1494, 2044.01)	FindByMolecularFeature	C20 H20 O8	2		LMPK12111611
2-hydroxy-heptadecanoic acid	2-hydroxy-heptadecanoic acid [ C17 H34 O3, overall=43.98, db=43.98, Lipid ID=LMFA01050052, METLIN ID=74499 ]			2-hydroxy-heptadecanoic acid	+	286.2497	1.118	43.98		(309.239, 1665.7)(287.2586, 1443.24)(304.285, 808.56)	FindByMolecularFeature	C17 H34 O3	2		LMFA01050052
2-Methoxyestradiol-17? 3-sulfate	2-Methoxyestradiol-17? 3-sulfate [ C19 H26 O6 S, overall=26.15, db=26.15, Lipid ID=LMST05020007, KEGG ID=C08359, METLIN ID=43187 ]			2-Methoxyestradiol-17? 3-sulfate	+	382.1479	6.557	26.15	C08359	(383.1556, 1145.57)(765.3005, 1592.94)	FindByMolecularFeature	C19 H26 O6 S	2		LMST05020007
2-methylbutanal oxime +8.576	2-methylbutanal oxime [ C5 H11 N O, overall=75.08, db=75.08, KEGG ID=C19491, METLIN ID=73185 ]			2-methylbutanal oxime +8.576	+	101.0852	8.576	75.08	C19491	(102.0913, 14128.14)(103.0878, 2186.92)(119.1193, 58945.99)(120.1223, 4084.33)	FindByMolecularFeature	C5 H11 N O	2
2-Naphthylalanine	2-Naphthylalanine [ C13 H13 N O2, overall=60.61, db=60.61, CAS ID=58438-03-2, METLIN ID=1387 ]	58438-03-2		2-Naphthylalanine	+	215.0951	5.086	60.61		(216.1024, 4464.59)(217.1053, 1464.68)	FindByMolecularFeature	C13 H13 N O2	2
2-O-Acetylpseudolycorine	2-O-Acetylpseudolycorine [ C18 H21 N O5, overall=75.03, db=75.03, KEGG ID=C12237, METLIN ID=69384 ]			2-O-Acetylpseudolycorine	+	331.1422	6.2105	75.03	C12237	(332.1491, 3559.0)(333.1559, 800.18)	FindByMolecularFeature	C18 H21 N O5	2
2-oxo-dodecanoic acid +1.188	2-oxo-dodecanoic acid [ C12 H22 O3, overall=51.71, db=51.71, METLIN ID=35780 ]			2-oxo-dodecanoic acid +1.188	+	231.1845	1.188	51.71		(232.1918, 3936.71)(233.187, 1131.26)	FindByMolecularFeature	C12 H22 O3	2
2-oxo-tetradecanoic acid +1.1325	2-oxo-tetradecanoic acid [ C14 H26 O3, overall=69.43, db=69.43, METLIN ID=35788 ]			2-oxo-tetradecanoic acid +1.1325	+	242.1881	1.1325	69.43		(507.3713, 1963.94)(243.1971, 2056.44)(260.2202, 601.37)(502.4097, 4754.18)(503.4117, 1767.15)	FindByMolecularFeature	C14 H26 O3	2
2-Piperidinecarboxamide, N-(3-hydroxy-2,6-dimethylphenyl)-, (S)-	2-Piperidinecarboxamide, N-(3-hydroxy-2,6-dimethylphenyl)-, (S)- [ C14 H20 N2 O2, overall=57.29, db=57.29, CAS ID=182878-70-2, METLIN ID=2384 ]	182878-70-2		2-Piperidinecarboxamide, N-(3-hydroxy-2,6-dimethylphenyl)-, (S)-	+	265.179	9.050501	57.29		(266.1863, 3029.92)(267.1876, 1061.53)	FindByMolecularFeature	C14 H20 N2 O2	2
2-propyl-tridecanoic acid	2-propyl-tridecanoic acid [ C16 H32 O2, overall=40.39, db=40.39, Lipid ID=LMFA01020165, METLIN ID=73616 ]			2-propyl-tridecanoic acid	+	256.242	1.1135	40.39		(279.2314, 1350.23)(257.2489, 1463.74)	FindByMolecularFeature	C16 H32 O2	2		LMFA01020165
2-Pyridyl hydroxymethane sulfonic acid +1.5120001	2-Pyridyl hydroxymethane sulfonic acid [ C6 H7 N O4 S, overall=66.24, db=66.24, KEGG ID=C11327, METLIN ID=68992 ]			2-Pyridyl hydroxymethane sulfonic acid +1.5120001	+	189.01	1.5120001	66.24	C11327	(211.9982, 682.37)(190.0173, 6668.05)(191.0222, 771.07)	FindByMolecularFeature	C6 H7 N O4 S	2
2-Pyridylethanol	2-Pyridylethanol [ C7 H9 N O, overall=63.10, db=63.10, CAS ID=103-74-2, METLIN ID=1310 ]	103-74-2		2-Pyridylethanol	+	123.0684	7.7015	63.1		(124.0755, 7482.61)(125.076, 1204.88)	FindByMolecularFeature	C7 H9 N O	2
2R-aminoheptanoic acid +1.8225	2R-aminoheptanoic acid [ C7 H15 N O2, overall=87.64, db=87.64, METLIN ID=35932 ]			2R-aminoheptanoic acid +1.8225	+	145.1102	1.8225	87.64		(146.1176, 9852.91)(147.1211, 775.76)	FindByMolecularFeature	C7 H15 N O2	2
2R-hydroxy-pentadecanoic acid	2R-hydroxy-pentadecanoic acid [ C15 H30 O3, overall=45.75, db=45.75, METLIN ID=35671 ]			2R-hydroxy-pentadecanoic acid	+	258.2196	1.1435001	45.75		(281.2089, 1507.93)(259.2268, 1742.88)(260.2264, 793.84)	FindByMolecularFeature	C15 H30 O3	2
2-undecenal	2-undecenal [ C11 H20 O, overall=23.61, db=23.61, Lipid ID=LMFA06000065, METLIN ID=75343 ]			2-undecenal	+	168.1522	1.1435	23.61		(191.1431, 2670.51)(169.1579, 1082.8)	FindByMolecularFeature	C11 H20 O	2		LMFA06000065
3-(1-Carboxyvinyloxy)anthranilate	3-(1-Carboxyvinyloxy)anthranilate [ C10 H9 N O5, overall=34.77, db=34.77, KEGG ID=C19686, METLIN ID=73296 ]			3-(1-Carboxyvinyloxy)anthranilate	+	223.0498	1.5395	34.77	C19686	(224.0574, 1164.42)(241.0835, 3119.41)(242.0919, 730.83)	FindByMolecularFeature	C10 H9 N O5	2
3-(1-Carboxyvinyloxy)anthranilate +2.365	3-(1-Carboxyvinyloxy)anthranilate [ C10 H9 N O5, overall=84.40, db=84.40, KEGG ID=C19686, METLIN ID=73296 ]			3-(1-Carboxyvinyloxy)anthranilate +2.365	+	223.0485	2.365	84.4	C19686	(224.0558, 8786.86)(225.0598, 1070.46)	FindByMolecularFeature	C10 H9 N O5	2
3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol +1.0705	3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol [ C24 H34 O, overall=67.40, db=67.40, KEGG ID=C14915, METLIN ID=70417 ]			3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol +1.0705	+	338.2624	1.0705	67.4	C14915	(339.2686, 4587.06)(340.2721, 1507.9)(341.2695, 892.88)	FindByMolecularFeature	C24 H34 O	2
3,5,7,2',4',5'-Hexamethoxyflavone	3,5,7,2',4',5'-Hexamethoxyflavone [ C21 H22 O8, overall=62.05, db=62.05, Lipid ID=LMPK12112532, METLIN ID=50947 ]			3,5,7,2',4',5'-Hexamethoxyflavone	+	402.1315	1.1935	62.05		(403.1388, 2709.53)(404.1428, 1100.57)	FindByMolecularFeature	C21 H22 O8	2		LMPK12112532
3,5-dichlorosalicylic acid +7.2250004	3,5-dichlorosalicylic acid [ C7 H4 Cl2 O3, overall=44.52, db=44.52, CAS ID=320-72-9, METLIN ID=34508 ]	320-72-9		3,5-dichlorosalicylic acid +7.2250004	+	222.9826	7.2250004	44.52		(223.9898, 3336.6)(224.9909, 986.49)(225.989, 1016.28)	FindByMolecularFeature	C7 H4 Cl2 O3	2
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.231	3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid [ C24 H38 O4, overall=70.41, db=70.41, KEGG ID=C11637, METLIN ID=42805 ]			3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.231	+	412.2586	1.231	70.41	C11637	(413.2663, 6218.99)(414.2719, 2073.38)	FindByMolecularFeature	C24 H38 O4	2
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.8395	3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid [ C24 H38 O4, overall=93.70, db=93.70, KEGG ID=C11637, METLIN ID=42805 ]			3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.8395	+	390.277	1.8395	93.7	C11637	(391.2842, 8772.77)(392.2873, 2655.01)(393.2947, 582.21)(781.5608, 785.17)	FindByMolecularFeature	C24 H38 O4	2
3?,7?,12?-Trihydroxy-6-oxo-5?-cholan-24-oic Acid	3?,7?,12?-Trihydroxy-6-oxo-5?-cholan-24-oic Acid [ C24 H38 O6, overall=48.95, db=48.95, METLIN ID=42845 ]			3?,7?,12?-Trihydroxy-6-oxo-5?-cholan-24-oic Acid	+	422.2664	1.3405	48.95		(445.2577, 939.11)(423.2736, 2439.25)(424.2742, 1358.92)	FindByMolecularFeature	C24 H38 O6	2
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.467	3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid [ C24 H36 O3, overall=78.27, db=78.27, METLIN ID=42909 ]			3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.467	+	372.2657	1.467	78.27		(373.273, 3432.24)(374.276, 1033.87)	FindByMolecularFeature	C24 H36 O3	2
303.205@1.2355				303.205@1.2355	+	303.205	1.2355			(304.2128, 3723.28)(305.2152, 1628.94)	FindByMolecularFeature		2
303.2925@4.143				303.2925@4.143	+	303.2925	4.143			(304.2987, 2122.52)(305.3016, 1302.07)	FindByMolecularFeature		2
305.2841@3.8495				305.2841@3.8495	+	305.2841	3.8495			(306.2915, 1993.23)(307.2946, 793.7)	FindByMolecularFeature		2
353.22@1.1129999				353.22@1.1129999	+	353.22	1.1129999			(354.229, 1864.92)(355.2227, 866.44)	FindByMolecularFeature		2
374.756@7.618				374.756@7.618	+	374.756	7.618			(375.7635, 78668.97)(376.7657, 4417.35)	FindByMolecularFeature		2
378.7435@5.5284996				378.7435@5.5284996	+	378.7435	5.5284996			(379.7508, 10589.76)(380.7522, 851.03)	FindByMolecularFeature		2
393.749@5.815				393.749@5.815	+	393.749	5.815			(394.7563, 30856.51)(395.7592, 2323.72)	FindByMolecularFeature		2
3-alpha,20-alpha-dihydroxy-5-beta-pregnane 3-glucuronide	3-alpha,20-alpha-dihydroxy-5-beta-pregnane 3-glucuronide [ C27 H44 O8, overall=59.44, db=59.44, KEGG ID=C03033, METLIN ID=61668, HMP ID=HMDB10352 ]			3-alpha,20-alpha-dihydroxy-5-beta-pregnane 3-glucuronide	+	513.3313	1.4755001	59.44	C03033	(514.3385, 3114.15)(515.3457, 1103.56)	FindByMolecularFeature	C27 H44 O8	2	HMDB10352
3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-cholan-24-oic Acid	3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-cholan-24-oic Acid [ C24 H38 O6, overall=41.64, db=41.64, Lipid ID=LMST04010274, METLIN ID=84587 ]			3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-cholan-24-oic Acid	+	400.2794	1.3475	41.64		(423.273, 1597.45)(424.2725, 751.65)(823.5492, 1001.98)(401.2881, 1213.05)	FindByMolecularFeature	C24 H38 O6	2		LMST04010274
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide	3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide [ C25 H38 O8, overall=87.97, db=87.97, Lipid ID=LMST05010001, METLIN ID=84920 ]			3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide	+	466.2567	1.8599999	87.97		(489.2468, 3328.27)(490.2534, 1098.2)(467.2663, 20072.46)(468.2699, 5743.06)(469.273, 1210.44)	FindByMolecularFeature	C25 H38 O8	2		LMST05010001
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide +2.054	3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide [ C25 H38 O8, overall=79.59, db=79.59, Lipid ID=LMST05010001, METLIN ID=84920 ]			3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide +2.054	+	466.2559	2.054	79.59		(467.2632, 5513.39)(468.2669, 1381.64)	FindByMolecularFeature	C25 H38 O8	2		LMST05010001
3-Amino-L-Tyrosine	3-Amino-L-Tyrosine [ C9 H12 N2 O3, overall=79.78, db=79.78, CAS ID=23279-22-3, METLIN ID=44711 ]	23279-22-3		3-Amino-L-Tyrosine	+	196.0854	1.7505	79.78		(197.0925, 9899.65)(198.0976, 892.29)	FindByMolecularFeature	C9 H12 N2 O3	2
3-Aza-A-homocholest-4a-en-4-one	3-Aza-A-homocholest-4a-en-4-one [ C27 H45 N O, overall=68.56, db=68.56, KEGG ID=C15251, METLIN ID=70728 ]			3-Aza-A-homocholest-4a-en-4-one	+	399.352	4.2665	68.56	C15251	(400.3593, 2657.71)(401.3613, 961.37)	FindByMolecularFeature	C27 H45 N O	2
3-Deoxyestradiol	3-Deoxyestradiol [ C18 H24 O, overall=75.48, db=75.48, CAS ID=2529-64-8, KEGG ID=C14239, METLIN ID=69901 ]	2529-64-8		3-Deoxyestradiol	+	278.1633	4.4735003	75.48	C14239	(279.1706, 5821.05)(280.1759, 1358.15)	FindByMolecularFeature	C18 H24 O	2
3-Deoxyvitamin D3	3-Deoxyvitamin D3 [ C27 H44, overall=73.37, db=73.37, Lipid ID=LMST03020618, METLIN ID=42544 ]			3-Deoxyvitamin D3	+	368.3445	0.8315	73.37		(369.3518, 5154.25)(370.3551, 1965.27)	FindByMolecularFeature	C27 H44	2		LMST03020618
3-Guanidinopropanoate	3-Guanidinopropanoate [ C4 H9 N3 O2, overall=81.14, db=81.14, CAS ID=353-09-3, KEGG ID=C03065, METLIN ID=65896 ]	353-09-3		3-Guanidinopropanoate	+	131.0693	7.1935	81.14	C03065	(132.0766, 18069.25)(133.0795, 1198.52)(134.0825, 1532.02)	FindByMolecularFeature	C4 H9 N3 O2	2
3-heptenal	3-heptenal [ C7 H12 O, overall=0.70, db=0.70, Lipid ID=LMFA06000020, METLIN ID=36541 ]			3-heptenal	+	112.0911	1.183	0.7		(113.0972, 1162.07)(242.2149, 866.41)(225.1903, 4680.45)	FindByMolecularFeature	C7 H12 O	2		LMFA06000020
3-hexenedial +2.2870002	3-hexenedial [ C6 H8 O2, overall=66.05, db=66.05, Lipid ID=LMFA06000010, METLIN ID=36532 ]			3-hexenedial +2.2870002	+	112.0523	2.2870002	66.05		(113.0596, 8630.64)(114.0651, 1250.72)	FindByMolecularFeature	C6 H8 O2	2		LMFA06000010
3-Hydroxy-5-methylhex-4-enoyl-CoA	3-Hydroxy-5-methylhex-4-enoyl-CoA [ C28 H46 N7 O18 P3 S, overall=40.92, db=40.92, KEGG ID=C16469, METLIN ID=71210 ]			3-Hydroxy-5-methylhex-4-enoyl-CoA	+	893.1824	1.014	40.92	C16469	(894.1897, 2838.96)(895.1885, 2340.03)(896.1829, 2298.87)	FindByMolecularFeature	C28 H46 N7 O18 P3 S	2
3-hydroxy-tetradecanedioic acid	3-hydroxy-tetradecanedioic acid [ C14 H26 O5, overall=65.09, db=65.09, Lipid ID=LMFA01170094, METLIN ID=74937, HMP ID=HMDB00394 ]			3-hydroxy-tetradecanedioic acid	+	291.2045	6.216	65.09		(292.2118, 4336.8)(293.2123, 1066.01)	FindByMolecularFeature	C14 H26 O5	2	HMDB00394	LMFA01170094
3-hydroxy-tridecanoic acid	3-hydroxy-tridecanoic acid [ C13 H26 O3, overall=28.16, db=28.16, METLIN ID=35538 ]			3-hydroxy-tridecanoic acid	+	230.1903	1.177	28.16		(253.1798, 2365.25)(231.1963, 1960.48)	FindByMolecularFeature	C13 H26 O3	2
3-Indoleacetic Acid	3-Indoleacetic Acid [ C10 H9 N O2, overall=81.69, db=81.69, CAS ID=87-51-4, KEGG ID=C00954, METLIN ID=70, HMP ID=HMDB00197 ]	87-51-4		3-Indoleacetic Acid	+	175.0636	5.137	81.69	C00954	(176.0708, 9844.25)(177.0737, 1560.29)	FindByMolecularFeature	C10 H9 N O2	2	HMDB00197
3-Indolebutyric acid	3-Indolebutyric acid [ C12 H13 N O2, overall=74.54, db=74.54, CAS ID=133-32-4, KEGG ID=C11284, METLIN ID=6485, HMP ID=HMDB02096 ]	133-32-4		3-Indolebutyric acid	+	225.0766	1.245	74.54	C11284	(226.0839, 7291.17)(227.09, 654.17)	FindByMolecularFeature	C12 H13 N O2	2	HMDB02096
3-Methylorsellinic Acid +4.6575	3-Methylorsellinic Acid [ C9 H10 O4, overall=60.85, db=60.85, CAS ID=4707-46-4, METLIN ID=43818 ]	4707-46-4		3-Methylorsellinic Acid +4.6575	+	199.0852	4.6575	60.85		(200.0922, 4942.64)(201.0989, 885.75)	FindByMolecularFeature	C9 H10 O4	2
3-O-Methylrimiterol	3-O-Methylrimiterol [ C13 H19 N O3, overall=61.02, db=61.02, CAS ID=32459-45-3, METLIN ID=2336 ]	32459-45-3		3-O-Methylrimiterol	+	259.1177	7.483	61.02		(260.125, 2555.48)(261.1275, 726.87)	FindByMolecularFeature	C13 H19 N O3	2
3-Oxo-5beta-chola-7,11-dien-24-oic Acid	3-Oxo-5beta-chola-7,11-dien-24-oic Acid [ C24 H34 O3, overall=66.29, db=66.29, Lipid ID=LMST04010333, METLIN ID=84642 ]			3-Oxo-5beta-chola-7,11-dien-24-oic Acid	+	370.2504	1.4070001	66.29		(371.2576, 3024.3)(372.2606, 974.25)(373.2585, 541.57)	FindByMolecularFeature	C24 H34 O3	2		LMST04010333
3-oxo-nonanoic acid +6.1675	3-oxo-nonanoic acid [ C9 H16 O3, overall=53.87, db=53.87, METLIN ID=35844 ]			3-oxo-nonanoic acid +6.1675	+	189.1366	6.1675	53.87		(190.1439, 2806.45)(191.1489, 866.48)	FindByMolecularFeature	C9 H16 O3	2
3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime	3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime [ C22 H34 N2 O2, overall=79.35, db=79.35, KEGG ID=C15106, METLIN ID=70599 ]			3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime	+	375.2896	1.1565	79.35	C15106	(376.2969, 28660.83)(377.3009, 6687.12)	FindByMolecularFeature	C22 H34 N2 O2	2
3-oxo-tridecanoic acid	3-oxo-tridecanoic acid [ C13 H24 O3, overall=42.35, db=42.35, Lipid ID=LMFA01060097, METLIN ID=74735 ]			3-oxo-tridecanoic acid	+	228.1733	1.2695	42.35		(479.3368, 1612.09)(480.3367, 821.38)(481.3339, 1625.77)(229.1799, 1517.17)	FindByMolecularFeature	C13 H24 O3	2		LMFA01060097
3-tert-Butyl-5-methylcatechol	3-tert-Butyl-5-methylcatechol [ C11 H16 O2, overall=49.16, db=49.16, KEGG ID=C03929, METLIN ID=66083 ]			3-tert-Butyl-5-methylcatechol	+	197.1417	1.4135001	49.16	C03929	(198.1489, 6187.06)(199.1572, 1629.28)	FindByMolecularFeature	C11 H16 O2	2
3-Vinylbacteriochlorophyllide d	3-Vinylbacteriochlorophyllide d [ C33 H32 Mg N4 O3, overall=40.89, db=40.89, CAS ID=, KEGG ID=C18157, METLIN ID=63979 ]			3-Vinylbacteriochlorophyllide d	+	556.2368	1.4805	40.89	C18157	(557.2437, 2043.68)(558.2451, 1296.03)	FindByMolecularFeature	C33 H32 Mg N4 O3	2
4-(1-Ethyl-2-phenylbutyl)phenol	4-(1-Ethyl-2-phenylbutyl)phenol [ C18 H22 O, overall=64.44, db=64.44, KEGG ID=C15082, METLIN ID=70575 ]			4-(1-Ethyl-2-phenylbutyl)phenol	+	276.1474	1.185	64.44	C15082	(277.1547, 3628.55)(278.1636, 914.82)(279.1608, 611.67)	FindByMolecularFeature	C18 H22 O	2
4-(2-hydroxy-3-isopropyl-aminopropyl)benzoic scid	4-(2-hydroxy-3-isopropyl-aminopropyl)benzoic scid [ C13 H19 N O4, overall=74.20, db=74.20, CAS ID=72570-70-8, METLIN ID=1354 ]	72570-70-8		4-(2-hydroxy-3-isopropyl-aminopropyl)benzoic scid	+	275.1119	7.105	74.2		(276.1192, 4398.33)(277.1235, 841.12)	FindByMolecularFeature	C13 H19 N O4	2
4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone +7.8585	4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone [ C10 H13 N3 O3, overall=70.82, db=70.82, CAS ID=76014-82-9, KEGG ID=C19602, METLIN ID=73257 ]	76014-82-9		4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone +7.8585	+	223.0961	7.8585	70.82	C19602	(224.1033, 5352.83)(225.1084, 965.37)	FindByMolecularFeature	C10 H13 N3 O3	2
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol +7.8310003	4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol [ C10 H15 N3 O3, overall=81.76, db=81.76, CAS ID=85352-99-4, KEGG ID=C19603, METLIN ID=73258 ]	85352-99-4		4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol +7.8310003	+	225.1115	7.8310003	81.76	C19603	(226.1188, 4631.25)(227.1232, 662.03)	FindByMolecularFeature	C10 H15 N3 O3	2
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol +8.451	4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol [ C10 H15 N3 O3, overall=77.31, db=77.31, CAS ID=85352-99-4, KEGG ID=C19603, METLIN ID=73258 ]	85352-99-4		4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol +8.451	+	242.1382	8.451	77.31	C19603	(243.1453, 6380.34)(244.1495, 1111.55)	FindByMolecularFeature	C10 H15 N3 O3	2
4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone	4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone [ C9 H11 N3 O2, overall=65.15, db=65.15, KEGG ID=C19564, METLIN ID=73233 ]			4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone	+	210.1119	7.902	65.15	C19564	(211.1192, 4207.8)(212.1223, 997.59)	FindByMolecularFeature	C9 H11 N3 O2	2
4,4'-Diaminostilbene	4,4'-Diaminostilbene [ C14 H14 N2, overall=71.65, db=71.65, KEGG ID=C15452, METLIN ID=70918 ]			4,4'-Diaminostilbene	+	227.1394	6.368	71.65	C15452	(228.1476, 7863.6)(229.1515, 1475.64)	FindByMolecularFeature	C14 H14 N2	2
4,4'-Diaminostilbene +6.469	4,4'-Diaminostilbene [ C14 H14 N2, overall=54.87, db=54.87, KEGG ID=C15452, METLIN ID=70918 ]			4,4'-Diaminostilbene +6.469	+	227.142	6.469	54.87	C15452	(228.1493, 5612.25)(229.1544, 2066.28)	FindByMolecularFeature	C14 H14 N2	2
417.7382@5.935				417.7382@5.935	+	417.7382	5.935			(418.7449, 5424.67)(419.7494, 1121.78)	FindByMolecularFeature		2
421.3041@1.658				421.3041@1.658	+	421.3041	1.658			(422.31, 1361.3)(423.314, 661.67)(424.3044, 713.18)	FindByMolecularFeature		2
439.3617@1.0705				439.3617@1.0705	+	439.3617	1.0705			(440.369, 1369.01)(441.3726, 602.07)(442.3533, 1785.28)	FindByMolecularFeature		2
443.3639@1.097				443.3639@1.097	+	443.3639	1.097			(444.3711, 1562.21)(445.3684, 771.1)(446.3764, 780.12)	FindByMolecularFeature		2
444.7825@5.965				444.7825@5.965	+	444.7825	5.965			(445.7898, 7439.71)(446.7926, 865.8)	FindByMolecularFeature		2
451.5111@3.556				451.5111@3.556	+	451.5111	3.556			(452.5183, 5684.84)(453.5221, 2321.93)	FindByMolecularFeature		2
453.3244@1.3334999				453.3244@1.3334999	+	453.3244	1.3334999			(454.3335, 1740.76)(455.3347, 1259.22)	FindByMolecularFeature		2
467.3727@1.4300001				467.3727@1.4300001	+	467.3727	1.4300001			(468.3791, 1956.82)(469.3732, 1821.87)	FindByMolecularFeature		2
480.3224@1.334				480.3224@1.334	+	480.3224	1.334			(481.3297, 1921.63)(482.319, 1390.35)(483.3233, 1152.16)	FindByMolecularFeature		2
494.7992@6.432				494.7992@6.432	+	494.7992	6.432			(495.8067, 4741.54)(496.8068, 2649.93)(990.6037, 1106.14)(991.6062, 587.03)	FindByMolecularFeature		2
495.7985@6.289				495.7985@6.289	+	495.7985	6.289			(496.8064, 8627.13)(497.8094, 1298.19)	FindByMolecularFeature		2
4-Amino-1-piperidinecarboxylic acid	4-Amino-1-piperidinecarboxylic acid [ C6 H12 N2 O2, overall=47.49, db=47.49, CAS ID=959317-82-9, KEGG ID=C16837, METLIN ID=71376 ]	959317-82-9		4-Amino-1-piperidinecarboxylic acid	+	144.0903	6.479	47.49	C16837	(167.0804, 3201.38)(168.0742, 1036.67)(145.0973, 12096.61)	FindByMolecularFeature	C6 H12 N2 O2	2
4-Aminobenzenesulfonate	4-Aminobenzenesulfonate [ C6 H7 N O3 S, overall=72.14, db=72.14, CAS ID=121-57-3, KEGG ID=C06335, METLIN ID=66374 ]	121-57-3		4-Aminobenzenesulfonate	+	173.0151	2.9959998	72.14	C06335	(196.0042, 1345.57)(174.0222, 4363.77)(175.0248, 572.9)	FindByMolecularFeature	C6 H7 N O3 S	2
4-Cumylphenol	4-Cumylphenol [ C15 H16 O, overall=63.04, db=63.04, CAS ID=599-64-4, KEGG ID=C14258, METLIN ID=69918 ]	599-64-4		4-Cumylphenol	+	234.1016	1.8455	63.04	C14258	(235.1088, 4573.01)(236.1107, 1252.53)	FindByMolecularFeature	C15 H16 O	2
4-Dimethylamino-L-phenylalanine +6.7469997	4-Dimethylamino-L-phenylalanine [ C11 H16 N2 O2, overall=54.93, db=54.93, KEGG ID=C18619, METLIN ID=72414 ]			4-Dimethylamino-L-phenylalanine +6.7469997	+	208.1214	6.7469997	54.93	C18619	(209.1287, 17401.08)(210.1247, 4041.01)(226.1543, 1712.71)	FindByMolecularFeature	C11 H16 N2 O2	2
4-Hydroxy-2-quinolone +1.213	4-Hydroxy-2-quinolone [ C9 H7 N O2, overall=84.61, db=84.61, CAS ID=86-95-3, KEGG ID=C16716, METLIN ID=71293 ]	86-95-3		4-Hydroxy-2-quinolone +1.213	+	161.0479	1.213	84.61	C16716	(162.0552, 17607.06)(163.0584, 2324.34)	FindByMolecularFeature	C9 H7 N O2	2
4'-Hydroxyminoxidil	4'-Hydroxyminoxidil [ C9 H15 N5 O2, overall=58.50, db=58.50, CAS ID=56828-37-6, METLIN ID=1317 ]	56828-37-6		4'-Hydroxyminoxidil	+	225.1219	1.7014999	58.5		(226.1292, 3164.28)(227.1319, 1063.23)	FindByMolecularFeature	C9 H15 N5 O2	2
4-keto palmitic acid +1.1575	4-keto palmitic acid [ C16 H30 O3, overall=47.07, db=47.07, Lipid ID=LMFA01060052, METLIN ID=35746 ]			4-keto palmitic acid +1.1575	+	270.2192	1.1575	47.07		(271.2256, 1719.55)(288.2537, 3958.52)	FindByMolecularFeature	C16 H30 O3	2		LMFA01060052
4-keto pentadecanoic acid	4-keto pentadecanoic acid [ C15 H28 O3, overall=50.64, db=50.64, Lipid ID=LMFA01060047, METLIN ID=35741 ]			4-keto pentadecanoic acid	+	278.1882	1.123	50.64		(279.1954, 3753.11)(280.1917, 1397.26)	FindByMolecularFeature	C15 H28 O3	2		LMFA01060047
4-Methoxytyramine	4-Methoxytyramine [ C9 H13 N O2, overall=81.37, db=81.37, CAS ID=3213-30-7, KEGG ID=, METLIN ID=62825, HMP ID=HMDB12162 ]	3213-30-7		4-Methoxytyramine	+	167.0948	2.8235	81.37		(168.1022, 35480.76)(169.106, 5084.85)	FindByMolecularFeature	C9 H13 N O2	2	HMDB12162
4-Methyl-5-thiazoleethanol	4-Methyl-5-thiazoleethanol [ C6 H9 N O S, overall=79.13, db=79.13, CAS ID=137-00-8, KEGG ID=C04294, METLIN ID=1873 ]	137-00-8		4-Methyl-5-thiazoleethanol	+	143.0406	1.4155	79.13	C04294	(144.0478, 26218.17)(145.051, 2197.54)	FindByMolecularFeature	C6 H9 N O S	2
4-Methylaminobutyrate +6.781	4-Methylaminobutyrate [ C5 H11 N O2, overall=86.26, db=86.26, CAS ID=1119-48-8, KEGG ID=C15987, METLIN ID=63884 ]	1119-48-8		4-Methylaminobutyrate +6.781	+	117.0789	6.781	86.26	C15987	(118.0861, 25143.52)(119.0891, 2002.09)	FindByMolecularFeature	C5 H11 N O2	2
4-Methylhistamine	4-Methylhistamine [ C6 H11 N3, overall=69.24, db=69.24, CAS ID=36507-31-0, KEGG ID=C17929, METLIN ID=71951 ]	36507-31-0		4-Methylhistamine	+	125.0935	5.8444996	69.24	C17929	(126.1008, 10947.51)(127.1037, 572.23)	FindByMolecularFeature	C6 H11 N3	2
4-tert-Octylphenol +5.1075	4-tert-Octylphenol [ C14 H22 O, overall=97.57, db=97.57, CAS ID=140-66-9, KEGG ID=C14205, METLIN ID=69877 ]	140-66-9		4-tert-Octylphenol +5.1075	+	223.1938	5.1075	97.57	C14205	(224.2011, 38344.08)(225.2046, 7152.4)(226.2048, 648.88)	FindByMolecularFeature	C14 H22 O	2
5,7,3',4',5'-Pentahydroxyflavanone	5,7,3',4',5'-Pentahydroxyflavanone [ C15 H12 O7, overall=99.26, db=99.26, Lipid ID=LMPK12140455, METLIN ID=52937 ]			5,7,3',4',5'-Pentahydroxyflavanone	+	304.0585	1.472	99.26		(327.0474, 1433.88)(305.0657, 22126.28)(306.0692, 3356.91)(307.0721, 634.77)	FindByMolecularFeature	C15 H12 O7	2		LMPK12140455
5,7,3'-Trihydroxy-4',5'-dimethoxy-6,8-di-C-methylflavanone	5,7,3'-Trihydroxy-4',5'-dimethoxy-6,8-di-C-methylflavanone [ C19 H20 O7, overall=69.28, db=69.28, Lipid ID=LMPK12140458, METLIN ID=52940 ]			5,7,3'-Trihydroxy-4',5'-dimethoxy-6,8-di-C-methylflavanone	+	377.1484	1.3525	69.28		(378.1556, 2841.65)(379.1579, 869.51)	FindByMolecularFeature	C19 H20 O7	2		LMPK12140458
526.6542@7.67				526.6542@7.67	+	526.6542	7.67			(527.6614, 12231.33)(528.6649, 1808.69)	FindByMolecularFeature		2
530.8102@6.4744997				530.8102@6.4744997	+	530.8102	6.4744997			(531.8175, 2653.62)(532.8244, 729.22)	FindByMolecularFeature		2
539.8249@6.5290003				539.8249@6.5290003	+	539.8249	6.5290003			(540.832, 18956.09)(541.8348, 2306.43)	FindByMolecularFeature		2
541.6642@7.784				541.6642@7.784	+	541.6642	7.784			(542.6713, 10812.09)(543.673, 984.65)	FindByMolecularFeature		2
552.8325@6.428				552.8325@6.428	+	552.8325	6.428			(553.8398, 3167.82)(554.848, 663.49)	FindByMolecularFeature		2
570.6805@7.906				570.6805@7.906	+	570.6805	7.906			(571.6875, 9016.12)(572.6903, 2187.77)	FindByMolecularFeature		2
575.4893@1.0825				575.4893@1.0825	+	575.4893	1.0825			(576.4965, 5954.86)(577.4875, 4010.96)(578.4935, 1986.12)	FindByMolecularFeature		2
583.2558@1.0825				583.2558@1.0825	+	583.2558	1.0825			(584.2631, 5200.72)(585.2693, 4088.12)(586.2758, 1972.26)	FindByMolecularFeature		2
5-Acetamidovalerate	5-Acetamidovalerate [ C7 H13 N O3, overall=67.27, db=67.27, METLIN ID=62836, HMP ID=HMDB12175 ]			5-Acetamidovalerate	+	181.0713	2.9555001	67.27		(182.0793, 6189.88)(183.0795, 937.69)	FindByMolecularFeature	C7 H13 N O3	2	HMDB12175
5beta-Chola-3,8(14),11-trien-24-oic Acid +1.005	5beta-Chola-3,8(14),11-trien-24-oic Acid [ C24 H34 O2, overall=83.50, db=83.50, Lipid ID=LMST04010327, METLIN ID=84636 ]			5beta-Chola-3,8(14),11-trien-24-oic Acid +1.005	+	354.2559	1.005	83.5		(355.263, 20958.96)(356.2666, 5696.08)	FindByMolecularFeature	C24 H34 O2	2		LMST04010327
5beta-Chola-3,8(14),11-trien-24-oic Acid +1.5235	5beta-Chola-3,8(14),11-trien-24-oic Acid [ C24 H34 O2, overall=69.24, db=69.24, Lipid ID=LMST04010327, METLIN ID=84636 ]			5beta-Chola-3,8(14),11-trien-24-oic Acid +1.5235	+	354.2553	1.5235	69.24		(355.2625, 3375.21)(356.267, 1436.82)(357.2725, 622.14)	FindByMolecularFeature	C24 H34 O2	2		LMST04010327
5-Hydroxydopamine +2.883	5-Hydroxydopamine [ C8 H11 N O3, overall=59.87, db=59.87, CAS ID=1927-04-4, METLIN ID=7081, HMP ID=HMDB04817 ]	4/4/1927		5-Hydroxydopamine +2.883	+	169.0743	2.883	59.87		(170.0816, 3575.17)(171.0824, 738.57)(339.1545, 941.3)	FindByMolecularFeature	C8 H11 N O3	2	HMDB04817
5-Hydroxyectoine +7.6464996	5-Hydroxyectoine [ C6 H10 N2 O3, overall=78.22, db=78.22, CAS ID=, KEGG ID=C16432, METLIN ID=63420 ]			5-Hydroxyectoine +7.6464996	+	158.0694	7.6464996	78.22	C16432	(159.0765, 3084.6)(176.1032, 10206.84)(177.1087, 924.18)	FindByMolecularFeature	C6 H10 N2 O3	2
5-Hydroxymethylcimetidine	5-Hydroxymethylcimetidine [ C10 H16 N6 O S, overall=52.81, db=52.81, CAS ID=59359-50-1, METLIN ID=1756 ]	59359-50-1		5-Hydroxymethylcimetidine	+	285.1384	1.1695	52.81		(286.1457, 3145.59)(287.1481, 1437.18)	FindByMolecularFeature	C10 H16 N6 O S	2
5-Methylthiopentanaldoxime	5-Methylthiopentanaldoxime [ C6 H13 N O S, overall=72.01, db=72.01, CAS ID=, KEGG ID=C17245, METLIN ID=64513 ]			5-Methylthiopentanaldoxime	+	169.0563	8.0755005	72.01	C17245	(170.0636, 49768.71)(171.0663, 4779.7)(172.0598, 2580.64)	FindByMolecularFeature	C6 H13 N O S	2
5-Nitro-2-Phenylpropylaminobenzoic Acid [Nppb]	5-Nitro-2-Phenylpropylaminobenzoic Acid [Nppb] [ C16 H16 N2 O4, overall=55.68, db=55.68, CAS ID=107254-86-4, KEGG ID=C13705, METLIN ID=44306 ]	107254-86-4		5-Nitro-2-Phenylpropylaminobenzoic Acid [Nppb]	+	300.1114	2.9345	55.68	C13705	(301.1187, 3110.28)(302.1187, 1063.94)	FindByMolecularFeature	C16 H16 N2 O4	2
5-trans U-44069	5-trans U-44069 [ C21 H34 O4, overall=43.58, db=43.58, METLIN ID=45679 ]			5-trans U-44069	+	367.2724	1.12	43.58		(368.2796, 2368.89)(369.2695, 736.13)	FindByMolecularFeature	C21 H34 O4	2
6-(1,2,3,4-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone	6-(1,2,3,4-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone [ C15 H15 N O2, overall=67.10, db=67.10, KEGG ID=C14902, METLIN ID=70404 ]			6-(1,2,3,4-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone	+	258.1376	1.1984999	67.1	C14902	(259.1448, 5970.55)(260.1482, 1222.36)(261.1473, 1223.06)	FindByMolecularFeature	C15 H15 N O2	2
6?-Hydroxy-castasterone	6?-Hydroxy-castasterone [ C28 H50 O5, overall=52.53, db=52.53, CAS ID=, KEGG ID=C15803, METLIN ID=64141 ]			6?-Hydroxy-castasterone	+	483.3898	1.0834999	52.53	C15803	(484.3972, 2194.95)(485.4032, 1104.59)	FindByMolecularFeature	C28 H50 O5	2
614.7067@8.252				614.7067@8.252	+	614.7067	8.252			(615.714, 5833.87)(616.7174, 1603.85)	FindByMolecularFeature		2
628.3781@6.9515				628.3781@6.9515	+	628.3781	6.9515			(629.3854, 13012.43)(630.3881, 306.96)(631.3744, 623.71)	FindByMolecularFeature		2
661.5998@3.6525002				661.5998@3.6525002	+	661.5998	3.6525002			(662.6085, 1227.08)(663.6117, 675.83)(664.6232, 1197.21)	FindByMolecularFeature		2
693.9164@7.502				693.9164@7.502	+	693.9164	7.502			(694.9237, 5168.37)(695.931, 3761.83)	FindByMolecularFeature		2
6-Benzylaminopurine	6-Benzylaminopurine [ C12 H11 N5, overall=76.00, db=76.00, CAS ID=1214-39-7, KEGG ID=C11263, METLIN ID=68947 ]	1214-39-7		6-Benzylaminopurine	+	242.1269	7.328	76	C11263	(243.1341, 6227.37)(244.1376, 1253.69)	FindByMolecularFeature	C12 H11 N5	2
6-bromo-5,9-hexacosadienoic acid	6-bromo-5,9-hexacosadienoic acid [ C26 H47 Br O2, overall=53.01, db=53.01, Lipid ID=LMFA01090016, METLIN ID=74834 ]			6-bromo-5,9-hexacosadienoic acid	+	470.2778	3.817	53.01		(471.2851, 4113.65)(472.2875, 1250.33)	FindByMolecularFeature	C26 H47 Br O2	2		LMFA01090016
6-bromo-5,9-hexacosadienoic acid +4.4300003	6-bromo-5,9-hexacosadienoic acid [ C26 H47 Br O2, overall=54.19, db=54.19, Lipid ID=LMFA01090016, METLIN ID=74834 ]			6-bromo-5,9-hexacosadienoic acid +4.4300003	+	470.2776	4.4300003	54.19		(471.2849, 7527.05)(472.2879, 2651.02)	FindByMolecularFeature	C26 H47 Br O2	2		LMFA01090016
6-Dimethylaminopurine +6.2795	6-Dimethylaminopurine [ C7 H9 N5, overall=45.35, db=45.35, CAS ID=938-55-6, KEGG ID=, METLIN ID=5460, HMP ID=HMDB00473 ]	938-55-6		6-Dimethylaminopurine +6.2795	+	163.0849	6.2795	45.35		(186.0746, 2548.31)(164.0922, 3907.12)(165.1027, 1148.84)	FindByMolecularFeature	C7 H9 N5	2	HMDB00473
6E-Dodecen-1-ol +4.278	6E-Dodecen-1-ol [ C12 H24 O, overall=86.38, db=86.38, Lipid ID=LMFA05000147, METLIN ID=46099 ]			6E-Dodecen-1-ol +4.278	+	201.2094	4.278	86.38		(202.2167, 16886.3)(203.22, 2624.92)	FindByMolecularFeature	C12 H24 O	2		LMFA05000147
6-nonenal +5.1619997	6-nonenal [ C9 H16 O, overall=80.61, db=80.61, METLIN ID=36564 ]			6-nonenal +5.1619997	+	157.1459	5.1619997	80.61		(158.1532, 5041.91)(159.1561, 691.44)	FindByMolecularFeature	C9 H16 O	2
6-piperazin-1-yl-Isoquinoline	6-piperazin-1-yl-Isoquinoline [ C13 H15 N3, overall=73.04, db=73.04, CAS ID=936643-77-5, METLIN ID=45047 ]	936643-77-5		6-piperazin-1-yl-Isoquinoline	+	230.1529	8.2435	73.04		(231.1601, 4130.08)(232.1635, 1007.47)	FindByMolecularFeature	C13 H15 N3	2
7(Z)-Tricosene	7(Z)-Tricosene [ C23 H46, overall=84.59, db=84.59, CAS ID=52078-42-9, METLIN ID=64890 ]	52078-42-9		7(Z)-Tricosene	+	339.3862	4.024	84.59		(340.3935, 4652.81)(341.3967, 1212.04)	FindByMolecularFeature	C23 H46	2
7,12-Dimethylbenz[a]anthracene	7,12-Dimethylbenz[a]anthracene [ C20 H16, overall=82.92, db=82.92, CAS ID=57-97-6, KEGG ID=C19488, METLIN ID=73182 ]	57-97-6		7,12-Dimethylbenz[a]anthracene	+	256.1246	5.2095	82.92	C19488	(257.1319, 3809.42)(258.1347, 723.39)	FindByMolecularFeature	C20 H16	2
7?-Hydroxy-7-Desacetoxykhivorinic Acid, Methyl Ester	7?-Hydroxy-7-Desacetoxykhivorinic Acid, Methyl Ester [ C28 H40 O10, overall=49.50, db=49.50, CAS ID=, METLIN ID=43840 ]			7?-Hydroxy-7-Desacetoxykhivorinic Acid, Methyl Ester	+	558.2491	6.2335	49.5		(559.2554, 4758.42)(560.2607, 1431.87)	FindByMolecularFeature	C28 H40 O10	2
752.7892@9.1935005				752.7892@9.1935005	+	752.7892	9.1935005			(753.7955, 3156.74)(754.8019, 987.75)	FindByMolecularFeature		2
766.5736@1.05				766.5736@1.05	+	766.5736	1.05			(767.5809, 2857.12)(768.5848, 2094.83)	FindByMolecularFeature		2
772.2677@1.015				772.2677@1.015	+	772.2677	1.015			(773.275, 3073.95)(774.2707, 2782.77)(775.269, 1380.81)	FindByMolecularFeature		2
789.6478@1.018				789.6478@1.018	+	789.6478	1.018			(790.655, 1971.02)(791.6572, 1184.68)(792.67, 5650.36)(793.6747, 2739.13)(794.6854, 4474.17)	FindByMolecularFeature		2
7a-Ethynylestradiol 3-glucuronide	7a-Ethynylestradiol 3-glucuronide [ C26 H32 O8, overall=87.13, db=87.13, CAS ID=60134-76-1, METLIN ID=1162 ]	60134-76-1		7a-Ethynylestradiol 3-glucuronide	+	472.2098	1.26	87.13		(473.2173, 8041.73)(474.2199, 2877.71)(475.2279, 720.89)	FindByMolecularFeature	C26 H32 O8	2
7a-Ethynylestradiol 3-glucuronide +1.4805	7a-Ethynylestradiol 3-glucuronide [ C26 H32 O8, overall=65.54, db=65.54, CAS ID=60134-76-1, METLIN ID=1162 ]	60134-76-1		7a-Ethynylestradiol 3-glucuronide +1.4805	+	472.2099	1.4805	65.54		(473.2172, 4609.88)(474.2198, 1913.31)	FindByMolecularFeature	C26 H32 O8	2
7-Deacetylkhivorin	7-Deacetylkhivorin [ C30 H40 O9, overall=76.58, db=76.58, CAS ID=, METLIN ID=43656 ]			7-Deacetylkhivorin	+	561.2934	1.4595001	76.58		(562.3007, 4883.83)(563.3042, 1428.68)	FindByMolecularFeature	C30 H40 O9	2
7H-Dibenzo[c,g]carbazole +7.6464996	7H-Dibenzo[c,g]carbazole [ C20 H13 N, overall=71.47, db=71.47, CAS ID=194-59-2, KEGG ID=C19221, METLIN ID=72944 ]	194-59-2		7H-Dibenzo[c,g]carbazole +7.6464996	+	284.1304	7.6464996	71.47	C19221	(285.1381, 7232.28)(286.1412, 1530.48)(287.1385, 799.76)	FindByMolecularFeature	C20 H13 N	2
7-Hydroxytrifluoperazine glucuronide	7-Hydroxytrifluoperazine glucuronide [ C27 H32 F3 N3 O7 S, overall=58.49, db=58.49, CAS ID=, METLIN ID=2935 ]			7-Hydroxytrifluoperazine glucuronide	+	616.2209	1.9035	58.49		(617.2282, 5849.62)(618.23, 3085.02)(619.2338, 1151.38)	FindByMolecularFeature	C27 H32 F3 N3 O7 S	2
7-Hydroxytrifluoperazine glucuronide +2.5405002	7-Hydroxytrifluoperazine glucuronide [ C27 H32 F3 N3 O7 S, overall=47.71, db=47.71, CAS ID=, METLIN ID=2935 ]			7-Hydroxytrifluoperazine glucuronide +2.5405002	+	616.2209	2.5405002	47.71		(617.2285, 3525.44)(618.2314, 1492.41)	FindByMolecularFeature	C27 H32 F3 N3 O7 S	2
7-Hydroxytrifluoperazine glucuronide +3.257	7-Hydroxytrifluoperazine glucuronide [ C27 H32 F3 N3 O7 S, overall=70.10, db=70.10, CAS ID=, METLIN ID=2935 ]			7-Hydroxytrifluoperazine glucuronide +3.257	+	616.2215	3.257	70.1		(617.2288, 5166.1)(618.2321, 1958.37)(619.2339, 564.34)	FindByMolecularFeature	C27 H32 F3 N3 O7 S	2
7-Methoxy-2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran	7-Methoxy-2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran [ C20 H22 O3, overall=54.50, db=54.50, KEGG ID=C15060, METLIN ID=70554 ]			7-Methoxy-2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran	+	310.1542	1.6315	54.5	C15060	(333.1411, 1042.86)(311.1617, 4642.13)(312.1644, 1239.73)(313.1719, 1031.76)	FindByMolecularFeature	C20 H22 O3	2
7-Methylxanthine +3.2965002	7-Methylxanthine [ C6 H6 N4 O2, overall=56.52, db=56.52, CAS ID=552-62-5, KEGG ID=C16353, METLIN ID=58075, HMP ID=HMDB01991 ]	552-62-5		7-Methylxanthine +3.2965002	+	166.0494	3.2965002	56.52	C16353	(189.0385, 893.59)(167.0567, 4303.71)(168.0662, 663.73)	FindByMolecularFeature	C6 H6 N4 O2	2	HMDB01991
7-Oxoheptanoic acid +8.1285	7-Oxoheptanoic acid [ C7 H12 O3, overall=74.29, db=74.29, KEGG ID=C16590, METLIN ID=71248 ]			7-Oxoheptanoic acid +8.1285	+	161.1061	8.1285	74.29	C16590	(162.1134, 6723.0)(163.1178, 790.33)	FindByMolecularFeature	C7 H12 O3	2
8,9-dihydroxy-5,11,14-eicosatrienoic acid +1.143	8,9-dihydroxy-5,11,14-eicosatrienoic acid [ C20 H34 O4, overall=43.77, db=43.77, METLIN ID=36274 ]			8,9-dihydroxy-5,11,14-eicosatrienoic acid +1.143	+	355.274	1.143	43.77		(356.2812, 15103.97)(357.2868, 6761.92)(358.2915, 2533.48)	FindByMolecularFeature	C20 H34 O4	2
819.1613@1.017				819.1613@1.017	+	819.1613	1.017			(820.1686, 6555.78)(821.1698, 5237.9)(822.1662, 4831.93)	FindByMolecularFeature		2
844.6049@1.6955				844.6049@1.6955	+	844.6049	1.6955			(845.6122, 1861.12)(846.6153, 1495.94)	FindByMolecularFeature		2
844.8393@5.696				844.8393@5.696	+	844.8393	5.696			(845.846, 2495.04)(846.8478, 878.66)	FindByMolecularFeature		2
846.285@1.0165				846.285@1.0165	+	846.285	1.0165			(847.2922, 1594.85)(848.2873, 1325.11)(849.2852, 992.91)	FindByMolecularFeature		2
895.7485@1.0485001				895.7485@1.0485001	+	895.7485	1.0485001			(896.7558, 1314.19)(897.7585, 879.52)(898.7708, 1225.0)	FindByMolecularFeature		2
8E,10E-Pentadecadienyl acetate	8E,10E-Pentadecadienyl acetate [ C17 H30 O2, overall=51.48, db=51.48, Lipid ID=LMFA05000382, METLIN ID=46333 ]			8E,10E-Pentadecadienyl acetate	+	266.2245	1.1205	51.48		(267.2318, 4999.48)(268.232, 1822.64)	FindByMolecularFeature	C17 H30 O2	2		LMFA05000382
8E-Heptadecenedioic acid	8E-Heptadecenedioic acid [ C17 H30 O4, overall=39.28, db=39.28, Lipid ID=LMFA01170053, METLIN ID=74925 ]			8E-Heptadecenedioic acid	+	298.2151	1.123	39.28		(321.2049, 2907.94)(322.1981, 1302.93)(299.2203, 1622.81)	FindByMolecularFeature	C17 H30 O4	2		LMFA01170053
8-Prenyllepidissipyrone	8-Prenyllepidissipyrone [ C29 H30 O7, overall=40.47, db=40.47, Lipid ID=LMPK12140213, METLIN ID=52702 ]			8-Prenyllepidissipyrone	+	507.2287	1.8415	40.47		(508.236, 2521.04)(509.2401, 1780.54)	FindByMolecularFeature	C29 H30 O7	2		LMPK12140213
8-tridecynoic acid +1.129	8-tridecynoic acid [ C13 H22 O2, overall=55.19, db=55.19, METLIN ID=35255 ]			8-tridecynoic acid +1.129	+	210.1623	1.129	55.19		(211.1696, 6971.61)(212.1653, 1698.22)(228.1975, 1260.78)(421.3337, 1076.88)	FindByMolecularFeature	C13 H22 O2	2
9,11-Octadecadiynoic acid, 8-oxo-	9,11-Octadecadiynoic acid, 8-oxo- [ C18 H26 O3, overall=85.25, db=85.25, Lipid ID=LMFA01060163, METLIN ID=74795 ]			9,11-Octadecadiynoic acid, 8-oxo-	+	290.1881	1.3915	85.25		(291.1953, 6673.97)(292.1985, 1400.97)	FindByMolecularFeature	C18 H26 O3	2		LMFA01060163
9,12-dioxo-dodecanoic acid +1.174	9,12-dioxo-dodecanoic acid [ C12 H20 O4, overall=58.17, db=58.17, Lipid ID=LMFA01060092, METLIN ID=74730 ]			9,12-dioxo-dodecanoic acid +1.174	+	228.1368	1.174	58.17		(251.1267, 2601.0)(252.1247, 511.99)(229.144, 12107.2)(230.1452, 3363.22)(246.1705, 5410.37)(457.2828, 599.36)	FindByMolecularFeature	C12 H20 O4	2		LMFA01060092
921.2929@1.0125				921.2929@1.0125	+	921.2929	1.0125			(922.3002, 1414.61)(923.2981, 1084.75)(924.2721, 5519.0)	FindByMolecularFeature		2
946.82@5.704				946.82@5.704	+	946.82	5.704			(947.8299, 2424.42)(948.8285, 795.25)	FindByMolecularFeature		2
980.2711@1.027				980.2711@1.027	+	980.2711	1.027			(1003.265, 823.64)(981.2781, 6547.36)(982.2746, 7078.09)(983.2739, 4615.08)	FindByMolecularFeature		2
9-amino-nonanoic acid +4.45	9-amino-nonanoic acid [ C9 H19 N O2, overall=69.16, db=69.16, Lipid ID=LMFA01100010, METLIN ID=74863 ]			9-amino-nonanoic acid +4.45	+	173.1414	4.45	69.16		(174.1487, 3589.26)(175.1502, 645.68)	FindByMolecularFeature	C9 H19 N O2	2		LMFA01100010
9-Nitrooleate	9-Nitrooleate [ C18 H33 N O4, overall=81.73, db=81.73, CAS ID=875685-44-2, METLIN ID=44827 ]	875685-44-2		9-Nitrooleate	+	344.2675	5.8315	81.73		(345.2748, 4396.63)(346.2781, 1079.17)	FindByMolecularFeature	C18 H33 N O4	2
9-O-Demethyl-2alpha-hydroxyhomolycorine +3.184	9-O-Demethyl-2alpha-hydroxyhomolycorine [ C17 H19 N O5, overall=72.98, db=72.98, KEGG ID=C12239, METLIN ID=69386 ]			9-O-Demethyl-2alpha-hydroxyhomolycorine +3.184	+	317.1244	3.184	72.98	C12239	(340.1142, 1811.79)(318.1316, 6050.58)(319.1345, 1173.14)	FindByMolecularFeature	C17 H19 N O5	2
9S,10S,11R-trihydroxy-12Z-octadecenoic acid +1.2165	9S,10S,11R-trihydroxy-12Z-octadecenoic acid [ C18 H34 O5, overall=43.88, db=43.88, METLIN ID=36018 ]			9S,10S,11R-trihydroxy-12Z-octadecenoic acid +1.2165	+	330.2402	1.2165	43.88		(353.2318, 764.46)(331.2468, 3556.0)(348.2715, 1021.25)	FindByMolecularFeature	C18 H34 O5	2
9-undecynoic acid +1.155	9-undecynoic acid [ C11 H18 O2, overall=86.73, db=86.73, METLIN ID=35271 ]			9-undecynoic acid +1.155	+	199.1573	1.155	86.73		(200.1646, 10235.34)(201.1674, 1402.44)	FindByMolecularFeature	C11 H18 O2	2
A 80987 +1.0995	A 80987 [ C37 H43 N5 O6, overall=84.31, db=84.31, CAS ID=144141-97-9, KEGG ID=C15661, METLIN ID=71004 ]	144141-97-9		A 80987 +1.0995	+	653.3243	1.0995	84.31	C15661	(654.3316, 8985.97)(655.3352, 3936.59)(656.3388, 1143.19)	FindByMolecularFeature	C37 H43 N5 O6	2
a-[1-(ethylamino)ethyl]-p-hydroxy-Benzyl alcohol	a-[1-(ethylamino)ethyl]-p-hydroxy-Benzyl alcohol [ C11 H17 N O2, overall=68.18, db=68.18, CAS ID=18300-93-1, METLIN ID=2016 ]	18300-93-1		a-[1-(ethylamino)ethyl]-p-hydroxy-Benzyl alcohol	+	195.1261	6.685	68.18		(196.1336, 8742.68)(197.1371, 2014.28)(213.1593, 1134.48)	FindByMolecularFeature	C11 H17 N O2	2
Acarbose (M8)	Acarbose (M8) [ C12 H23 N O9, overall=70.98, db=70.98, CAS ID=, METLIN ID=766 ]			Acarbose (M8)	+	325.1372	2.363	70.98		(326.1452, 5459.8)(327.1471, 1178.31)	FindByMolecularFeature	C12 H23 N O9	2
Acexamic Acid +7.4985	Acexamic Acid [ C8 H15 N O3, overall=68.48, db=68.48, CAS ID=57-08-9, METLIN ID=44105 ]	57-08-9		Acexamic Acid +7.4985	+	190.1318	7.4985	68.48		(191.1391, 4730.39)(192.1409, 893.94)	FindByMolecularFeature	C8 H15 N O3	2
Actinidine	Actinidine [ C10 H13 N, overall=74.32, db=74.32, CAS ID=524-03-8, KEGG ID=C09910, METLIN ID=68002 ]	524-03-8		Actinidine	+	169.0853	3.8270001	74.32	C09910	(170.0926, 7350.11)(171.1014, 831.57)	FindByMolecularFeature	C10 H13 N	2
Ac-Tyr-OEt +5.34	Ac-Tyr-OEt [ C13 H17 N O4, overall=86.29, db=86.29, CAS ID=840-97-1, KEGG ID=C01657, METLIN ID=65627 ]	840-97-1		Ac-Tyr-OEt +5.34	+	251.1159	5.34	86.29	C01657	(252.1232, 12602.97)(253.1265, 1986.08)	FindByMolecularFeature	C13 H17 N O4	2
Agavegenin A	Agavegenin A [ C28 H48 O6, overall=49.18, db=49.18, Lipid ID=LMST01080072, METLIN ID=84223 ]			Agavegenin A	+	502.3298	1.346	49.18		(503.3371, 1777.98)(504.3377, 1176.94)	FindByMolecularFeature	C28 H48 O6	2		LMST01080072
Agomelatine	Agomelatine [ C15 H17 N O2, overall=63.38, db=63.38, CAS ID=138112-76-2, METLIN ID=45489 ]	138112-76-2		Agomelatine	+	243.1266	4.6385	63.38		(244.1335, 4129.63)(245.1377, 1253.11)	FindByMolecularFeature	C15 H17 N O2	2
Ala Ile Ile	Ala Ile Ile [ C15 H29 N3 O4, overall=27.91, db=27.91, METLIN ID=18363 ]			Ala Ile Ile	+	315.2148	6.0690002	27.91		(338.2044, 1639.3)(316.2223, 1883.05)(317.2204, 1540.1)	FindByMolecularFeature	C15 H29 N3 O4	2
Ala Trp Ala	Ala Trp Ala [ C17 H22 N4 O4, overall=85.71, db=85.71, METLIN ID=19017 ]			Ala Trp Ala	+	346.1632	1.3175	85.71		(369.1527, 4709.96)(370.158, 1187.42)(347.1711, 3118.41)(364.1968, 8431.82)(365.1991, 2043.51)(366.2015, 752.25)	FindByMolecularFeature	C17 H22 N4 O4	2
Ala Trp Glu	Ala Trp Glu [ C19 H24 N4 O6, overall=76.83, db=76.83, METLIN ID=21552 ]			Ala Trp Glu	+	426.1502	5.773	76.83		(427.1575, 7788.9)(428.1596, 1527.37)(429.1604, 831.78)	FindByMolecularFeature	C19 H24 N4 O6	2
albendazole sulfone	albendazole sulfone [ C12 H15 N3 O3 S, overall=74.03, db=74.03, CAS ID=, KEGG ID=C02809, METLIN ID=794 ]			albendazole sulfone	+	298.1101	4.9884996	74.03	C02809	(299.1174, 4637.41)(300.1213, 776.47)	FindByMolecularFeature	C12 H15 N3 O3 S	2
Allopumiliotoxin 267A +5.434	Allopumiliotoxin 267A [ C16 H29 N O2, overall=76.59, db=76.59, CAS ID=73376-38-2, KEGG ID=C20034, METLIN ID=73519 ]	73376-38-2		Allopumiliotoxin 267A +5.434	+	284.2465	5.434	76.59	C20034	(285.2538, 9608.29)(286.2571, 2460.78)	FindByMolecularFeature	C16 H29 N O2	2
Allopumiliotoxin 267A +5.5225	Allopumiliotoxin 267A [ C16 H29 N O2, overall=81.60, db=81.60, CAS ID=73376-38-2, KEGG ID=C20034, METLIN ID=73519 ]	73376-38-2		Allopumiliotoxin 267A +5.5225	+	284.2461	5.5225	81.6	C20034	(285.254, 3672.95)(286.258, 804.01)	FindByMolecularFeature	C16 H29 N O2	2
Allyl chloride	Allyl chloride [ C3 H5 Cl, overall=49.93, db=49.93, CAS ID=107-05-1, KEGG ID=C19316, METLIN ID=73026 ]	107-05-1		Allyl chloride	+	93.0338	7.701	49.93	C19316	(94.0412, 17339.66)(95.0483, 2254.85)	FindByMolecularFeature	C3 H5 Cl	2
alpha-Sanshool	alpha-Sanshool [ C16 H25 N O, overall=74.43, db=74.43, CAS ID=504-97-2, KEGG ID=C17091, METLIN ID=71552 ]	504-97-2		alpha-Sanshool	+	269.1742	3.824	74.43	C17091	(270.1819, 3876.63)(271.1846, 929.23)	FindByMolecularFeature	C16 H25 N O	2
Alpinine	Alpinine [ C23 H29 N O6, overall=66.17, db=66.17, CAS ID=14028-90-1, KEGG ID=C09331, METLIN ID=67607 ]	14028-90-1		Alpinine	+	415.1987	4.6235	66.17	C09331	(416.206, 3755.2)(417.2093, 1418.22)	FindByMolecularFeature	C23 H29 N O6	2
Amdinocillin	Amdinocillin [ C15 H23 N3 O3 S, overall=97.75, db=97.75, CAS ID=32887-01-7, METLIN ID=942 ]	32887-01-7		Amdinocillin	+	342.1724	7.736	97.75		(343.1796, 13979.07)(344.1822, 2276.41)(345.1787, 1039.13)	FindByMolecularFeature	C15 H23 N3 O3 S	2
aminocaproic acid +4.5415	aminocaproic acid [ C6 H13 N O2, overall=87.55, db=87.55, CAS ID=60-32-2, KEGG ID=C02378, METLIN ID=3926 ]	60-32-2		aminocaproic acid +4.5415	+	131.0947	4.5415	87.55	C02378	(132.1019, 15262.12)(133.1049, 1224.14)	FindByMolecularFeature	C6 H13 N O2	2
Amiprilose	Amiprilose [ C14 H27 N O6, overall=31.49, db=31.49, CAS ID=56824-20-5, METLIN ID=44328 ]	56824-20-5		Amiprilose	+	305.1859	1.4235001	31.49		(306.1935, 4586.07)(611.3799, 2066.85)	FindByMolecularFeature	C14 H27 N O6	2
Amiprilose +1.0855	Amiprilose [ C14 H27 N O6, overall=48.10, db=48.10, CAS ID=56824-20-5, METLIN ID=44328 ]	56824-20-5		Amiprilose +1.0855	+	305.1834	1.0855	48.1		(306.1906, 2222.48)(307.1913, 989.34)	FindByMolecularFeature	C14 H27 N O6	2
Ammodendrine +6.915	Ammodendrine [ C12 H20 N2 O, overall=49.81, db=49.81, CAS ID=494-15-5, KEGG ID=C10125, METLIN ID=68134 ]	494-15-5		Ammodendrine +6.915	+	230.1382	6.915	49.81	C10125	(231.1455, 3004.78)(232.1548, 1112.39)	FindByMolecularFeature	C12 H20 N2 O	2
AM-toxin I	AM-toxin I [ C23 H31 N3 O6, overall=48.05, db=48.05, CAS ID=53193-10-5, KEGG ID=C16786, METLIN ID=71340 ]	53193-10-5		AM-toxin I	+	467.2052	1.879	48.05	C16786	(468.212, 2021.2)(469.2169, 1097.68)	FindByMolecularFeature	C23 H31 N3 O6	2
AM-toxin I +6.5865	AM-toxin I [ C23 H31 N3 O6, overall=79.56, db=79.56, CAS ID=53193-10-5, KEGG ID=C16786, METLIN ID=71340 ]	53193-10-5		AM-toxin I +6.5865	+	462.247	6.5865	79.56	C16786	(463.2546, 4712.91)(464.2575, 1375.7)	FindByMolecularFeature	C23 H31 N3 O6	2
Anandamide (20:2, n-6) +1.2969999	Anandamide (20:2, n-6) [ C22 H41 N O2, overall=70.72, db=70.72, Lipid ID=LMFA08040002, METLIN ID=36738 ]			Anandamide (20:2, n-6) +1.2969999	+	351.3128	1.2969999	70.72		(352.3201, 2950.43)(353.3239, 997.53)	FindByMolecularFeature	C22 H41 N O2	2		LMFA08040002
Angolensic Acid, Methyl Ester	Angolensic Acid, Methyl Ester [ C27 H34 O7, overall=76.98, db=76.98, CAS ID=2629-14-3, METLIN ID=43664 ]	2629-14-3		Angolensic Acid, Methyl Ester	+	487.2601	1.0044999	76.98		(488.2674, 12924.81)(489.271, 3741.93)(490.2713, 1289.29)	FindByMolecularFeature	C27 H34 O7	2
Anhalonidine +6.065	Anhalonidine [ C12 H17 N O3, overall=55.49, db=55.49, KEGG ID=C16704, METLIN ID=71290 ]			Anhalonidine +6.065	+	223.1216	6.065	55.49	C16704	(224.1289, 5400.28)(225.1336, 1215.78)(226.127, 2190.69)	FindByMolecularFeature	C12 H17 N O3	2
Ansamitocin P3	Ansamitocin P3 [ C32 H43 Cl N2 O9, overall=47.29, db=47.29, Lipid ID=LMPK04000039, KEGG ID=C12045, METLIN ID=41004 ]			Ansamitocin P3	+	634.2646	1.246	47.29	C12045	(635.2711, 905.0)(636.2749, 908.07)(637.2873, 744.52)	FindByMolecularFeature	C32 H43 Cl N2 O9	2		LMPK04000039
Arene oxide +8.076	Arene oxide [ C6 H6 O, overall=81.01, db=81.01, KEGG ID=C01782, METLIN ID=65651 ]			Arene oxide +8.076	+	94.0417	8.076	81.01	C01782	(95.0489, 13615.59)(96.0511, 1289.79)	FindByMolecularFeature	C6 H6 O	2
Arg Gln Arg	Arg Gln Arg [ C17 H34 N10 O5, overall=58.64, db=58.64, METLIN ID=19907 ]			Arg Gln Arg	+	458.2722	4.29	58.64		(481.2616, 1283.32)(459.2794, 2464.4)(460.2824, 1083.25)	FindByMolecularFeature	C17 H34 N10 O5	2
Arg Met Cys	Arg Met Cys [ C14 H28 N6 O4 S2, overall=59.17, db=59.17, METLIN ID=19611 ]			Arg Met Cys	+	425.1876	1.492	59.17		(426.1949, 3107.51)(427.198, 1214.51)	FindByMolecularFeature	C14 H28 N6 O4 S2	2
Arg Trp Trp	Arg Trp Trp [ C28 H34 N8 O4, overall=60.37, db=60.37, METLIN ID=19915 ]			Arg Trp Trp	+	568.2494	1.2390001	60.37		(569.2571, 3156.87)(570.2594, 1304.69)	FindByMolecularFeature	C28 H34 N8 O4	2
Arg Trp Trp +1.241	Arg Trp Trp [ C28 H34 N8 O4, overall=69.21, db=69.21, METLIN ID=19915 ]			Arg Trp Trp +1.241	+	563.294	1.241	69.21		(564.3016, 11003.53)(565.3052, 3346.29)	FindByMolecularFeature	C28 H34 N8 O4	2
Arg-OEt	Arg-OEt [ C8 H18 N4 O2, overall=64.90, db=64.90, KEGG ID=C01404, METLIN ID=65589 ]			Arg-OEt	+	202.1432	8.868	64.9	C01404	(203.1505, 4669.63)(204.1554, 870.55)	FindByMolecularFeature	C8 H18 N4 O2	2
Asp Val Ser	Asp Val Ser [ C12 H21 N3 O7, overall=50.03, db=50.03, METLIN ID=16652 ]			Asp Val Ser	+	336.1674	1.6345	50.03		(337.1747, 3856.32)(338.1684, 1833.93)	FindByMolecularFeature	C12 H21 N3 O7	2
Aspidinol	Aspidinol [ C12 H16 O4, overall=52.37, db=52.37, CAS ID=519-40-4, KEGG ID=C10673, METLIN ID=68482 ]	519-40-4		Aspidinol	+	224.1052	1.521	52.37	C10673	(225.1125, 3184.55)(226.1131, 1096.0)	FindByMolecularFeature	C12 H16 O4	2
Atraton +6.509	Atraton [ C9 H17 N5 O, overall=70.32, db=70.32, CAS ID=1610-17-9, KEGG ID=C19098, METLIN ID=72840 ]	1610-17-9		Atraton +6.509	+	233.1266	6.509	70.32	C19098	(234.134, 5953.99)(235.1367, 1027.43)	FindByMolecularFeature	C9 H17 N5 O	2
Auriculasin	Auriculasin [ C25 H24 O6, overall=46.72, db=46.72, Lipid ID=LMPK12050247, METLIN ID=47754 ]			Auriculasin	+	442.1428	1.433	46.72		(443.1501, 2646.12)(444.1519, 1027.46)	FindByMolecularFeature	C25 H24 O6	2		LMPK12050247
Avermectin A1a monosaccharide +7.5135	Avermectin A1a monosaccharide [ C42 H62 O11, overall=63.83, db=63.83, CAS ID=, KEGG ID=C11982, METLIN ID=63693 ]			Avermectin A1a monosaccharide +7.5135	+	759.4541	7.5135	63.83	C11982	(760.4614, 6406.67)(761.464, 2608.09)	FindByMolecularFeature	C42 H62 O11	2
Barbital	Barbital [ C8 H12 N2 O3, overall=66.72, db=66.72, CAS ID=57-44-3, METLIN ID=492 ]	57-44-3		Barbital	+	184.0851	2.036	66.72		(185.0922, 4198.34)(186.0879, 631.73)	FindByMolecularFeature	C8 H12 N2 O3	2
Barbital +2.3965	Barbital [ C8 H12 N2 O3, overall=58.06, db=58.06, CAS ID=57-44-3, METLIN ID=492 ]	57-44-3		Barbital +2.3965	+	184.0845	2.3965	58.06		(185.0935, 3144.4)(186.0876, 647.8)	FindByMolecularFeature	C8 H12 N2 O3	2
Barbital +7.302	Barbital [ C8 H12 N2 O3, overall=82.83, db=82.83, CAS ID=57-44-3, METLIN ID=492 ]	57-44-3		Barbital +7.302	+	184.0849	7.302	82.83		(185.0921, 21109.04)(186.0961, 2619.63)	FindByMolecularFeature	C8 H12 N2 O3	2
Benazepril	Benazepril [ C24 H28 N2 O5, overall=75.14, db=75.14, CAS ID=86541-75-5, KEGG ID=C06843, METLIN ID=1256 ]	86541-75-5		Benazepril	+	424.1997	1.6545	75.14	C06843	(425.207, 5052.28)(426.2112, 1669.57)	FindByMolecularFeature	C24 H28 N2 O5	2
Benzyl chloride	Benzyl chloride [ C7 H7 Cl, overall=62.46, db=62.46, CAS ID=100-44-7, KEGG ID=C19167, METLIN ID=72902 ]	100-44-7		Benzyl chloride	+	143.0514	7.701	62.46	C19167	(144.0587, 15364.9)(145.0613, 1646.9)(146.0542, 925.27)	FindByMolecularFeature	C7 H7 Cl	2
Benzylbutylphthalate	Benzylbutylphthalate [ C19 H20 O4, overall=75.70, db=75.70, CAS ID=85-68-7, KEGG ID=C14211, METLIN ID=44515 ]	85-68-7		Benzylbutylphthalate	+	312.1363	1.0625	75.7	C14211	(313.1431, 3094.04)(314.1469, 865.93)	FindByMolecularFeature	C19 H20 O4	2
Benzyloxyphenylisoserine Methylester +1.994	Benzyloxyphenylisoserine Methylester [ C17 H17 N O4, overall=60.12, db=60.12, CAS ID=32981-85-4, METLIN ID=73564 ]	32981-85-4		Benzyloxyphenylisoserine Methylester +1.994	+	316.1426	1.994	60.12		(317.1501, 2530.1)(318.1531, 1022.3)	FindByMolecularFeature	C17 H17 N O4	2
Bestatin +7.646	Bestatin [ C16 H24 N2 O4, overall=81.03, db=81.03, CAS ID=65391-42-6, KEGG ID=C00732, METLIN ID=63060 ]	65391-42-6		Bestatin +7.646	+	308.1736	7.646	81.03	C00732	(309.1809, 9201.69)(310.184, 2259.44)(311.1853, 1134.85)	FindByMolecularFeature	C16 H24 N2 O4	2
Bestatin +8.5805	Bestatin [ C16 H24 N2 O4, overall=95.86, db=95.86, CAS ID=65391-42-6, KEGG ID=C00732, METLIN ID=63060 ]	65391-42-6		Bestatin +8.5805	+	308.1736	8.5805	95.86	C00732	(309.1809, 11735.81)(310.1839, 2368.2)(311.1859, 715.29)	FindByMolecularFeature	C16 H24 N2 O4	2
b-Glucose	b-Glucose [ C6 H12 O6, overall=54.39, db=54.39, CAS ID=492-61-5, KEGG ID=C00221, METLIN ID=3755, HMP ID=HMDB00516 ]	492-61-5		b-Glucose	+	197.0902	2.759	54.39	C00221	(198.0975, 5401.33)(199.1086, 657.22)(200.0949, 930.22)	FindByMolecularFeature	C6 H12 O6	2	HMDB00516
Bifenazate +2.097	Bifenazate [ C17 H20 N2 O3, overall=60.62, db=60.62, CAS ID=149877-41-8, KEGG ID=C18589, METLIN ID=72390 ]	149877-41-8		Bifenazate +2.097	+	300.1481	2.097	60.62	C18589	(301.1554, 4530.2)(302.1592, 1591.66)	FindByMolecularFeature	C17 H20 N2 O3	2
Bikhaconitine	Bikhaconitine [ C36 H51 N O11, overall=56.65, db=56.65, CAS ID=6078-26-8, KEGG ID=C08664, METLIN ID=67099 ]	6078-26-8		Bikhaconitine	+	690.3693	1.133	56.65	C08664	(691.3766, 4390.74)(692.3807, 1344.3)	FindByMolecularFeature	C36 H51 N O11	2
BILA 2185BS	BILA 2185BS [ C35 H46 N4 O4 S, overall=84.60, db=84.60, CAS ID=154612-58-5, KEGG ID=C15657, METLIN ID=71001 ]	154612-58-5		BILA 2185BS	+	635.352	1.205	84.6	C15657	(636.3593, 12539.63)(637.362, 4302.2)(638.3667, 899.04)	FindByMolecularFeature	C35 H46 N4 O4 S	2
Bioresmethrin	Bioresmethrin [ C22 H26 O3, overall=66.14, db=66.14, CAS ID=28434-01-7, KEGG ID=C16810, METLIN ID=71360 ]	28434-01-7		Bioresmethrin	+	360.1687	1.255	66.14	C16810	(361.176, 4190.68)(362.1809, 1417.31)	FindByMolecularFeature	C22 H26 O3	2
Bioresmethrin +6.0765	Bioresmethrin [ C22 H26 O3, overall=60.32, db=60.32, CAS ID=28434-01-7, KEGG ID=C16810, METLIN ID=71360 ]	28434-01-7		Bioresmethrin +6.0765	+	360.1684	6.0765	60.32	C16810	(361.1752, 4425.22)(362.18, 687.03)(363.1865, 550.3)	FindByMolecularFeature	C22 H26 O3	2
bis(4-fluorophenyl)-Methanone	bis(4-fluorophenyl)-Methanone [ C13 H8 F2 O, overall=62.04, db=62.04, CAS ID=345-92-6, METLIN ID=2735 ]	345-92-6		bis(4-fluorophenyl)-Methanone	+	235.078	7.7	62.04		(236.0854, 5304.16)(237.0889, 659.99)	FindByMolecularFeature	C13 H8 F2 O	2
B-Octylglucoside +1.194	B-Octylglucoside [ C14 H28 O6, overall=57.31, db=57.31, CAS ID=29836-26-8, METLIN ID=24055 ]	29836-26-8		B-Octylglucoside +1.194	+	309.2166	1.194	57.31		(310.2239, 7799.36)(311.2231, 3100.03)(312.2252, 799.03)	FindByMolecularFeature	C14 H28 O6	2
Bufotalin	Bufotalin [ C26 H36 O6, overall=99.39, db=99.39, CAS ID=471-95-4, KEGG ID=C16923, METLIN ID=71435 ]	471-95-4		Bufotalin	+	444.2509	1.9035001	99.39	C16923	(445.2582, 24744.4)(446.2619, 7331.3)(447.2654, 1390.19)	FindByMolecularFeature	C26 H36 O6	2
Bufotalin +3.264	Bufotalin [ C26 H36 O6, overall=80.04, db=80.04, CAS ID=471-95-4, KEGG ID=C16923, METLIN ID=71435 ]	471-95-4		Bufotalin +3.264	+	444.2506	3.264	80.04	C16923	(445.2579, 3407.34)(446.2622, 888.24)	FindByMolecularFeature	C26 H36 O6	2
Butralin +6.9285	Butralin [ C14 H21 N3 O4, overall=79.29, db=79.29, CAS ID=33629-47-9, KEGG ID=C18582, METLIN ID=72384 ]	33629-47-9		Butralin +6.9285	+	312.1797	6.9285	79.29	C18582	(313.187, 3730.16)(314.1893, 833.09)	FindByMolecularFeature	C14 H21 N3 O4	2
Byakangelicin	Byakangelicin [ C17 H18 O7, overall=39.89, db=39.89, CAS ID=482-25-7, KEGG ID=C09141, METLIN ID=67462 ]	482-25-7		Byakangelicin	+	334.1031	6.1759996	39.89	C09141	(357.0916, 1227.41)(335.1109, 1921.31)	FindByMolecularFeature	C17 H18 O7	2
C10 H17 N5 O3	[ C10 H17 N5 O3, overall=41.89, db=0.00, mfg=83.78 ]			C10 H17 N5 O3	+	255.1324	2.8325	41.89		(256.1396, 12285.57)(257.1422, 1799.57)	FindByMolecularFeature	C10 H17 N5 O3	2
C10 H17 N5 O3 +2.6525	[ C10 H17 N5 O3, overall=41.42, db=0.00, mfg=82.85 ]			C10 H17 N5 O3 +2.6525	+	255.1327	2.6525	41.42		(256.14, 5773.86)(257.1439, 875.25)	FindByMolecularFeature	C10 H17 N5 O3	2
C10 H18 N2 O S	[ C10 H18 N2 O S, overall=49.09, db=0.00, mfg=98.17 ]			C10 H18 N2 O S	+	214.1144	8.0765	49.09		(215.1217, 233134.53)(216.1246, 25773.28)(217.1194, 11472.68)(218.126, 1478.05)	FindByMolecularFeature	C10 H18 N2 O S	2
C10 H19 N5 O2	[ C10 H19 N5 O2, overall=43.46, db=0.00, mfg=86.92 ]			C10 H19 N5 O2	+	241.1541	9.046499	43.46		(242.1614, 19545.82)(243.1643, 2551.13)	FindByMolecularFeature	C10 H19 N5 O2	2
C10 H24 N6 O	[ C10 H24 N6 O, overall=39.44, db=0.00, mfg=78.88 ]			C10 H24 N6 O	+	244.2005	1.3305	39.44		(245.2078, 7367.9)(246.2099, 1361.25)	FindByMolecularFeature	C10 H24 N6 O	2
C11 H15 N2 O S	[ C11 H15 N2 O S, overall=41.42, db=0.00, mfg=82.83 ]			C11 H15 N2 O S	+	223.0907	7.7025003	41.42		(224.098, 19103.42)(225.1022, 3318.16)(226.1019, 1372.71)	FindByMolecularFeature	C11 H15 N2 O S	2
C11 H15 N3 O4 S	[ C11 H15 N3 O4 S, overall=49.37, db=0.00, mfg=98.74 ]			C11 H15 N3 O4 S	+	285.0786	6.2745	49.37		(308.0672, 1480.41)(286.0859, 166770.75)(287.0889, 22884.84)(288.0849, 8123.68)(289.0855, 842.54)	FindByMolecularFeature	C11 H15 N3 O4 S	2
C11 H20 N2 O3 S	[ C11 H20 N2 O3 S, overall=46.73, db=0.00, mfg=93.46 ]			C11 H20 N2 O3 S	+	260.1202	1.824	46.73		(261.1275, 8007.49)(262.1309, 1286.64)(263.1246, 706.29)	FindByMolecularFeature	C11 H20 N2 O3 S	2
C11 H22 N4 O3	[ C11 H22 N4 O3, overall=38.82, db=0.00, mfg=77.64 ]			C11 H22 N4 O3	+	258.1692	6.7644997	38.82		(259.1765, 14726.87)(260.1811, 2651.97)	FindByMolecularFeature	C11 H22 N4 O3	2
C11 H25 N	[ C11 H25 N, overall=41.17, db=0.00, mfg=82.35 ]			C11 H25 N	+	171.1984	4.37	41.17		(172.2057, 6720.27)(173.2084, 1103.85)	FindByMolecularFeature	C11 H25 N	2
C11 H9 N	[ C11 H9 N, overall=23.51, db=0.00, mfg=47.02 ]			C11 H9 N	+	155.0738	7.7384996	23.51		(156.0811, 3177.67)(311.1538, 2025.03)	FindByMolecularFeature	C11 H9 N	2
C12 H15 N4	[ C12 H15 N4, overall=23.03, db=0.00, mfg=46.06 ]			C12 H15 N4	+	215.1273	6.275	23.03		(216.1346, 2508.12)(217.1363, 587.62)(218.1386, 1539.75)(233.1641, 907.06)	FindByMolecularFeature	C12 H15 N4	2
C12 H18	[ C12 H18, overall=42.02, db=0.00, mfg=84.04 ]			C12 H18	+	162.1403	1.1425	42.02		(163.1476, 5468.13)(164.1513, 872.23)(180.1743, 721.12)	FindByMolecularFeature	C12 H18	2
C12 H19 N5	[ C12 H19 N5, overall=37.21, db=0.00, mfg=74.43 ]			C12 H19 N5	+	233.1629	6.27	37.21		(489.314, 5377.88)(234.1701, 8744.7)(235.1735, 1801.39)	FindByMolecularFeature	C12 H19 N5	2
C12 H26 N2 O S	[ C12 H26 N2 O S, overall=36.05, db=0.00, mfg=72.10 ]			C12 H26 N2 O S	+	246.1768	9.280001	36.05		(247.184, 5138.63)(248.1854, 953.32)	FindByMolecularFeature	C12 H26 N2 O S	2
C12 H26 O2 S2	[ C12 H26 O2 S2, overall=46.90, db=0.00, mfg=93.79 ]			C12 H26 O2 S2	+	266.1365	1.45	46.9		(267.1463, 1457.13)(284.1708, 8007.73)(285.174, 1181.11)(286.1715, 683.64)	FindByMolecularFeature	C12 H26 O2 S2	2
C12:4n-2,4,8,10	C12:4n-2,4,8,10 [ C12 H16 O2, overall=54.59, db=54.59, Lipid ID=LMFA01030240, METLIN ID=73915 ]			C12:4n-2,4,8,10	+	192.116	1.2715	54.59		(193.1233, 6883.17)(194.1218, 1904.21)(385.2361, 1119.93)	FindByMolecularFeature	C12 H16 O2	2		LMFA01030240
C12:5n-1,3,5,7,9	C12:5n-1,3,5,7,9 [ C12 H14 O2, overall=63.07, db=63.07, Lipid ID=LMFA01030243, METLIN ID=73918 ]			C12:5n-1,3,5,7,9	+	190.1002	1.6425	63.07		(191.1074, 4601.31)(192.1099, 1190.16)	FindByMolecularFeature	C12 H14 O2	2		LMFA01030243
C13 H20 N	[ C13 H20 N, overall=23.45, db=0.00, mfg=46.89 ]			C13 H20 N	+	190.1583	1.3505	23.45		(213.1484, 1262.47)(191.1656, 2001.58)	FindByMolecularFeature	C13 H20 N	2
C13 H23 N3 O S	[ C13 H23 N3 O S, overall=38.71, db=0.00, mfg=77.42 ]			C13 H23 N3 O S	+	269.1561	8.1395	38.71		(270.1635, 7735.58)(271.1658, 1323.25)	FindByMolecularFeature	C13 H23 N3 O S	2
C13 H28 Cl2 N6 O5 S	[ C13 H28 Cl2 N6 O5 S, overall=23.81, db=0.00, mfg=47.62 ]			C13 H28 Cl2 N6 O5 S	+	450.1227	6.24	23.81		(473.1116, 2387.59)(451.1292, 1495.41)	FindByMolecularFeature	C13 H28 Cl2 N6 O5 S	2
C13 H28 O3 S2 +2.839	[ C13 H28 O3 S2, overall=40.69, db=0.00, mfg=81.38 ]			C13 H28 O3 S2 +2.839	+	296.1477	2.839	40.69		(319.137, 4662.94)(320.14, 966.32)(297.1549, 5358.13)(298.161, 1016.97)(299.1573, 591.57)(314.1814, 2364.28)	FindByMolecularFeature	C13 H28 O3 S2	2
C13 H29 N +4.2725	[ C13 H29 N, overall=43.35, db=0.00, mfg=86.70 ]			C13 H29 N +4.2725	+	199.2301	4.2725	43.35		(200.2374, 42539.23)(201.2406, 7004.07)	FindByMolecularFeature	C13 H29 N	2
C14 H11 N2 O	[ C14 H11 N2 O, overall=33.77, db=0.00, mfg=67.54 ]			C14 H11 N2 O	+	223.0881	7.472	33.77		(224.0954, 4376.33)(225.099, 1097.27)	FindByMolecularFeature	C14 H11 N2 O	2
C14 H21 N8 O	[ C14 H21 N8 O, overall=41.73, db=0.00, mfg=83.46 ]			C14 H21 N8 O	+	317.1837	7.0334997	41.73		(318.191, 8116.3)(319.1931, 1777.62)	FindByMolecularFeature	C14 H21 N8 O	2
C14 H23 O2 S	[ C14 H23 O2 S, overall=40.59, db=0.00, mfg=81.18 ]			C14 H23 O2 S	+	255.1412	6.908	40.59		(256.1484, 5539.32)(257.1504, 1090.15)(258.1488, 763.68)	FindByMolecularFeature	C14 H23 O2 S	2
C14 H25 N5 O3	[ C14 H25 N5 O3, overall=35.88, db=0.00, mfg=71.76 ]			C14 H25 N5 O3	+	311.1953	6.6495	35.88		(312.2026, 4862.0)(313.2078, 1171.93)	FindByMolecularFeature	C14 H25 N5 O3	2
C14 H25 N5 O3 +7.276	[ C14 H25 N5 O3, overall=41.68, db=0.00, mfg=83.35 ]			C14 H25 N5 O3 +7.276	+	311.1954	7.276	41.68		(312.2029, 8092.76)(313.2065, 1634.72)	FindByMolecularFeature	C14 H25 N5 O3	2
C14 H26 Cl O4	[ C14 H26 Cl O4, overall=23.75, db=0.00, mfg=47.50 ]			C14 H26 Cl O4	+	293.1481	1.0934999	23.75		(294.1554, 8258.75)(295.1551, 3954.46)(311.1856, 1898.31)	FindByMolecularFeature	C14 H26 Cl O4	2
C14 H27 N5	[ C14 H27 N5, overall=23.09, db=0.00, mfg=46.18 ]			C14 H27 N5	+	265.2221	1.167	23.09		(288.2165, 1215.21)(266.2288, 2066.43)(267.2334, 944.55)	FindByMolecularFeature	C14 H27 N5	2
C14 H30 O3 +1.168	[ C14 H30 O3, overall=29.95, db=0.00, mfg=59.91 ]			C14 H30 O3 +1.168	+	246.22	1.168	29.95		(269.2091, 1452.91)(247.2273, 2025.6)(248.2316, 634.54)	FindByMolecularFeature	C14 H30 O3	2
C14 H30 O8	[ C14 H30 O8, overall=49.85, db=0.00, mfg=99.70 ]			C14 H30 O8	+	326.1942	3.25	49.85		(327.2013, 11681.11)(328.2042, 2078.05)(344.2281, 113062.05)(345.2313, 18953.78)(346.2338, 3575.25)	FindByMolecularFeature	C14 H30 O8	2
C14 H32 N4 O2	[ C14 H32 N4 O2, overall=42.75, db=0.00, mfg=85.49 ]			C14 H32 N4 O2	+	288.2522	6.3155003	42.75		(311.2414, 2238.2)(289.2595, 7929.34)(290.2624, 1500.33)	FindByMolecularFeature	C14 H32 N4 O2	2
C14:5n-1,3,5,7,9	C14:5n-1,3,5,7,9 [ C14 H18 O2, overall=75.26, db=75.26, Lipid ID=LMFA01030258, METLIN ID=73933 ]			C14:5n-1,3,5,7,9	+	218.1295	6.4165	75.26		(219.1368, 5711.88)(220.1401, 1162.24)	FindByMolecularFeature	C14 H18 O2	2		LMFA01030258
C15 H11 N2	[ C15 H11 N2, overall=38.07, db=0.00, mfg=76.13 ]			C15 H11 N2	+	219.0935	3.113	38.07		(220.1008, 5010.24)(221.0994, 832.55)	FindByMolecularFeature	C15 H11 N2	2
C15 H21 N9	[ C15 H21 N9, overall=40.22, db=0.00, mfg=80.44 ]			C15 H21 N9	+	327.1906	6.801	40.22		(328.1982, 2891.44)(329.2027, 599.43)	FindByMolecularFeature	C15 H21 N9	2
C15 H24 N4 O	[ C15 H24 N4 O, overall=36.82, db=0.00, mfg=73.64 ]			C15 H24 N4 O	+	276.1948	1.6489999	36.82		(299.184, 3225.36)(277.2017, 3561.26)(278.2065, 876.88)	FindByMolecularFeature	C15 H24 N4 O	2
C15 H32 N2 O2	[ C15 H32 N2 O2, overall=43.14, db=0.00, mfg=86.28 ]			C15 H32 N2 O2	+	272.2465	6.4160004	43.14		(273.2538, 9113.62)(274.2568, 1428.26)	FindByMolecularFeature	C15 H32 N2 O2	2
C15 H32 N4 O2	[ C15 H32 N4 O2, overall=38.04, db=0.00, mfg=76.09 ]			C15 H32 N4 O2	+	300.2526	9.138	38.04		(301.2599, 5983.95)(302.2632, 1523.26)	FindByMolecularFeature	C15 H32 N4 O2	2
C15 H5 N3 O	[ C15 H5 N3 O, overall=32.35, db=0.00, mfg=64.70 ]			C15 H5 N3 O	+	243.0419	1.5780001	32.35		(244.0492, 2214.57)(245.0532, 608.59)(261.0757, 715.09)	FindByMolecularFeature	C15 H5 N3 O	2
C15 H8 Cl N3 O	[ C15 H8 Cl N3 O, overall=23.81, db=0.00, mfg=47.62 ]			C15 H8 Cl N3 O	+	281.0357	1.477	23.81		(282.0432, 3434.75)(563.0785, 5655.19)	FindByMolecularFeature	C15 H8 Cl N3 O	2
C16 H20 N9	[ C16 H20 N9, overall=40.52, db=0.00, mfg=81.04 ]			C16 H20 N9	+	338.1845	1.7995	40.52		(361.1721, 676.71)(339.1918, 3438.16)(340.1924, 593.65)	FindByMolecularFeature	C16 H20 N9	2
C16 H22 N2 O4	[ C16 H22 N2 O4, overall=36.13, db=0.00, mfg=72.26 ]			C16 H22 N2 O4	+	306.1582	2.876	36.13		(329.1475, 2877.13)(330.1543, 1010.68)(635.305, 2227.08)(636.3085, 1234.56)(637.3131, 684.73)(307.1656, 12625.44)(308.169, 3668.73)(613.3217, 1990.28)(614.3262, 915.8)	FindByMolecularFeature	C16 H22 N2 O4	2
C16 H22 N2 O4 +2.9415	[ C16 H22 N2 O4, overall=49.77, db=0.00, mfg=99.53 ]			C16 H22 N2 O4 +2.9415	+	306.1581	2.9415	49.77		(329.1477, 1967.78)(330.151, 893.56)(635.3042, 1898.32)(307.1653, 14189.78)(308.1684, 2754.16)(309.169, 404.45)(613.3225, 2326.82)(614.3265, 750.41)	FindByMolecularFeature	C16 H22 N2 O4	2
C16 H28 N4 S	[ C16 H28 N4 S, overall=36.92, db=0.00, mfg=73.84 ]			C16 H28 N4 S	+	308.204	1.391	36.92		(309.211, 16947.23)(310.2153, 3397.7)	FindByMolecularFeature	C16 H28 N4 S	2
C16 H31 N2 O2	[ C16 H31 N2 O2, overall=34.14, db=0.00, mfg=68.28 ]			C16 H31 N2 O2	+	283.2387	9.002501	34.14		(284.2462, 12224.11)(285.2501, 1039.07)	FindByMolecularFeature	C16 H31 N2 O2	2
C16 H35 N S2	[ C16 H35 N S2, overall=23.65, db=0.00, mfg=47.30 ]			C16 H35 N S2	+	305.2194	1.1010001	23.65		(328.21, 1231.76)(306.2256, 1672.51)	FindByMolecularFeature	C16 H35 N S2	2
C16 H41 Cl2 N8	[ C16 H41 Cl2 N8, overall=25.54, db=0.00, mfg=51.07 ]			C16 H41 Cl2 N8	+	415.2871	1.1055	25.54		(416.2944, 2422.17)(417.2877, 533.82)(418.2779, 1748.55)	FindByMolecularFeature	C16 H41 Cl2 N8	2
C16 H9 N2	[ C16 H9 N2, overall=39.83, db=0.00, mfg=79.66 ]			C16 H9 N2	+	229.0779	6.67	39.83		(230.0851, 5597.78)(231.0887, 966.94)	FindByMolecularFeature	C16 H9 N2	2
C17 H18 N3 O	[ C17 H18 N3 O, overall=23.79, db=0.00, mfg=47.59 ]			C17 H18 N3 O	+	280.1464	2.01	23.79		(303.1343, 760.16)(281.1534, 4082.36)(282.1586, 1689.4)	FindByMolecularFeature	C17 H18 N3 O	2
C17 H32 N2 O	[ C17 H32 N2 O, overall=30.31, db=0.00, mfg=60.62 ]			C17 H32 N2 O	+	280.2511	5.1920004	30.31		(281.2584, 2835.04)(282.2635, 975.17)	FindByMolecularFeature	C17 H32 N2 O	2
C17 H34 N2 O	[ C17 H34 N2 O, overall=49.56, db=0.00, mfg=99.12 ]			C17 H34 N2 O	+	282.2672	5.108	49.56		(283.2745, 2424057.0)(284.2783, 455060.94)(285.281, 46287.14)(286.2842, 3546.04)	FindByMolecularFeature	C17 H34 N2 O	2
C17 H35 Cl N2 O2	[ C17 H35 Cl N2 O2, overall=49.49, db=0.00, mfg=98.98 ]			C17 H35 Cl N2 O2	+	334.2383	5.488	49.49		(335.2457, 22616.2)(336.249, 4495.78)(337.2437, 7195.32)(338.2461, 1364.9)	FindByMolecularFeature	C17 H35 Cl N2 O2	2
C17 H35 N8 O2	[ C17 H35 N8 O2, overall=32.14, db=0.00, mfg=64.29 ]			C17 H35 N8 O2	+	383.2883	1.4205	32.14		(384.2956, 1696.28)(385.297, 609.4)	FindByMolecularFeature	C17 H35 N8 O2	2
C17 H40 N3 O3 S	[ C17 H40 N3 O3 S, overall=23.78, db=0.00, mfg=47.56 ]			C17 H40 N3 O3 S	+	366.2771	1.13	23.78		(389.2684, 1333.56)(367.284, 1624.03)(384.3112, 3159.87)(385.3134, 1674.42)	FindByMolecularFeature	C17 H40 N3 O3 S	2
C17 H43 N16 O7 +6.7905	[ C17 H43 N16 O7, overall=39.71, db=0.00, mfg=79.41 ]			C17 H43 N16 O7 +6.7905	+	583.3491	6.7905	39.71		(584.3564, 18249.44)(585.3591, 3792.04)	FindByMolecularFeature	C17 H43 N16 O7	2
C17 N O18 S2	[ C17 N O18 S2, overall=26.29, db=0.00, mfg=52.57 ]			C17 N O18 S2	+	569.8535	6.773	26.29		(570.8608, 24397.5)(571.8629, 2337.03)	FindByMolecularFeature	C17 N O18 S2	2
C18 H O19 S2	[ C18 H O19 S2, overall=25.24, db=0.00, mfg=50.48 ]			C18 H O19 S2	+	584.8586	6.948	25.24		(585.8653, 11312.42)(586.8689, 1484.22)	FindByMolecularFeature	C18 H O19 S2	2
C18 H13 N5 O15 S	[ C18 H13 N5 O15 S, overall=30.86, db=0.00, mfg=61.73 ]			C18 H13 N5 O15 S	+	571.0145	7.957	30.86		(572.021, 9363.04)(573.0224, 1056.29)	FindByMolecularFeature	C18 H13 N5 O15 S	2
C18 H18 N2	[ C18 H18 N2, overall=23.80, db=0.00, mfg=47.60 ]			C18 H18 N2	+	262.1462	1.1170001	23.8		(263.1513, 2027.51)(280.1809, 2180.77)	FindByMolecularFeature	C18 H18 N2	2
C18 H25 N2 O	[ C18 H25 N2 O, overall=37.56, db=0.00, mfg=75.12 ]			C18 H25 N2 O	+	285.1985	1.187	37.56		(286.2049, 1446.69)(303.2322, 2981.6)(304.2357, 684.2)	FindByMolecularFeature	C18 H25 N2 O	2
C18 H38 O13	[ C18 H38 O13, overall=49.58, db=0.00, mfg=99.15 ]			C18 H38 O13	+	462.2309	6.0575	49.58		(485.2201, 26282.6)(486.2232, 5154.82)(487.2259, 1370.71)(463.2386, 1470.58)	FindByMolecularFeature	C18 H38 O13	2
C18 H44 N6 S3	[ C18 H44 N6 S3, overall=23.80, db=0.00, mfg=47.61 ]			C18 H44 N6 S3	+	440.279	1.415	23.8		(463.2681, 1197.25)(441.29, 1655.44)(442.2913, 577.06)(443.3019, 1739.17)	FindByMolecularFeature	C18 H44 N6 S3	2
C18 H9 N2 O	[ C18 H9 N2 O, overall=42.02, db=0.00, mfg=84.04 ]			C18 H9 N2 O	+	269.0724	1.5139999	42.02		(292.0622, 1055.03)(270.0796, 9876.13)(271.0826, 1970.86)	FindByMolecularFeature	C18 H9 N2 O	2
C19 H15 Cl N6 O4 S2	[ C19 H15 Cl N6 O4 S2, overall=35.79, db=0.00, mfg=71.59 ]			C19 H15 Cl N6 O4 S2	+	490.0295	1.1115	35.79		(491.0368, 1968.22)(492.0379, 883.16)(493.0321, 1040.02)	FindByMolecularFeature	C19 H15 Cl N6 O4 S2	2
C19 H16 N O S	[ C19 H16 N O S, overall=36.89, db=0.00, mfg=73.79 ]			C19 H16 N O S	+	306.0957	2.0965	36.89		(307.1025, 3317.5)(324.1289, 5031.27)(325.1332, 1161.95)	FindByMolecularFeature	C19 H16 N O S	2
C19 H23 N15 O5	[ C19 H23 N15 O5, overall=39.73, db=0.00, mfg=79.47 ]			C19 H23 N15 O5	+	541.1992	1.0755	39.73		(542.2073, 2905.32)(543.2108, 836.54)	FindByMolecularFeature	C19 H23 N15 O5	2
C19 H25 N2 S +2.882	[ C19 H25 N2 S, overall=38.21, db=0.00, mfg=76.43 ]			C19 H25 N2 S +2.882	+	313.1737	2.882	38.21		(314.1809, 4302.3)(315.1844, 929.96)	FindByMolecularFeature	C19 H25 N2 S	2
C19 H36 N16 O9	[ C19 H36 N16 O9, overall=39.27, db=0.00, mfg=78.54 ]			C19 H36 N16 O9	+	632.2847	1.516	39.27		(633.292, 4291.46)(634.2952, 1241.74)	FindByMolecularFeature	C19 H36 N16 O9	2
C19 H41 N O4	[ C19 H41 N O4, overall=29.57, db=0.00, mfg=59.15 ]			C19 H41 N O4	+	347.3046	1.1175001	29.57		(370.2942, 1303.55)(348.3112, 3408.15)(349.3126, 1325.41)	FindByMolecularFeature	C19 H41 N O4	2
C19 H48 N16 O8	[ C19 H48 N16 O8, overall=38.29, db=0.00, mfg=76.58 ]			C19 H48 N16 O8	+	628.3826	7.0785	38.29		(629.3898, 12665.6)(630.3938, 3494.69)	FindByMolecularFeature	C19 H48 N16 O8	2
C19 H51 N14 O10	[ C19 H51 N14 O10, overall=40.10, db=0.00, mfg=80.20 ]			C19 H51 N14 O10	+	635.3915	7.104	40.1		(636.3988, 6845.15)(637.4015, 1745.43)	FindByMolecularFeature	C19 H51 N14 O10	2
C19 H6 N5 O11 S	[ C19 H6 N5 O11 S, overall=34.47, db=0.00, mfg=68.95 ]			C19 H6 N5 O11 S	+	511.9782	7.5005	34.47		(512.9854, 7805.98)(513.9892, 1389.0)	FindByMolecularFeature	C19 H6 N5 O11 S	2
C19 N2 O17 S2	[ C19 N2 O17 S2, overall=25.78, db=0.00, mfg=51.57 ]			C19 N2 O17 S2	+	591.8664	6.885	25.78		(592.8737, 14026.98)(593.8761, 1738.26)	FindByMolecularFeature	C19 N2 O17 S2	2
C20 H21 N9 S3	[ C20 H21 N9 S3, overall=42.68, db=0.00, mfg=85.37 ]			C20 H21 N9 S3	+	483.1082	1.0925	42.68		(484.1155, 3049.75)(485.1179, 1117.09)(486.1136, 765.72)	FindByMolecularFeature	C20 H21 N9 S3	2
C20 H35 N15 O2	[ C20 H35 N15 O2, overall=41.31, db=0.00, mfg=82.63 ]			C20 H35 N15 O2	+	517.31	6.4040003	41.31		(518.3173, 11260.16)(519.3202, 2847.17)	FindByMolecularFeature	C20 H35 N15 O2	2
C20 H39 N14	[ C20 H39 N14, overall=38.52, db=0.00, mfg=77.04 ]			C20 H39 N14	+	475.347	4.304	38.52		(476.3544, 4783.41)(477.3598, 1394.98)	FindByMolecularFeature	C20 H39 N14	2
C20 H42 N16 S	[ C20 H42 N16 S, overall=23.81, db=0.00, mfg=47.62 ]			C20 H42 N16 S	+	538.3507	1.34	23.81		(561.3391, 909.69)(539.3602, 1373.45)(556.3835, 1601.77)	FindByMolecularFeature	C20 H42 N16 S	2
C20 H43 N	[ C20 H43 N, overall=41.39, db=0.00, mfg=82.79 ]			C20 H43 N	+	297.3396	3.8215	41.39		(298.347, 25734.86)(299.3506, 6708.5)	FindByMolecularFeature	C20 H43 N	2
C20 H49 N8 O10 S	[ C20 H49 N8 O10 S, overall=44.63, db=0.00, mfg=89.26 ]			C20 H49 N8 O10 S	+	593.3295	1.408	44.63		(616.3175, 2616.25)(617.315, 779.41)(594.3368, 120277.02)(595.3393, 26459.15)(596.3422, 4191.0)	FindByMolecularFeature	C20 H49 N8 O10 S	2
C20 H5 N3 O6	[ C20 H5 N3 O6, overall=38.01, db=0.00, mfg=76.01 ]			C20 H5 N3 O6	+	383.0186	1.573	38.01		(406.0078, 1112.3)(384.0256, 2768.57)(385.0282, 809.58)	FindByMolecularFeature	C20 H5 N3 O6	2
C21 Cl3 N2 O4 S	[ C21 Cl3 N2 O4 S, overall=23.81, db=0.00, mfg=47.62 ]			C21 Cl3 N2 O4 S	+	480.8668	6.0214996	23.81		(481.8717, 968.81)(498.9012, 1747.97)	FindByMolecularFeature	C21 Cl3 N2 O4 S	2
C21 H47 Cl N8 S	[ C21 H47 Cl N8 S, overall=36.39, db=0.00, mfg=72.79 ]			C21 H47 Cl N8 S	+	478.3293	1.4355	36.39		(479.3366, 3020.43)(480.3396, 647.59)(481.349, 1327.49)	FindByMolecularFeature	C21 H47 Cl N8 S	2
C21 H48 Cl2 N6 O S	[ C21 H48 Cl2 N6 O S, overall=23.81, db=0.00, mfg=47.61 ]			C21 H48 Cl2 N6 O S	+	502.2983	4.5905	23.81		(525.2879, 1036.85)(503.3056, 1679.39)	FindByMolecularFeature	C21 H48 Cl2 N6 O S	2
C21 H48 N3 S2	[ C21 H48 N3 S2, overall=46.03, db=0.00, mfg=92.06 ]			C21 H48 N3 S2	+	406.3294	1.2585	46.03		(407.3356, 1368.86)(424.3633, 17917.57)(425.3674, 4590.07)(426.3582, 2090.69)	FindByMolecularFeature	C21 H48 N3 S2	2
C21 H52 N16 O9	[ C21 H52 N16 O9, overall=37.15, db=0.00, mfg=74.29 ]			C21 H52 N16 O9	+	672.4085	7.3745003	37.15		(673.4159, 10260.08)(674.4205, 3067.06)	FindByMolecularFeature	C21 H52 N16 O9	2
C22 H12 N O S2	[ C22 H12 N O S2, overall=44.73, db=0.00, mfg=89.46 ]			C22 H12 N O S2	+	370.0355	0.76100004	44.73		(393.0246, 889.5)(371.0428, 9866.74)(372.0459, 2155.28)(373.0462, 1206.0)	FindByMolecularFeature	C22 H12 N O S2	2
C22 H39 N12 O2	[ C22 H39 N12 O2, overall=38.93, db=0.00, mfg=77.85 ]			C22 H39 N12 O2	+	503.3308	3.0915	38.93		(504.3381, 2811.48)(505.3423, 880.71)	FindByMolecularFeature	C22 H39 N12 O2	2
C22 H4 O26 S	[ C22 H4 O26 S, overall=31.25, db=0.00, mfg=62.49 ]			C22 H4 O26 S	+	715.8706	5.6885	31.25		(716.8779, 2639.36)(717.8828, 780.2)(1432.7357, 822.57)	FindByMolecularFeature	C22 H4 O26 S	2
C22 H46 Cl N9 O	[ C22 H46 Cl N9 O, overall=37.32, db=0.00, mfg=74.64 ]			C22 H46 Cl N9 O	+	487.3515	1.341	37.32		(510.3421, 1390.82)(488.358, 2290.21)(489.3581, 620.69)(490.3622, 883.08)	FindByMolecularFeature	C22 H46 Cl N9 O	2
C22 H47 N	[ C22 H47 N, overall=49.86, db=0.00, mfg=99.73 ]			C22 H47 N	+	325.371	3.7745	49.86		(326.3782, 256397.11)(327.3815, 60407.28)(328.3849, 7224.69)	FindByMolecularFeature	C22 H47 N	2
C22 H51 N5 S3	[ C22 H51 N5 S3, overall=23.81, db=0.00, mfg=47.61 ]			C22 H51 N5 S3	+	481.3275	1.3255	23.81		(482.338, 1206.46)(499.362, 1867.63)	FindByMolecularFeature	C22 H51 N5 S3	2
C22 N O19 S	[ C22 N O19 S, overall=29.86, db=0.00, mfg=59.72 ]			C22 N O19 S	+	613.8801	6.9954996	29.86		(614.8873, 7786.31)(615.8915, 1214.31)	FindByMolecularFeature	C22 N O19 S	2
C22:5n-3,7,10,14,18 +1.689	C22:5n-3,7,10,14,18 [ C22 H34 O2, overall=67.30, db=67.30, Lipid ID=LMFA01030183, METLIN ID=73871 ]			C22:5n-3,7,10,14,18 +1.689	+	352.2399	1.689	67.3		(353.2472, 2274.87)(354.2503, 674.98)	FindByMolecularFeature	C22 H34 O2	2		LMFA01030183
C23 H15 N2 O24	[ C23 H15 N2 O24, overall=34.76, db=0.00, mfg=69.52 ]			C23 H15 N2 O24	+	703.0021	5.021	34.76		(704.0096, 3396.81)(705.013, 640.87)	FindByMolecularFeature	C23 H15 N2 O24	2
C23 H22 N20 O5	[ C23 H22 N20 O5, overall=39.09, db=0.00, mfg=78.19 ]			C23 H22 N20 O5	+	658.2084	6.0555	39.09		(659.2157, 5033.06)(660.2188, 1622.87)	FindByMolecularFeature	C23 H22 N20 O5	2
C23 H32 +1.0035	[ C23 H32, overall=40.37, db=0.00, mfg=80.73 ]			C23 H32 +1.0035	+	308.2503	1.0035	40.37		(309.2576, 4779.29)(310.2618, 1399.12)	FindByMolecularFeature	C23 H32	2
C23 H40 N19 O8	[ C23 H40 N19 O8, overall=35.43, db=0.00, mfg=70.85 ]			C23 H40 N19 O8	+	710.3293	1.477	35.43		(711.3365, 5220.58)(712.3414, 1890.82)	FindByMolecularFeature	C23 H40 N19 O8	2
C23 H43 N S	[ C23 H43 N S, overall=35.58, db=0.00, mfg=71.17 ]			C23 H43 N S	+	365.3138	1.224	35.58		(366.3211, 9096.63)(367.3236, 2493.93)(368.3159, 1609.14)	FindByMolecularFeature	C23 H43 N S	2
C23 H44 N8 O3	[ C23 H44 N8 O3, overall=36.64, db=0.00, mfg=73.29 ]			C23 H44 N8 O3	+	480.3525	1.204	36.64		(503.3356, 1054.04)(481.3598, 1862.18)(482.3638, 648.66)	FindByMolecularFeature	C23 H44 N8 O3	2
C23 H45 N4 O2	[ C23 H45 N4 O2, overall=37.29, db=0.00, mfg=74.58 ]			C23 H45 N4 O2	+	409.3546	1.2490001	37.29		(410.3619, 3577.53)(411.3639, 1216.95)	FindByMolecularFeature	C23 H45 N4 O2	2
C23 H50 Cl2 N3 O2	[ C23 H50 Cl2 N3 O2, overall=23.79, db=0.00, mfg=47.58 ]			C23 H50 Cl2 N3 O2	+	470.3264	1.338	23.79		(493.3171, 2048.36)(471.3349, 1495.93)(472.3482, 865.64)(473.333, 683.25)	FindByMolecularFeature	C23 H50 Cl2 N3 O2	2
C23 H52 N17 O8	[ C23 H52 N17 O8, overall=30.53, db=0.00, mfg=61.07 ]			C23 H52 N17 O8	+	694.4185	7.2605	30.53		(695.4258, 7487.22)(696.4282, 948.15)	FindByMolecularFeature	C23 H52 N17 O8	2
C24 H N3 O18 S	[ C24 H N3 O18 S, overall=31.16, db=0.00, mfg=62.32 ]			C24 H N3 O18 S	+	650.8974	7.2615004	31.16		(651.9047, 8677.33)(652.9085, 1324.13)	FindByMolecularFeature	C24 H N3 O18 S	2
C24 H13 N	[ C24 H13 N, overall=40.52, db=0.00, mfg=81.05 ]			C24 H13 N	+	315.1047	1.627	40.52		(316.1124, 5120.97)(317.114, 1216.45)(333.1365, 717.53)	FindByMolecularFeature	C24 H13 N	2
C24 H23 N13 S2	[ C24 H23 N13 S2, overall=43.48, db=0.00, mfg=86.96 ]			C24 H23 N13 S2	+	557.1657	1.04	43.48		(558.173, 6636.76)(559.1729, 2320.48)(560.1695, 712.9)	FindByMolecularFeature	C24 H23 N13 S2	2
C24 H30 N4 O6	[ C24 H30 N4 O6, overall=45.53, db=0.00, mfg=91.06 ]			C24 H30 N4 O6	+	470.2161	5.4595003	45.53		(471.2233, 12225.98)(472.2266, 3226.85)(473.2323, 1139.5)	FindByMolecularFeature	C24 H30 N4 O6	2
C24 H35 N12 O	[ C24 H35 N12 O, overall=38.75, db=0.00, mfg=77.49 ]			C24 H35 N12 O	+	507.3044	1.2325	38.75		(508.3117, 4796.54)(509.3163, 1520.17)	FindByMolecularFeature	C24 H35 N12 O	2
C24 H38 O S	[ C24 H38 O S, overall=26.47, db=0.00, mfg=52.95 ]			C24 H38 O S	+	374.2669	1.4805	26.47		(397.2568, 1415.46)(398.2579, 702.21)(399.2411, 800.11)(375.2736, 2436.24)(376.2747, 1058.87)	FindByMolecularFeature	C24 H38 O S	2
C24 H49 N22	[ C24 H49 N22, overall=35.35, db=0.00, mfg=70.70 ]			C24 H49 N22	+	645.4499	5.023	35.35		(646.4572, 1762.96)(647.462, 716.15)	FindByMolecularFeature	C24 H49 N22	2
C24 H56 N17 O13	[ C24 H56 N17 O13, overall=36.85, db=0.00, mfg=73.69 ]			C24 H56 N17 O13	+	790.423	1.125	36.85		(791.4303, 7441.99)(792.4335, 2351.52)	FindByMolecularFeature	C24 H56 N17 O13	2
C24 H8 N3 O25 +7.4055	[ C24 H8 N3 O25, overall=31.01, db=0.00, mfg=62.02 ]			C24 H8 N3 O25 +7.4055	+	737.9419	7.4055	31.01		(738.9507, 6551.73)(739.9518, 1133.99)	FindByMolecularFeature	C24 H8 N3 O25	2
C25 H3 N4 O21 S	[ C25 H3 N4 O21 S, overall=31.17, db=0.00, mfg=62.34 ]			C25 H3 N4 O21 S	+	726.9016	1.118	31.17		(727.9089, 5932.81)(728.9121, 1045.76)	FindByMolecularFeature	C25 H3 N4 O21 S	2
C25 H34 N7 O2	[ C25 H34 N7 O2, overall=39.58, db=0.00, mfg=79.15 ]			C25 H34 N7 O2	+	464.2767	1.6500001	39.58		(465.284, 4266.25)(466.2879, 1384.3)	FindByMolecularFeature	C25 H34 N7 O2	2
C25 H36 N7 O2	[ C25 H36 N7 O2, overall=39.65, db=0.00, mfg=79.30 ]			C25 H36 N7 O2	+	466.293	1.858	39.65		(489.2826, 1157.98)(467.3006, 6428.83)(468.3033, 2152.62)	FindByMolecularFeature	C25 H36 N7 O2	2
C25 H45 N +3.7875	[ C25 H45 N, overall=41.90, db=0.00, mfg=83.80 ]			C25 H45 N +3.7875	+	359.3552	3.7875	41.9		(360.3625, 10091.74)(361.3653, 2638.74)	FindByMolecularFeature	C25 H45 N	2
C25 H45 N20 O2	[ C25 H45 N20 O2, overall=37.07, db=0.00, mfg=74.13 ]			C25 H45 N20 O2	+	657.4042	7.215	37.07		(658.4115, 2833.91)(659.4126, 1128.01)	FindByMolecularFeature	C25 H45 N20 O2	2
C25 H49 Cl N O7	[ C25 H49 Cl N O7, overall=23.81, db=0.00, mfg=47.62 ]			C25 H49 Cl N O7	+	510.3199	1.4485	23.81		(533.309, 1029.12)(511.3272, 1205.56)(512.3385, 801.35)(528.354, 806.71)	FindByMolecularFeature	C25 H49 Cl N O7	2
C25 H49 N5 O4	[ C25 H49 N5 O4, overall=37.43, db=0.00, mfg=74.86 ]			C25 H49 N5 O4	+	483.3776	1.5705	37.43		(484.3848, 3568.56)(485.3891, 1233.12)	FindByMolecularFeature	C25 H49 N5 O4	2
C25 H49 O S	[ C25 H49 O S, overall=26.08, db=0.00, mfg=52.16 ]			C25 H49 O S	+	397.3496	4.211	26.08		(398.3569, 2548.41)(399.3652, 1100.66)	FindByMolecularFeature	C25 H49 O S	2
C25 H5 O21 S	[ C25 H5 O21 S, overall=25.95, db=0.00, mfg=51.90 ]			C25 H5 O21 S	+	672.9059	7.198	25.95		(673.9132, 5001.44)(674.9003, 709.61)	FindByMolecularFeature	C25 H5 O21 S	2
C25 H51 N8 O2	[ C25 H51 N8 O2, overall=39.05, db=0.00, mfg=78.10 ]			C25 H51 N8 O2	+	495.414	1.2444999	39.05		(496.4206, 2767.05)(497.4233, 964.63)	FindByMolecularFeature	C25 H51 N8 O2	2
C25 H52 N6 O8 S5	[ C25 H52 N6 O8 S5, overall=37.50, db=0.00, mfg=75.01 ]			C25 H52 N6 O8 S5	+	724.2436	5.9965	37.5		(725.2509, 2648.29)(726.2542, 792.2)(727.2651, 791.02)	FindByMolecularFeature	C25 H52 N6 O8 S5	2
C26 H11 N4 O28	[ C26 H11 N4 O28, overall=31.56, db=0.00, mfg=63.12 ]			C26 H11 N4 O28	+	826.9536	1.105	31.56		(827.9599, 5339.29)(828.9624, 846.73)(829.9825, 338.83)	FindByMolecularFeature	C26 H11 N4 O28	2
C26 H12 N3 O26	[ C26 H12 N3 O26, overall=31.35, db=0.00, mfg=62.70 ]			C26 H12 N3 O26	+	781.9689	7.648	31.35		(782.9762, 3421.43)(783.9814, 694.75)	FindByMolecularFeature	C26 H12 N3 O26	2
C26 H2 O19 S	[ C26 H2 O19 S, overall=29.49, db=0.00, mfg=58.98 ]			C26 H2 O19 S	+	649.8902	7.107	29.49		(650.8975, 9772.34)(651.8995, 1379.87)	FindByMolecularFeature	C26 H2 O19 S	2
C26 H23 N10 O3 S	[ C26 H23 N10 O3 S, overall=44.51, db=0.00, mfg=89.02 ]			C26 H23 N10 O3 S	+	555.1677	1.0385001	44.51		(556.175, 40865.14)(557.1753, 15370.67)(558.1732, 5398.86)	FindByMolecularFeature	C26 H23 N10 O3 S	2
C26 H30 N11 O +2.9359999	[ C26 H30 N11 O, overall=34.79, db=0.00, mfg=69.58 ]			C26 H30 N11 O +2.9359999	+	512.2631	2.9359999	34.79		(513.2704, 2701.89)(514.2723, 1145.82)	FindByMolecularFeature	C26 H30 N11 O	2
C26 H40 O8	[ C26 H40 O8, overall=49.86, db=0.00, mfg=99.71 ]			C26 H40 O8	+	480.2721	1.9035001	49.86		(503.2612, 19824.65)(504.2649, 6287.96)(505.2689, 1240.87)(983.5328, 7558.63)(984.5364, 4184.38)(985.5401, 1485.23)(481.2795, 35621.14)(482.2827, 10229.31)(483.2867, 2152.23)(484.2875, 265.54)(498.3059, 93116.27)(499.3096, 26707.21)(500.3127, 5305.39)(501.316, 1139.28)(978.5776, 11249.27)(979.5804, 5999.09)(980.5843, 2231.01)(961.5482, 885.4)	FindByMolecularFeature	C26 H40 O8	2
C26 H40 O8 +2.5349998	[ C26 H40 O8, overall=49.69, db=0.00, mfg=99.38 ]			C26 H40 O8 +2.5349998	+	480.272	2.5349998	49.69		(503.261, 12126.38)(504.2648, 3873.41)(505.2677, 878.57)(983.5329, 1796.74)(984.5334, 1188.38)(481.2794, 48820.74)(482.283, 14594.23)(483.2863, 3024.13)(498.3058, 31259.77)(499.3094, 9509.88)(500.3127, 2106.36)(978.577, 1563.24)(979.58, 1095.86)	FindByMolecularFeature	C26 H40 O8	2
C26 H40 O8 +3.2610002	[ C26 H40 O8, overall=49.85, db=0.00, mfg=99.70 ]			C26 H40 O8 +3.2610002	+	480.2723	3.2610002	49.85		(503.2617, 17366.92)(504.2653, 5326.73)(505.2687, 1230.42)(983.5323, 4576.37)(984.5363, 2634.57)(985.5391, 985.59)(481.2795, 57634.69)(482.2829, 17254.56)(483.2857, 3332.42)(484.2898, 235.38)(498.3062, 114409.3)(499.3096, 36637.92)(500.3121, 7724.53)(501.315, 838.47)(961.5501, 935.68)(962.5552, 668.92)	FindByMolecularFeature	C26 H40 O8	2
C26 H46 N12	[ C26 H46 N12, overall=35.38, db=0.00, mfg=70.76 ]			C26 H46 N12	+	526.3948	3.8605	35.38		(527.403, 2234.93)(528.4076, 899.99)	FindByMolecularFeature	C26 H46 N12	2
C26 H46 S	[ C26 H46 S, overall=42.22, db=0.00, mfg=84.43 ]			C26 H46 S	+	390.3336	1.2035	42.22		(391.3398, 2040.0)(408.3677, 7489.7)(409.3716, 2202.47)(410.3572, 546.75)	FindByMolecularFeature	C26 H46 S	2
C26 H53 N8 O2	[ C26 H53 N8 O2, overall=38.01, db=0.00, mfg=76.02 ]			C26 H53 N8 O2	+	509.4286	1.2205	38.01		(510.4355, 3448.09)(511.4412, 1104.75)	FindByMolecularFeature	C26 H53 N8 O2	2
C26 H53 N8 O4	[ C26 H53 N8 O4, overall=39.74, db=0.00, mfg=79.48 ]			C26 H53 N8 O4	+	541.4187	1.6765001	39.74		(542.4258, 2539.52)(543.4296, 800.48)	FindByMolecularFeature	C26 H53 N8 O4	2
C26 H54 N O10 S3	[ C26 H54 N O10 S3, overall=42.40, db=0.00, mfg=84.79 ]			C26 H54 N O10 S3	+	636.2909	5.9805	42.4		(659.2815, 2229.45)(660.2823, 1062.45)(637.2976, 3800.49)(638.3008, 1214.77)(639.3064, 785.28)	FindByMolecularFeature	C26 H54 N O10 S3	2
C27 H2 N3 O9	[ C27 H2 N3 O9, overall=37.49, db=0.00, mfg=74.99 ]			C27 H2 N3 O9	+	511.9792	7.7775	37.49		(512.9864, 3869.74)(513.9873, 1071.87)	FindByMolecularFeature	C27 H2 N3 O9	2
C27 H20 N11 O15	[ C27 H20 N11 O15, overall=36.55, db=0.00, mfg=73.11 ]			C27 H20 N11 O15	+	738.1134	9.127501	36.55		(739.1206, 3648.93)(740.1238, 1240.02)	FindByMolecularFeature	C27 H20 N11 O15	2
C27 H3 N5 O20	[ C27 H3 N5 O20, overall=31.44, db=0.00, mfg=62.88 ]			C27 H3 N5 O20	+	716.9376	7.5559998	31.44		(717.9448, 3342.44)(718.9498, 621.5)	FindByMolecularFeature	C27 H3 N5 O20	2
C27 H32 N2	[ C27 H32 N2, overall=49.90, db=0.00, mfg=99.80 ]			C27 H32 N2	+	384.2565	3.929	49.9		(385.2638, 71926.18)(386.2668, 21308.99)(387.27, 3237.84)	FindByMolecularFeature	C27 H32 N2	2
C27 H38 N4 O3	[ C27 H38 N4 O3, overall=46.21, db=0.00, mfg=92.41 ]			C27 H38 N4 O3	+	466.2932	1.5795	46.21		(489.2825, 2553.72)(490.2852, 916.14)(467.3003, 19174.45)(468.3044, 6145.31)(469.3147, 918.86)	FindByMolecularFeature	C27 H38 N4 O3	2
C27 H43 N18 O	[ C27 H43 N18 O, overall=38.90, db=0.00, mfg=77.80 ]			C27 H43 N18 O	+	635.3848	8.616501	38.9		(636.3935, 2682.69)(637.3956, 986.93)	FindByMolecularFeature	C27 H43 N18 O	2
C27 H54 Cl2 N3 O2	[ C27 H54 Cl2 N3 O2, overall=29.96, db=0.00, mfg=59.93 ]			C27 H54 Cl2 N3 O2	+	522.3553	1.408	29.96		(523.3626, 1422.72)(524.3649, 348.45)(525.3771, 961.81)	FindByMolecularFeature	C27 H54 Cl2 N3 O2	2
C27 H55 N10 O10	[ C27 H55 N10 O10, overall=36.36, db=0.00, mfg=72.71 ]			C27 H55 N10 O10	+	679.412	8.8085	36.36		(680.4186, 5065.35)(681.4212, 1350.06)	FindByMolecularFeature	C27 H55 N10 O10	2
C27 H55 N8 O3	[ C27 H55 N8 O3, overall=38.71, db=0.00, mfg=77.42 ]			C27 H55 N8 O3	+	539.4394	1.5109999	38.71		(540.4466, 3257.09)(541.4507, 1141.18)	FindByMolecularFeature	C27 H55 N8 O3	2
C28 H37 N3	[ C28 H37 N3, overall=39.02, db=0.00, mfg=78.04 ]			C28 H37 N3	+	415.2981	1.133	39.02		(416.3053, 2253.03)(417.3075, 620.28)(433.3347, 1050.77)	FindByMolecularFeature	C28 H37 N3	2
C28 H38 N4 O4	[ C28 H38 N4 O4, overall=36.02, db=0.00, mfg=72.05 ]			C28 H38 N4 O4	+	494.2883	5.664	36.02		(495.2956, 6913.63)(496.3001, 2656.16)	FindByMolecularFeature	C28 H38 N4 O4	2
C28 H46 O8	[ C28 H46 O8, overall=36.36, db=0.00, mfg=72.73 ]			C28 H46 O8	+	510.3191	1.7695	36.36		(533.3065, 925.2)(511.3266, 4450.86)(512.3315, 1030.75)	FindByMolecularFeature	C28 H46 O8	2
C28 H47 N6 O8	[ C28 H47 N6 O8, overall=41.91, db=0.00, mfg=83.82 ]			C28 H47 N6 O8	+	595.3444	1.461	41.91		(596.3517, 15024.09)(597.3575, 4692.68)(598.3653, 1538.65)	FindByMolecularFeature	C28 H47 N6 O8	2
C28 H57 N8 O3	[ C28 H57 N8 O3, overall=37.45, db=0.00, mfg=74.89 ]			C28 H57 N8 O3	+	553.4554	1.2495	37.45		(554.4621, 3163.07)(555.4652, 1225.36)	FindByMolecularFeature	C28 H57 N8 O3	2
C28 O28	[ C28 O28, overall=31.34, db=0.00, mfg=62.69 ]			C28 O28	+	783.8583	5.695	31.34		(784.866, 2612.84)(785.8649, 620.86)(1568.7161, 615.7)	FindByMolecularFeature	C28 O28	2
C29 H36 N28 O4	[ C29 H36 N28 O4, overall=36.41, db=0.00, mfg=72.81 ]			C29 H36 N28 O4	+	840.348	6.547	36.41		(863.3368, 2573.02)(864.338, 1076.67)(841.3535, 1075.2)(858.3819, 2176.29)(859.3846, 968.46)	FindByMolecularFeature	C29 H36 N28 O4	2
C29 H4 N2 O21	[ C29 H4 N2 O21, overall=31.25, db=0.00, mfg=62.50 ]			C29 H4 N2 O21	+	715.9297	7.651	31.25		(716.937, 5455.96)(717.9414, 991.45)	FindByMolecularFeature	C29 H4 N2 O21	2
C29 H48 N7 O18	[ C29 H48 N7 O18, overall=48.52, db=0.00, mfg=97.04 ]			C29 H48 N7 O18	+	782.3056	6.5555	48.52		(805.2948, 10906.34)(806.2979, 3945.07)(807.2994, 1400.58)(783.3124, 1926.2)(800.3398, 2450.66)(801.3416, 787.29)	FindByMolecularFeature	C29 H48 N7 O18	2
C29 H51 N8 O3	[ C29 H51 N8 O3, overall=38.99, db=0.00, mfg=77.98 ]			C29 H51 N8 O3	+	559.4084	1.163	38.99		(560.4157, 2646.39)(561.4193, 931.74)	FindByMolecularFeature	C29 H51 N8 O3	2
C29 H53 N11	[ C29 H53 N11, overall=37.77, db=0.00, mfg=75.55 ]			C29 H53 N11	+	555.4487	3.9169998	37.77		(556.457, 2966.67)(557.4582, 1119.95)	FindByMolecularFeature	C29 H53 N11	2
C29 H56 O8 S3	[ C29 H56 O8 S3, overall=39.57, db=0.00, mfg=79.15 ]			C29 H56 O8 S3	+	628.3112	2.9425	39.57		(651.3007, 1614.56)(652.3043, 856.28)(653.3076, 1296.01)(629.3182, 3460.83)(630.3214, 1309.37)(631.3297, 920.47)	FindByMolecularFeature	C29 H56 O8 S3	2
C29 H57 N4 O5	[ C29 H57 N4 O5, overall=36.22, db=0.00, mfg=72.45 ]			C29 H57 N4 O5	+	541.4332	4.0875	36.22		(542.4405, 2943.0)(543.4459, 805.93)	FindByMolecularFeature	C29 H57 N4 O5	2
C29 H6 N5 O21 +7.5264997	[ C29 H6 N5 O21, overall=35.42, db=0.00, mfg=70.84 ]			C29 H6 N5 O21 +7.5264997	+	759.9568	7.5264997	35.42		(760.9625, 4367.49)(761.9658, 1210.09)	FindByMolecularFeature	C29 H6 N5 O21	2
C29 H7 N5 O16	[ C29 H7 N5 O16, overall=36.92, db=0.00, mfg=73.83 ]			C29 H7 N5 O16	+	680.9886	4.928	36.92		(681.9962, 2737.11)(682.9994, 870.7)	FindByMolecularFeature	C29 H7 N5 O16	2
C29 H8 N6 O10 +8.424	[ C29 H8 N6 O10, overall=37.66, db=0.00, mfg=75.32 ]			C29 H8 N6 O10 +8.424	+	600.0301	8.424	37.66		(601.0379, 3383.07)(602.0413, 1151.09)	FindByMolecularFeature	C29 H8 N6 O10	2
C3 Cl N O3 S3 +2.119	[ C3 Cl N O3 S3, overall=22.83, db=0.00, mfg=45.67 ]			C3 Cl N O3 S3 +2.119	+	228.8736	2.119	22.83		(229.8813, 983.76)(246.9074, 2717.59)	FindByMolecularFeature	C3 Cl N O3 S3	2
C3 H5 N +1.858	[ C3 H5 N, overall=43.87, db=0.00, mfg=87.74 ]			C3 H5 N +1.858	+	55.0422	1.858	43.87		(56.0494, 27934.05)(57.0527, 1193.14)	FindByMolecularFeature	C3 H5 N	2
C30 H51 N O12	[ C30 H51 N O12, overall=49.83, db=0.00, mfg=99.66 ]			C30 H51 N O12	+	617.341	1.0975001	49.83		(618.3483, 51010.07)(619.3518, 17639.05)(620.3552, 3872.16)(621.3609, 878.43)	FindByMolecularFeature	C30 H51 N O12	2
C30 H53 N15 O7	[ C30 H53 N15 O7, overall=49.87, db=0.00, mfg=99.75 ]			C30 H53 N15 O7	+	735.425	5.2605	49.87		(736.4323, 31568.69)(737.435, 12116.78)(738.4382, 2815.79)(739.4415, 412.29)	FindByMolecularFeature	C30 H53 N15 O7	2
C30 H58 Cl O15 S4	[ C30 H58 Cl O15 S4, overall=38.78, db=0.00, mfg=77.57 ]			C30 H58 Cl O15 S4	+	821.2354	1.0320001	38.78		(822.2427, 1544.29)(823.247, 817.84)(824.2399, 1264.42)(825.2376, 358.62)	FindByMolecularFeature	C30 H58 Cl O15 S4	2
C30 H67 N20 O16	[ C30 H67 N20 O16, overall=33.15, db=0.00, mfg=66.29 ]			C30 H67 N20 O16	+	963.5041	1.1665001	33.15		(964.5114, 3369.74)(965.5141, 1567.4)	FindByMolecularFeature	C30 H67 N20 O16	2
C31 H36 N13 O3	[ C31 H36 N13 O3, overall=36.66, db=0.00, mfg=73.32 ]			C31 H36 N13 O3	+	638.3067	5.9505	36.66		(661.295, 1645.21)(662.2992, 668.42)(639.3147, 3744.59)(640.3185, 1718.5)	FindByMolecularFeature	C31 H36 N13 O3	2
C32 H44 N8 O4	[ C32 H44 N8 O4, overall=29.55, db=0.00, mfg=59.11 ]			C32 H44 N8 O4	+	604.3471	1.3225	29.55		(605.356, 2427.16)(606.3566, 1351.24)	FindByMolecularFeature	C32 H44 N8 O4	2
C32 H59 N12	[ C32 H59 N12, overall=37.07, db=0.00, mfg=74.14 ]			C32 H59 N12	+	611.4979	1.2485	37.07		(612.5052, 2376.45)(613.5083, 1010.97)	FindByMolecularFeature	C32 H59 N12	2
C33 H11 N6 O25	[ C33 H11 N6 O25, overall=33.36, db=0.00, mfg=66.71 ]			C33 H11 N6 O25	+	890.9769	1.1145	33.36		(891.9842, 3440.72)(892.9881, 1357.27)	FindByMolecularFeature	C33 H11 N6 O25	2
C33 H27 N17 O11	[ C33 H27 N17 O11, overall=22.88, db=0.00, mfg=45.76 ]			C33 H27 N17 O11	+	837.2084	1.017	22.88		(838.2157, 2207.21)(839.2085, 1272.36)	FindByMolecularFeature	C33 H27 N17 O11	2
C33 H31 N13 O	[ C33 H31 N13 O, overall=33.05, db=0.00, mfg=66.09 ]			C33 H31 N13 O	+	625.277	1.8385	33.05		(626.2838, 2318.4)(627.29, 1067.04)	FindByMolecularFeature	C33 H31 N13 O	2
C33 H40 N11 O2	[ C33 H40 N11 O2, overall=36.44, db=0.00, mfg=72.87 ]			C33 H40 N11 O2	+	622.3372	1.4844999	36.44		(623.3441, 5788.54)(624.3488, 2077.68)	FindByMolecularFeature	C33 H40 N11 O2	2
C33 H43 Cl N6 O3	[ C33 H43 Cl N6 O3, overall=35.61, db=0.00, mfg=71.23 ]			C33 H43 Cl N6 O3	+	606.305	3.466	35.61		(629.2949, 1243.03)(607.3122, 3423.54)(608.3167, 1332.94)(609.3271, 1374.92)	FindByMolecularFeature	C33 H43 Cl N6 O3	2
C33 H52 N7 S2	[ C33 H52 N7 S2, overall=23.80, db=0.00, mfg=47.61 ]			C33 H52 N7 S2	+	610.3727	1.4324999	23.8		(633.3617, 1173.34)(611.38, 3115.17)(612.3858, 1993.47)	FindByMolecularFeature	C33 H52 N7 S2	2
C33 H55 N O S	[ C33 H55 N O S, overall=30.72, db=0.00, mfg=61.44 ]			C33 H55 N O S	+	513.3978	1.082	30.72		(514.408, 2215.22)(515.4105, 1147.77)	FindByMolecularFeature	C33 H55 N O S	2
C34 H42 N2 O3	[ C34 H42 N2 O3, overall=26.32, db=0.00, mfg=52.63 ]			C34 H42 N2 O3	+	526.3161	1.4815	26.32		(527.3234, 4020.7)(528.3403, 2088.68)	FindByMolecularFeature	C34 H42 N2 O3	2
C34 H50 O S	[ C34 H50 O S, overall=28.50, db=0.00, mfg=56.99 ]			C34 H50 O S	+	506.3596	1.2475	28.5		(529.3502, 938.43)(507.3671, 2123.19)(508.3682, 1126.29)	FindByMolecularFeature	C34 H50 O S	2
C35 H45 N2 O2	[ C35 H45 N2 O2, overall=37.07, db=0.00, mfg=74.15 ]			C35 H45 N2 O2	+	525.3479	1.693	37.07		(526.3552, 3163.2)(527.359, 1323.38)	FindByMolecularFeature	C35 H45 N2 O2	2
C35 H68 N11 O2	[ C35 H68 N11 O2, overall=31.11, db=0.00, mfg=62.22 ]			C35 H68 N11 O2	+	674.5575	1.0975	31.11		(675.5648, 2557.95)(676.561, 1184.38)	FindByMolecularFeature	C35 H68 N11 O2	2
C36 H35 O S4	[ C36 H35 O S4, overall=35.62, db=0.00, mfg=71.24 ]			C36 H35 O S4	+	611.1585	1.027	35.62		(612.1658, 51544.37)(613.1656, 29228.23)(614.163, 22417.8)	FindByMolecularFeature	C36 H35 O S4	2
C36 H39 O2	[ C36 H39 O2, overall=34.12, db=0.00, mfg=68.23 ]			C36 H39 O2	+	503.2957	1.8395	34.12		(504.301, 2495.41)(505.3067, 1103.79)	FindByMolecularFeature	C36 H39 O2	2
C36 H4 N O18	[ C36 H4 N O18, overall=31.73, db=0.00, mfg=63.46 ]			C36 H4 N O18	+	737.9421	7.7345	31.73		(738.9494, 3984.25)(739.9553, 1101.69)	FindByMolecularFeature	C36 H4 N O18	2
C37 H30 Cl N5 O	[ C37 H30 Cl N5 O, overall=35.35, db=0.00, mfg=70.69 ]			C37 H30 Cl N5 O	+	595.2147	1.027	35.35		(596.222, 3680.41)(597.2226, 2102.9)(598.2189, 1867.8)	FindByMolecularFeature	C37 H30 Cl N5 O	2
C37 H34 N O	[ C37 H34 N O, overall=37.72, db=0.00, mfg=75.45 ]			C37 H34 N O	+	508.2645	3.0405002	37.72		(509.2717, 4751.28)(510.2753, 1813.64)	FindByMolecularFeature	C37 H34 N O	2
C37 H45 N3 O	[ C37 H45 N3 O, overall=36.26, db=0.00, mfg=72.52 ]			C37 H45 N3 O	+	547.3568	3.4595	36.26		(548.3644, 2724.92)(549.3656, 1054.38)	FindByMolecularFeature	C37 H45 N3 O	2
C37 H51 N22 O2	[ C37 H51 N22 O2, overall=49.17, db=0.00, mfg=98.34 ]			C37 H51 N22 O2	+	835.4565	1.183	49.17		(836.4638, 6242.63)(837.4668, 3128.08)(838.4688, 851.72)	FindByMolecularFeature	C37 H51 N22 O2	2
C37 H54 N14	[ C37 H54 N14, overall=35.74, db=0.00, mfg=71.47 ]			C37 H54 N14	+	694.4658	1.679	35.74		(695.4731, 5950.79)(696.4762, 2734.34)	FindByMolecularFeature	C37 H54 N14	2
C38 H19 N6 O27	[ C38 H19 N6 O27, overall=30.77, db=0.00, mfg=61.54 ]			C38 H19 N6 O27	+	991.029	1.097	30.77		(992.0363, 3239.23)(993.0428, 1131.61)	FindByMolecularFeature	C38 H19 N6 O27	2
C38 H28 N13 O2 S2	[ C38 H28 N13 O2 S2, overall=41.89, db=0.00, mfg=83.77 ]			C38 H28 N13 O2 S2	+	762.1935	1.018	41.89		(763.2007, 28680.99)(764.1985, 13738.96)(765.1964, 5648.56)(766.1919, 1955.0)	FindByMolecularFeature	C38 H28 N13 O2 S2	2
C38 H64 N20 O4	[ C38 H64 N20 O4, overall=33.92, db=0.00, mfg=67.84 ]			C38 H64 N20 O4	+	864.5423	1.083	33.92		(865.5494, 3369.35)(866.5532, 1535.23)(882.576, 2256.95)(883.5798, 1237.22)	FindByMolecularFeature	C38 H64 N20 O4	2
C39 H47 N8 O3	[ C39 H47 N8 O3, overall=31.43, db=0.00, mfg=62.85 ]			C39 H47 N8 O3	+	675.3777	1.0964999	31.43		(676.385, 2938.21)(677.3868, 1725.0)	FindByMolecularFeature	C39 H47 N8 O3	2
C39 H48 N25 O4	[ C39 H48 N25 O4, overall=29.60, db=0.00, mfg=59.21 ]			C39 H48 N25 O4	+	930.432	1.039	29.6		(931.4386, 2216.83)(932.4445, 1343.18)	FindByMolecularFeature	C39 H48 N25 O4	2
C39 H57 N3 O2	[ C39 H57 N3 O2, overall=29.77, db=0.00, mfg=59.53 ]			C39 H57 N3 O2	+	599.4415	1.1345	29.77		(600.4488, 1746.15)(601.4539, 1084.52)(602.4563, 647.26)	FindByMolecularFeature	C39 H57 N3 O2	2
C39 H82 N6 O11 S	[ C39 H82 N6 O11 S, overall=45.96, db=0.00, mfg=91.91 ]			C39 H82 N6 O11 S	+	842.5747	1.838	45.96		(843.5835, 3377.29)(844.5862, 1646.29)(845.5869, 783.51)(860.6069, 1481.14)(861.6082, 738.37)	FindByMolecularFeature	C39 H82 N6 O11 S	2
C4 H9 Cl O3 S3	[ C4 H9 Cl O3 S3, overall=23.81, db=0.00, mfg=47.62 ]			C4 H9 Cl O3 S3	+	235.9403	7.6245	23.81		(258.9296, 1255.61)(236.9475, 2701.03)	FindByMolecularFeature	C4 H9 Cl O3 S3	2
C40 H Cl N4 O	[ C40 H Cl N4 O, overall=23.81, db=0.00, mfg=47.62 ]			C40 H Cl N4 O	+	587.9852	5.413	23.81		(610.9731, 1858.02)(588.9926, 1682.89)	FindByMolecularFeature	C40 H Cl N4 O	2
C40 H44 Cl N S3	[ C40 H44 Cl N S3, overall=34.20, db=0.00, mfg=68.40 ]			C40 H44 Cl N S3	+	669.2336	1.021	34.2		(670.2409, 3359.61)(671.2408, 2076.8)(672.2389, 2287.86)	FindByMolecularFeature	C40 H44 Cl N S3	2
C40 H46 N O4 S	[ C40 H46 N O4 S, overall=47.56, db=0.00, mfg=95.12 ]			C40 H46 N O4 S	+	636.3159	2.087	47.56		(659.305, 7756.88)(660.3085, 2691.44)(637.3232, 21993.65)(638.3265, 9981.0)(639.322, 3107.65)(640.3128, 847.31)	FindByMolecularFeature	C40 H46 N O4 S	2
C40 H49 N20 O	[ C40 H49 N20 O, overall=32.08, db=0.00, mfg=64.16 ]			C40 H49 N20 O	+	825.4393	1.181	32.08		(826.4465, 4163.69)(827.4501, 2432.11)	FindByMolecularFeature	C40 H49 N20 O	2
C40 H78 N2 O2	[ C40 H78 N2 O2, overall=31.88, db=0.00, mfg=63.75 ]			C40 H78 N2 O2	+	618.6063	1.151	31.88		(619.6136, 3200.49)(620.6169, 1874.7)	FindByMolecularFeature	C40 H78 N2 O2	2
C40 H80 Cl N6 O2	[ C40 H80 Cl N6 O2, overall=28.81, db=0.00, mfg=57.62 ]			C40 H80 Cl N6 O2	+	711.607	1.02	28.81		(712.6143, 2799.48)(713.6122, 1406.18)(714.596, 799.77)	FindByMolecularFeature	C40 H80 Cl N6 O2	2
C40 H81 N4 O S2	[ C40 H81 N4 O S2, overall=36.44, db=0.00, mfg=72.88 ]			C40 H81 N4 O S2	+	697.5859	1.021	36.44		(698.5932, 2954.29)(699.599, 917.57)(700.5915, 671.77)	FindByMolecularFeature	C40 H81 N4 O S2	2
C41 H26 N3 O3	[ C41 H26 N3 O3, overall=30.80, db=0.00, mfg=61.59 ]			C41 H26 N3 O3	+	608.1981	1.1045	30.8		(609.2061, 1823.41)(610.2051, 916.87)	FindByMolecularFeature	C41 H26 N3 O3	2
C41 H78 N6 O7 S	[ C41 H78 N6 O7 S, overall=47.18, db=0.00, mfg=94.36 ]			C41 H78 N6 O7 S	+	798.5644	1.8375	47.18		(799.5717, 6872.65)(800.5754, 3266.94)(801.5765, 1371.81)	FindByMolecularFeature	C41 H78 N6 O7 S	2
C42 H28 N18 O6 S	[ C42 H28 N18 O6 S, overall=30.76, db=0.00, mfg=61.52 ]			C42 H28 N18 O6 S	+	912.2223	1.0165	30.76		(913.2237, 2081.34)(914.2169, 1152.76)(915.2145, 503.16)(930.2579, 1983.67)(931.2515, 1074.02)	FindByMolecularFeature	C42 H28 N18 O6 S	2
C42 H32 N9 O	[ C42 H32 N9 O, overall=31.40, db=0.00, mfg=62.79 ]			C42 H32 N9 O	+	678.2726	1.5155001	31.4		(679.2798, 1987.13)(680.2824, 1220.78)	FindByMolecularFeature	C42 H32 N9 O	2
C42 H82 N2 O2	[ C42 H82 N2 O2, overall=35.14, db=0.00, mfg=70.27 ]			C42 H82 N2 O2	+	646.6376	1.1455	35.14		(647.6446, 4405.16)(648.6479, 2165.1)(649.6568, 1308.21)	FindByMolecularFeature	C42 H82 N2 O2	2
C42 H83 N O4	[ C42 H83 N O4, overall=33.03, db=0.00, mfg=66.06 ]			C42 H83 N O4	+	665.6318	3.6915002	33.03		(666.6391, 5136.77)(667.6421, 2726.11)	FindByMolecularFeature	C42 H83 N O4	2
C43 H56 N3	[ C43 H56 N3, overall=34.72, db=0.00, mfg=69.43 ]			C43 H56 N3	+	614.448	4.619	34.72		(615.4552, 2699.82)(616.4589, 1288.6)	FindByMolecularFeature	C43 H56 N3	2
C45 H98 N21 O3	[ C45 H98 N21 O3, overall=27.94, db=0.00, mfg=55.87 ]			C45 H98 N21 O3	+	980.8147	5.6825	27.94		(981.8209, 2332.49)(982.8229, 812.52)	FindByMolecularFeature	C45 H98 N21 O3	2
C46 H38 N2 O	[ C46 H38 N2 O, overall=29.42, db=0.00, mfg=58.85 ]			C46 H38 N2 O	+	634.2984	1.9935	29.42		(635.3057, 2375.55)(636.3112, 1519.74)	FindByMolecularFeature	C46 H38 N2 O	2
C46 H67 N15 O S	[ C46 H67 N15 O S, overall=46.29, db=0.00, mfg=92.57 ]			C46 H67 N15 O S	+	877.5371	1.0044999	46.29		(878.5434, 6669.25)(879.5478, 3855.9)(880.5463, 1559.6)	FindByMolecularFeature	C46 H67 N15 O S	2
C47 H71 Cl O13	[ C47 H71 Cl O13, overall=32.00, db=0.00, mfg=64.01 ]			C47 H71 Cl O13	+	878.4577	6.0600004	32		(879.4639, 2016.25)(880.4663, 970.79)(881.4783, 1015.47)	FindByMolecularFeature	C47 H71 Cl O13	2
C48 H76 N10 O3	[ C48 H76 N10 O3, overall=30.54, db=0.00, mfg=61.08 ]			C48 H76 N10 O3	+	840.6105	1.33	30.54		(841.6169, 2733.74)(842.6203, 1889.22)(858.6423, 1014.83)	FindByMolecularFeature	C48 H76 N10 O3	2
C48 H83 N O14 S2	[ C48 H83 N O14 S2, overall=49.03, db=0.00, mfg=98.06 ]			C48 H83 N O14 S2	+	961.5247	1.049	49.03		(962.5319, 7538.44)(963.5349, 4029.8)(964.5358, 1892.55)(965.5384, 776.35)	FindByMolecularFeature	C48 H83 N O14 S2	2
C49 H95 N O2 S2	[ C49 H95 N O2 S2, overall=39.38, db=0.00, mfg=78.76 ]			C49 H95 N O2 S2	+	793.6777	1.0220001	39.38		(794.685, 4938.55)(795.6883, 2887.5)(796.7, 1522.59)	FindByMolecularFeature	C49 H95 N O2 S2	2
C5 H12 N2 O S	[ C5 H12 N2 O S, overall=47.47, db=0.00, mfg=94.94 ]			C5 H12 N2 O S	+	148.0671	1.8234999	47.47		(149.0745, 15264.26)(150.079, 1100.79)(151.0706, 741.9)	FindByMolecularFeature	C5 H12 N2 O S	2
C50 H52 N13 O2	[ C50 H52 N13 O2, overall=30.57, db=0.00, mfg=61.14 ]			C50 H52 N13 O2	+	866.4376	1.1035	30.57		(867.4449, 2837.93)(868.447, 1895.44)	FindByMolecularFeature	C50 H52 N13 O2	2
C50 H7 N8 O13	[ C50 H7 N8 O13, overall=31.02, db=0.00, mfg=62.03 ]			C50 H7 N8 O13	+	927.0137	1.0935	31.02		(928.0209, 2498.76)(929.0247, 1390.48)	FindByMolecularFeature	C50 H7 N8 O13	2
C51 H74 N2 O4 S4	[ C51 H74 N2 O4 S4, overall=34.25, db=0.00, mfg=68.50 ]			C51 H74 N2 O4 S4	+	906.4519	5.746	34.25		(907.4592, 2738.92)(908.4633, 1576.03)(909.4713, 1229.02)	FindByMolecularFeature	C51 H74 N2 O4 S4	2
C53 H68 N8 O3	[ C53 H68 N8 O3, overall=47.55, db=0.00, mfg=95.10 ]			C53 H68 N8 O3	+	864.542	1.0495	47.55		(865.5493, 5066.3)(866.5533, 2990.93)(867.5527, 1044.36)	FindByMolecularFeature	C53 H68 N8 O3	2
C55 H58 N10 O2	[ C55 H58 N10 O2, overall=29.73, db=0.00, mfg=59.47 ]			C55 H58 N10 O2	+	890.475	1.115	29.73		(891.4823, 4090.99)(892.4864, 2879.53)	FindByMolecularFeature	C55 H58 N10 O2	2
C6 H10 N6	[ C6 H10 N6, overall=23.18, db=0.00, mfg=46.35 ]			C6 H10 N6	+	166.095	1.1949999	23.18		(167.1022, 2854.18)(168.1112, 682.54)(169.0901, 884.86)(333.2013, 818.41)	FindByMolecularFeature	C6 H10 N6	2
C6 H13 N2 S	[ C6 H13 N2 S, overall=33.39, db=0.00, mfg=66.79 ]			C6 H13 N2 S	+	145.0809	6.2655	33.39		(168.0745, 1087.44)(146.0882, 6328.14)(147.0887, 763.93)	FindByMolecularFeature	C6 H13 N2 S	2
C6 H4 O S +8.0745	[ C6 H4 O S, overall=49.20, db=0.00, mfg=98.39 ]			C6 H4 O S +8.0745	+	123.9981	8.0745	49.2		(125.0053, 27303.91)(126.0078, 2178.35)(127.0017, 1045.21)	FindByMolecularFeature	C6 H4 O S	2
C6 H9 N S	[ C6 H9 N S, overall=43.12, db=0.00, mfg=86.24 ]			C6 H9 N S	+	127.0458	7.701	43.12		(128.0531, 23947.3)(129.053, 1329.71)(130.0577, 840.31)	FindByMolecularFeature	C6 H9 N S	2
C7 H12 N5	[ C7 H12 N5, overall=23.81, db=0.00, mfg=47.62 ]			C7 H12 N5	+	166.1087	6.0785	23.81		(167.1156, 5017.64)(168.1188, 1764.37)(184.1431, 2630.68)	FindByMolecularFeature	C7 H12 N5	2
C7 H13 O4 S	[ C7 H13 O4 S, overall=46.09, db=0.00, mfg=92.19 ]			C7 H13 O4 S	+	193.0539	7.525	46.09		(194.0618, 6505.66)(195.0639, 1225.28)(387.1148, 20717.66)(388.1181, 4465.46)(389.114, 2207.37)	FindByMolecularFeature	C7 H13 O4 S	2
C7 H16 N2 O3	[ C7 H16 N2 O3, overall=23.23, db=0.00, mfg=46.46 ]			C7 H16 N2 O3	+	176.118	5.9414997	23.23		(199.1065, 2649.59)(177.1229, 1124.33)	FindByMolecularFeature	C7 H16 N2 O3	2
C7 H17 Cl N O4	[ C7 H17 Cl N O4, overall=23.80, db=0.00, mfg=47.60 ]			C7 H17 Cl N O4	+	214.085	1.6315	23.8		(237.0739, 1061.47)(215.0925, 4357.83)	FindByMolecularFeature	C7 H17 Cl N O4	2
C7 H17 Cl N O4 +2.1104999	[ C7 H17 Cl N O4, overall=23.81, db=0.00, mfg=47.61 ]			C7 H17 Cl N O4 +2.1104999	+	214.0847	2.1104999	23.81		(215.092, 2124.4)(232.1184, 1615.76)	FindByMolecularFeature	C7 H17 Cl N O4	2
C7 H17 N4 O3 S	[ C7 H17 N4 O3 S, overall=23.76, db=0.00, mfg=47.51 ]			C7 H17 N4 O3 S	+	237.1026	6.932	23.76		(238.1113, 2326.27)(255.1358, 1669.0)	FindByMolecularFeature	C7 H17 N4 O3 S	2
C8 H14 S	[ C8 H14 S, overall=28.96, db=0.00, mfg=57.91 ]			C8 H14 S	+	142.0835	8.3810005	28.96		(143.0906, 5609.29)(285.1744, 24933.82)(286.1773, 3629.45)(287.1723, 1291.84)	FindByMolecularFeature	C8 H14 S	2
C8 H15 N2 O2	[ C8 H15 N2 O2, overall=37.21, db=0.00, mfg=74.42 ]			C8 H15 N2 O2	+	171.1133	4.1855	37.21		(172.1206, 7947.98)(173.1182, 956.11)	FindByMolecularFeature	C8 H15 N2 O2	2
C8 H17 Cl2 N4 O	[ C8 H17 Cl2 N4 O, overall=23.70, db=0.00, mfg=47.41 ]			C8 H17 Cl2 N4 O	+	255.0782	2.8235002	23.7		(278.0674, 885.85)(256.0851, 6976.74)(257.0909, 2422.29)	FindByMolecularFeature	C8 H17 Cl2 N4 O	2
C8 H18 N2 O2 +6.285	[ C8 H18 N2 O2, overall=38.70, db=0.00, mfg=77.39 ]			C8 H18 N2 O2 +6.285	+	174.1369	6.285	38.7		(197.1279, 1661.17)(175.144, 14430.73)(176.1449, 1901.61)	FindByMolecularFeature	C8 H18 N2 O2	2
C8 H2 Cl2 N S2 +2.204	[ C8 H2 Cl2 N S2, overall=23.80, db=0.00, mfg=47.61 ]			C8 H2 Cl2 N S2 +2.204	+	245.9004	2.204	23.8		(246.9079, 1416.4)(263.9339, 1592.39)	FindByMolecularFeature	C8 H2 Cl2 N S2	2
C8 H20 N9 O	[ C8 H20 N9 O, overall=23.58, db=0.00, mfg=47.15 ]			C8 H20 N9 O	+	258.1844	1.2985001	23.58		(539.3587, 1484.44)(259.1867, 1672.39)	FindByMolecularFeature	C8 H20 N9 O	2
C8 H22 Cl N6	[ C8 H22 Cl N6, overall=23.81, db=0.00, mfg=47.62 ]			C8 H22 Cl N6	+	237.1607	1.1805	23.81		(238.1667, 1679.85)(255.1945, 2381.26)	FindByMolecularFeature	C8 H22 Cl N6	2
C8 H9 N O5 S	[ C8 H9 N O5 S, overall=47.29, db=0.00, mfg=94.58 ]			C8 H9 N O5 S	+	231.0207	0.853	47.29		(254.0101, 2629.51)(232.0279, 14983.47)(233.0307, 1127.52)(234.0281, 978.9)(249.0545, 3133.23)	FindByMolecularFeature	C8 H9 N O5 S	2
C9 Cl3 N2 O6 S4	[ C9 Cl3 N2 O6 S4, overall=23.80, db=0.00, mfg=47.60 ]			C9 Cl3 N2 O6 S4	+	464.7701	6.099	23.8		(465.7787, 1828.4)(930.5481, 849.35)	FindByMolecularFeature	C9 Cl3 N2 O6 S4	2
C9 H10 Cl N	[ C9 H10 Cl N, overall=38.66, db=0.00, mfg=77.33 ]			C9 H10 Cl N	+	167.0511	4.1025	38.66		(168.0584, 8645.35)(169.0636, 1503.55)(170.0549, 3278.27)	FindByMolecularFeature	C9 H10 Cl N	2
C9 H11 N O2 S	[ C9 H11 N O2 S, overall=48.49, db=0.00, mfg=96.98 ]			C9 H11 N O2 S	+	197.051	1.208	48.49		(198.0583, 37642.25)(199.0622, 4600.18)(200.057, 1710.93)	FindByMolecularFeature	C9 H11 N O2 S	2
C9 H11 N O3 S	[ C9 H11 N O3 S, overall=48.76, db=0.00, mfg=97.53 ]			C9 H11 N O3 S	+	213.0466	1.619	48.76		(214.0539, 99227.51)(215.0568, 10657.55)(216.0514, 4476.91)(231.0808, 7581.6)(232.0837, 1578.3)	FindByMolecularFeature	C9 H11 N O3 S	2
C9 H15 N2	[ C9 H15 N2, overall=21.97, db=0.00, mfg=43.93 ]			C9 H15 N2	+	151.1205	1.4059999	21.97		(174.1119, 847.59)(152.1278, 2171.25)(153.1298, 601.37)	FindByMolecularFeature	C9 H15 N2	2
C9 H20 O6	[ C9 H20 O6, overall=43.12, db=0.00, mfg=86.24 ]			C9 H20 O6	+	224.1263	2.3425	43.12		(225.1336, 10928.74)(226.1373, 1069.28)(242.1608, 1303.57)	FindByMolecularFeature	C9 H20 O6	2
C9 H26 N10 O	[ C9 H26 N10 O, overall=40.23, db=0.00, mfg=80.46 ]			C9 H26 N10 O	+	290.2284	9.1105	40.23		(291.2357, 6107.77)(292.2388, 1069.2)	FindByMolecularFeature	C9 H26 N10 O	2
C9 H27 N10	[ C9 H27 N10, overall=40.68, db=0.00, mfg=81.36 ]			C9 H27 N10	+	275.2416	8.9	40.68		(276.2489, 18594.68)(277.2506, 1695.14)	FindByMolecularFeature	C9 H27 N10	2
C9 H3	[ C9 H3, overall=23.80, db=0.00, mfg=47.60 ]			C9 H3	+	111.0236	7.7035	23.8		(112.0308, 3902.55)(223.0544, 916.58)	FindByMolecularFeature	C9 H3	2
Callytriol C	Callytriol C [ C23 H24 O3, overall=61.45, db=61.45, CAS ID=185548-40-7, KEGG ID=C17005, METLIN ID=71496 ]	185548-40-7		Callytriol C	+	348.1724	1.605	61.45	C17005	(349.1797, 3764.26)(350.1834, 842.28)(351.1781, 707.92)	FindByMolecularFeature	C23 H24 O3	2
Calomelanol G	Calomelanol G [ C25 H20 O7, overall=98.00, db=98.00, Lipid ID=LMPK12140353, METLIN ID=52837 ]			Calomelanol G	+	449.1478	1.498	98		(450.1551, 9680.33)(451.1584, 2880.28)(452.1599, 700.08)	FindByMolecularFeature	C25 H20 O7	2		LMPK12140353
Calycanthidine	Calycanthidine [ C23 H28 N4, overall=42.70, db=42.70, CAS ID=5516-85-8, KEGG ID=C09097, METLIN ID=67425 ]	5516-85-8		Calycanthidine	+	180.116	1.2135	42.7	C09097	(181.1221, 1187.18)(361.24, 1691.65)	FindByMolecularFeature	C23 H28 N4	2
Candimine	Candimine [ C18 H19 N O6, overall=64.85, db=64.85, CAS ID=24585-19-1, KEGG ID=C08520, METLIN ID=67040 ]	24585-19-1		Candimine	+	345.1222	2.392	64.85	C08520	(346.1295, 2105.18)(347.1326, 680.49)	FindByMolecularFeature	C18 H19 N O6	2
Capillartemisin B	Capillartemisin B [ C19 H24 O4, overall=69.60, db=69.60, CAS ID=85819-51-8, KEGG ID=C17795, METLIN ID=71906 ]	85819-51-8		Capillartemisin B	+	316.1661	1.8085	69.6	C17795	(339.1553, 2630.55)(340.1608, 729.62)(317.1734, 1401.17)	FindByMolecularFeature	C19 H24 O4	2
Capryloylglycine +7.483	Capryloylglycine [ C10 H19 N O3, overall=85.61, db=85.61, CAS ID=14246-53-8, METLIN ID=5795, HMP ID=HMDB00832 ]	14246-53-8		Capryloylglycine +7.483	+	201.1366	7.483	85.61		(202.1437, 15117.48)(203.1472, 2083.67)	FindByMolecularFeature	C10 H19 N O3	2	HMDB00832
Cardiogenol C	Cardiogenol C [ C13 H16 N4 O2, overall=54.67, db=54.67, CAS ID=671225-39-1, METLIN ID=64802 ]	671225-39-1		Cardiogenol C	+	277.1532	2.808	54.67		(278.1605, 2532.03)(279.1621, 1043.43)	FindByMolecularFeature	C13 H16 N4 O2	2
Carolinianine +4.4344997	Carolinianine [ C16 H24 N2 O2, overall=78.44, db=78.44, CAS ID=36101-39-0, KEGG ID=C09856, METLIN ID=67969 ]	36101-39-0		Carolinianine +4.4344997	+	276.1843	4.4344997	78.44	C09856	(277.1917, 13154.96)(278.1955, 3048.7)	FindByMolecularFeature	C16 H24 N2 O2	2
Carpipramine	Carpipramine [ C28 H38 N4 O, overall=59.77, db=59.77, CAS ID=100482-23-3, KEGG ID=C12896, METLIN ID=69506 ]	100482-23-3		Carpipramine	+	463.3307	1.243	59.77	C12896	(464.338, 3452.87)(465.3364, 903.3)(466.3468, 1220.52)	FindByMolecularFeature	C28 H38 N4 O	2
Carteolol	Carteolol [ C16 H24 N2 O3, overall=80.08, db=80.08, CAS ID=51781-06-7, KEGG ID=C06874, METLIN ID=1546 ]	51781-06-7		Carteolol	+	292.1789	1.44	80.08	C06874	(293.1866, 8614.06)(294.1873, 1169.26)(295.1903, 618.59)	FindByMolecularFeature	C16 H24 N2 O3	2
Carteolol +7.7135	Carteolol [ C16 H24 N2 O3, overall=81.49, db=81.49, CAS ID=51781-06-7, KEGG ID=C06874, METLIN ID=1546 ]	51781-06-7		Carteolol +7.7135	+	292.1787	7.7135	81.49	C06874	(293.1859, 3564.96)(294.1904, 761.51)	FindByMolecularFeature	C16 H24 N2 O3	2
Castanospermine +2.093	Castanospermine [ C8 H15 N O4, overall=50.96, db=50.96, CAS ID=79831-76-8, KEGG ID=C02256, METLIN ID=65740 ]	79831-76-8		Castanospermine +2.093	+	189.1008	2.093	50.96	C02256	(190.1076, 3419.85)(191.114, 819.96)	FindByMolecularFeature	C8 H15 N O4	2
Cavinine +2.0180001	Cavinine [ C18 H21 N O6, overall=80.47, db=80.47, CAS ID=58189-38-1, KEGG ID=C08524, METLIN ID=67044 ]	58189-38-1		Cavinine +2.0180001	+	347.1373	2.0180001	80.47	C08524	(348.1446, 5211.2)(349.1466, 1204.94)	FindByMolecularFeature	C18 H21 N O6	2
CAY10449	CAY10449 [ C19 H21 N3 O2, overall=81.48, db=81.48, METLIN ID=44915 ]			CAY10449	+	323.1634	4.3234997	81.48		(324.1707, 16280.0)(325.1736, 4260.65)	FindByMolecularFeature	C19 H21 N3 O2	2
CAY10492 +2.2529998	CAY10492 [ C17 H22 N3 O2, overall=76.25, db=76.25, CAS ID=252978-89-5, METLIN ID=44967 ]	252978-89-5		CAY10492 +2.2529998	+	322.1531	2.2529998	76.25		(323.1604, 4112.79)(324.1618, 1041.74)	FindByMolecularFeature	C17 H22 N3 O2	2
CAY10506	CAY10506 [ C20 H26 N2 O4 S3, overall=52.81, db=52.81, CAS ID=292615-75-9, METLIN ID=45162 ]	292615-75-9		CAY10506	+	454.1073	2.0015001	52.81		(455.1147, 5067.68)(456.1161, 1891.14)	FindByMolecularFeature	C20 H26 N2 O4 S3	2
CAY10506 +2.0825	CAY10506 [ C20 H26 N2 O4 S3, overall=55.82, db=55.82, CAS ID=292615-75-9, METLIN ID=45162 ]	292615-75-9		CAY10506 +2.0825	+	454.107	2.0825	55.82		(455.1139, 3234.75)(456.1171, 1622.98)	FindByMolecularFeature	C20 H26 N2 O4 S3	2
Cefoxitin	Cefoxitin [ C16 H17 N3 O7 S2, overall=57.15, db=57.15, CAS ID=35607-66-0, KEGG ID=C06887, METLIN ID=1591 ]	35607-66-0		Cefoxitin	+	444.0762	7.7005	57.15	C06887	(445.083, 3866.03)(446.0861, 1050.29)	FindByMolecularFeature	C16 H17 N3 O7 S2	2
Cer(d18:1/18:1(11Z))	Cer(d18:1/18:1(11Z)) [ C36 H69 N O3, overall=72.61, db=72.61, METLIN ID=62477, HMP ID=HMDB11774 ]			Cer(d18:1/18:1(11Z))	+	580.5541	1.2114999	72.61		(581.5609, 2680.04)(582.5634, 903.9)	FindByMolecularFeature	C36 H69 N O3	2	HMDB11774
Cer(d18:2/20:0)	Cer(d18:2/20:0) [ C38 H73 N O3, overall=60.87, db=60.87, Lipid ID=LMSP02010026, METLIN ID=83725 ]			Cer(d18:2/20:0)	+	608.5845	1.208	60.87		(609.5926, 2264.9)(610.5943, 1281.11)	FindByMolecularFeature	C38 H73 N O3	2		LMSP02010026
CGH 2466	CGH 2466 [ C14 H9 Cl2 N3 S, overall=43.87, db=43.87, CAS ID=252198-68-8, KEGG ID=C14128, METLIN ID=69820 ]	252198-68-8		CGH 2466	+	320.9919	2.916	43.87	C14128	(321.9992, 2259.46)(323.0006, 673.54)	FindByMolecularFeature	C14 H9 Cl2 N3 S	2
Chamazulene	Chamazulene [ C14 H16, overall=57.79, db=57.79, KEGG ID=C09633, METLIN ID=41200 ]			Chamazulene	+	206.1058	1.2055	57.79	C09633	(207.1131, 3415.08)(208.1215, 938.19)	FindByMolecularFeature	C14 H16	2
Cholest-5-ene	Cholest-5-ene [ C27 H46, overall=76.02, db=76.02, Lipid ID=LMST01010243, KEGG ID=C05416, METLIN ID=57681 ]			Cholest-5-ene	+	387.3863	3.8055	76.02	C05416	(388.3946, 2591.09)(389.3964, 896.54)	FindByMolecularFeature	C27 H46	2		LMST01010243
Cholic acid glucuronide	Cholic acid glucuronide [ C30 H48 O11, overall=50.71, db=50.71, Lipid ID=LMST05010044, METLIN ID=57962 ]			Cholic acid glucuronide	+	606.3053	3.236	50.71		(607.3123, 4835.91)(608.316, 2050.54)	FindByMolecularFeature	C30 H48 O11	2		LMST05010044
Cholic acid glucuronide +3.6834998	Cholic acid glucuronide [ C30 H48 O11, overall=40.06, db=40.06, Lipid ID=LMST05010044, METLIN ID=57962 ]			Cholic acid glucuronide +3.6834998	+	606.3051	3.6834998	40.06		(607.3127, 2250.8)(608.3161, 913.84)(609.3243, 706.7)	FindByMolecularFeature	C30 H48 O11	2		LMST05010044
ciclopirox	ciclopirox [ C12 H17 N O2, overall=72.42, db=72.42, CAS ID=29342-05-0, METLIN ID=3961 ]	29342-05-0		ciclopirox	+	229.107	6.1285	72.42		(230.1143, 4966.04)(231.1261, 878.65)	FindByMolecularFeature	C12 H17 N O2	2
cimicifoetiside B	cimicifoetiside B [ C39 H60 O11, overall=57.31, db=57.31, Lipid ID=LMST01100007, METLIN ID=57767 ]			cimicifoetiside B	+	726.3987	1.118	57.31		(727.4059, 7240.26)(728.41, 2843.43)	FindByMolecularFeature	C39 H60 O11	2		LMST01100007
cis-Caryophyllene +1.087	cis-Caryophyllene [ C14 H22, overall=85.98, db=85.98, CAS ID=13877-93-5, METLIN ID=44280 ]	13877-93-5		cis-Caryophyllene +1.087	+	190.1721	1.087	85.98		(191.1794, 23253.94)(192.1829, 4122.84)	FindByMolecularFeature	C14 H22	2
cis-Chlorobenzene dihydrodiol	cis-Chlorobenzene dihydrodiol [ C6 H4 Cl4 O2, overall=41.70, db=41.70, KEGG ID=C18238, METLIN ID=72084 ]			cis-Chlorobenzene dihydrodiol	+	247.898	2.1275	41.7	C18238	(248.9055, 1046.08)(265.9316, 1170.95)	FindByMolecularFeature	C6 H4 Cl4 O2	2
Convolamine	Convolamine [ C17 H23 N O4, overall=53.31, db=53.31, CAS ID=500-56-1, KEGG ID=C10854, METLIN ID=68632 ]	500-56-1		Convolamine	+	305.1626	1.273	53.31	C10854	(306.1702, 2391.22)(307.1845, 625.27)(308.1579, 513.82)(323.1931, 697.11)	FindByMolecularFeature	C17 H23 N O4	2
Convoline	Convoline [ C16 H21 N O5, overall=63.76, db=63.76, CAS ID=89783-61-9, KEGG ID=C10855, METLIN ID=68633 ]	89783-61-9		Convoline	+	307.1444	8.218	63.76	C10855	(308.1517, 15025.75)(309.1528, 2082.69)(615.2948, 4420.65)(616.2995, 1611.83)	FindByMolecularFeature	C16 H21 N O5	2
coumarin-SAHA	coumarin-SAHA [ C18 H22 N2 O5, overall=82.08, db=82.08, METLIN ID=64949 ]			coumarin-SAHA	+	346.153	1.3295	82.08		(369.1427, 1218.93)(347.1602, 13425.44)(348.163, 3198.73)	FindByMolecularFeature	C18 H22 N2 O5	2
CPA(18:0)	CPA(18:0) [ C21 H41 O6 P, overall=67.77, db=67.77, Lipid ID=LMGP00000055, METLIN ID=75588 ]			CPA(18:0)	+	442.247	4.26	67.77		(443.2527, 2638.03)(444.2554, 892.84)	FindByMolecularFeature	C21 H41 O6 P	2		LMGP00000055
Cryptophycin 1	Cryptophycin 1 [ C35 H43 Cl N2 O8, overall=38.23, db=38.23, CAS ID=124689-65-2, KEGG ID=C16877, METLIN ID=71402 ]	124689-65-2		Cryptophycin 1	+	676.2574	1.4755	38.23	C16877	(677.264, 2454.24)(678.2682, 1242.07)	FindByMolecularFeature	C35 H43 Cl N2 O8	2
Cycleanine +1.8385	Cycleanine [ C38 H42 N2 O6, overall=42.35, db=42.35, CAS ID=518-94-5, KEGG ID=C17387, METLIN ID=71656 ]	518-94-5		Cycleanine +1.8385	+	622.2995	1.8385	42.35	C17387	(623.3067, 2392.01)(624.3116, 1228.29)	FindByMolecularFeature	C38 H42 N2 O6	2
Cyclopentanone	Cyclopentanone [ C5 H8 O, overall=44.95, db=44.95, CAS ID=120-92-3, KEGG ID=C00557, METLIN ID=65520 ]	120-92-3		Cyclopentanone	+	84.0578	1.1035	44.95	C00557	(191.1064, 761.34)(85.0653, 862.53)(169.1229, 1788.03)	FindByMolecularFeature	C5 H8 O	2
d-Dethiobiotin	d-Dethiobiotin [ C10 H18 N2 O3, overall=55.12, db=55.12, CAS ID=533-48-2, KEGG ID=C01909, METLIN ID=3351, HMP ID=HMDB03581 ]	533-48-2		d-Dethiobiotin	+	214.1321	6.6879997	55.12	C01909	(215.1394, 3716.37)(216.1398, 1035.92)	FindByMolecularFeature	C10 H18 N2 O3	2	HMDB03581
Dehydroabietamide	Dehydroabietamide [ C20 H29 N O, overall=56.17, db=56.17, CAS ID=, METLIN ID=44500 ]			Dehydroabietamide	+	321.2049	7.6605	56.17		(322.2122, 3851.06)(323.2143, 1228.94)	FindByMolecularFeature	C20 H29 N O	2
Dehydroandrosterone +1.1034999	Dehydroandrosterone [ C19 H28 O2, overall=60.39, db=60.39, Lipid ID=LMST02020103, METLIN ID=57833 ]			Dehydroandrosterone +1.1034999	+	288.2095	1.1034999	60.39		(289.2167, 7490.31)(290.2137, 2240.96)	FindByMolecularFeature	C19 H28 O2	2		LMST02020103
Dehydrofalcarinol	Dehydrofalcarinol [ C17 H22 O, overall=99.56, db=99.56, KEGG ID=C17716, METLIN ID=71874 ]			Dehydrofalcarinol	+	259.1938	4.4575	99.56	C17716	(260.201, 51481.55)(261.2041, 10310.52)(262.2054, 1187.33)	FindByMolecularFeature	C17 H22 O	2
Demissine	Demissine [ C50 H83 N O20, overall=91.31, db=91.31, CAS ID=6077-69-6, KEGG ID=C10803, METLIN ID=68591 ]	6077-69-6		Demissine	+	1017.5495	1.079	91.31	C10803	(1018.5567, 4524.34)(1019.5606, 2681.71)(1020.5626, 1099.25)	FindByMolecularFeature	C50 H83 N O20	2
Deoxymiroestrol +1.077	Deoxymiroestrol [ C20 H22 O5, overall=63.54, db=63.54, KEGG ID=C18164, METLIN ID=72068 ]			Deoxymiroestrol +1.077	+	359.1744	1.077	63.54	C18164	(360.1817, 1183.98)(361.1873, 869.13)(362.1854, 1989.02)	FindByMolecularFeature	C20 H22 O5	2
Depdecin	Depdecin [ C11 H16 O5, overall=77.10, db=77.10, Lipid ID=LMFA05000013, METLIN ID=36470 ]			Depdecin	+	228.0997	1.5365	77.1		(229.1069, 5108.34)(230.1106, 951.53)	FindByMolecularFeature	C11 H16 O5	2		LMFA05000013
Desacetylcolchicine	Desacetylcolchicine [ C20 H23 N O5, overall=72.73, db=72.73, CAS ID=3476-50-4, KEGG ID=C16712, METLIN ID=1913 ]	3476-50-4		Desacetylcolchicine	+	374.1843	1.428	72.73	C16712	(375.1916, 5959.07)(376.1994, 1330.84)	FindByMolecularFeature	C20 H23 N O5	2
Desethylchloroquine	Desethylchloroquine [ C16 H22 Cl N3, overall=74.38, db=74.38, CAS ID=1476-52-4, METLIN ID=1727 ]	1476-52-4		Desethylchloroquine	+	291.1477	1.6159999	74.38		(292.1552, 3766.43)(293.1585, 940.26)(294.158, 1201.77)	FindByMolecularFeature	C16 H22 Cl N3	2
Desmethyl rosuvastatin	Desmethyl rosuvastatin [ C21 H26 F N3 O6 S, overall=50.10, db=50.10, CAS ID=371775-74-5, METLIN ID=85034 ]	371775-74-5		Desmethyl rosuvastatin	+	489.1369	6.061	50.1		(490.1442, 2734.25)(491.1404, 1616.77)	FindByMolecularFeature	C21 H26 F N3 O6 S	2
Desmethyldescarbamoylnovobiocin	Desmethyldescarbamoylnovobiocin [ C29 H33 N O10, overall=46.25, db=46.25, CAS ID=, KEGG ID=C12475, METLIN ID=64594 ]			Desmethyldescarbamoylnovobiocin	+	572.2328	1.2475	46.25	C12475	(573.24, 2323.43)(574.2421, 1085.93)(575.247, 815.33)	FindByMolecularFeature	C29 H33 N O10	2
D-Fructofuranose 1,2':2,3'-dianhydride	D-Fructofuranose 1,2':2,3'-dianhydride [ C12 H20 O10, overall=84.95, db=84.95, KEGG ID=C04420, METLIN ID=66178 ]			D-Fructofuranose 1,2':2,3'-dianhydride	+	346.0876	2.612	84.95	C04420	(347.095, 13949.52)(348.0984, 1763.64)	FindByMolecularFeature	C12 H20 O10	2
DG(14:1(9Z)/20:3(8Z,11Z,14Z)/0:0)	DG(14:1(9Z)/20:3(8Z,11Z,14Z)/0:0) [ C37 H64 O5, overall=72.37, db=72.37, METLIN ID=58688, HMP ID=HMDB07053 ]			DG(14:1(9Z)/20:3(8Z,11Z,14Z)/0:0)	+	605.5006	1.067	72.37		(606.5092, 2462.43)(607.5139, 879.67)	FindByMolecularFeature	C37 H64 O5	2	HMDB07053
DG(18:0/22:1(13Z)/0:0)[iso2]	DG(18:0/22:1(13Z)/0:0)[iso2] [ C43 H82 O5, overall=66.85, db=66.85, Lipid ID=LMGL02010157, CAS ID=, METLIN ID=4499 ]			DG(18:0/22:1(13Z)/0:0)[iso2]	+	695.6418	3.7354999	66.85		(696.6491, 2903.75)(697.6528, 1407.03)	FindByMolecularFeature	C43 H82 O5	2		LMGL02010157
DG(18:1(11Z)/18:2(9Z,12Z)/0:0)	DG(18:1(11Z)/18:2(9Z,12Z)/0:0) [ C39 H70 O5, overall=59.92, db=59.92, METLIN ID=58772, HMP ID=HMDB07190 ]			DG(18:1(11Z)/18:2(9Z,12Z)/0:0)	+	640.5038	3.201	59.92		(641.5089, 1537.42)(642.5133, 740.62)	FindByMolecularFeature	C39 H70 O5	2	HMDB07190
DG(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]	DG(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] [ C46 H78 O5, overall=66.74, db=66.74, Lipid ID=LMGL02010290, CAS ID=, METLIN ID=4665 ]			DG(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]	+	727.6116	1.112	66.74		(728.6189, 2324.06)(729.623, 1105.32)	FindByMolecularFeature	C46 H78 O5	2		LMGL02010290
DG(O-16:0/18:1(9Z))	DG(O-16:0/18:1(9Z)) [ C37 H72 O4, overall=72.90, db=72.90, Lipid ID=LMGL02020001, CAS ID=, KEGG ID=C13862, METLIN ID=4696 ]			DG(O-16:0/18:1(9Z))	+	597.569	1.1110001	72.9	C13862	(598.5763, 2807.81)(599.5795, 1135.6)	FindByMolecularFeature	C37 H72 O4	2		LMGL02020001
D-Glucose oxime	D-Glucose oxime [ C6 H13 N O6, overall=50.47, db=50.47, KEGG ID=C02264, METLIN ID=65741 ]			D-Glucose oxime	+	195.0717	1.2465	50.47	C02264	(196.079, 5124.23)(197.0858, 670.09)	FindByMolecularFeature	C6 H13 N O6	2
D-Glutamine	D-Glutamine [ C5 H10 N2 O3, overall=77.38, db=77.38, CAS ID=5959-95-5, KEGG ID=C00819, METLIN ID=63630 ]	5959-95-5		D-Glutamine	+	146.0694	2.8895001	77.38	C00819	(169.0599, 2997.01)(147.0764, 14928.24)(148.0865, 853.28)	FindByMolecularFeature	C5 H10 N2 O3	2
Diethyl Oxalpropionate	Diethyl Oxalpropionate [ C9 H14 O5, overall=84.87, db=84.87, CAS ID=759-65-9, KEGG ID=C04067, METLIN ID=44744 ]	759-65-9		Diethyl Oxalpropionate	+	202.0846	2.2919998	84.87	C04067	(203.0917, 10490.39)(204.0953, 969.02)(205.088, 600.25)	FindByMolecularFeature	C9 H14 O5	2
Diethylcarbamazine	Diethylcarbamazine [ C10 H21 N3 O, overall=87.64, db=87.64, CAS ID=90-89-1, KEGG ID=C07968, METLIN ID=2004 ]	90-89-1		Diethylcarbamazine	+	199.1686	8.5875	87.64	C07968	(200.1759, 5838.62)(201.1788, 703.51)	FindByMolecularFeature	C10 H21 N3 O	2
Diethylcarbamazine +4.625	Diethylcarbamazine [ C10 H21 N3 O, overall=86.56, db=86.56, CAS ID=90-89-1, KEGG ID=C07968, METLIN ID=2004 ]	90-89-1		Diethylcarbamazine +4.625	+	199.1686	4.625	86.56	C07968	(200.1758, 9493.27)(201.1794, 1188.55)	FindByMolecularFeature	C10 H21 N3 O	2
Diethylene glycol +7.8655	Diethylene glycol [ C4 H10 O3, overall=85.02, db=85.02, CAS ID=111-46-6, KEGG ID=C14689, METLIN ID=70263 ]	111-46-6		Diethylene glycol +7.8655	+	128.0445	7.8655	85.02	C14689	(129.0518, 13103.48)(130.0564, 781.48)(257.0959, 3733.23)(258.0985, 804.73)	FindByMolecularFeature	C4 H10 O3	2
Dihomo-PGI2	Dihomo-PGI2 [ C22 H36 O5, overall=68.90, db=68.90, Lipid ID=LMFA03010195, METLIN ID=45950 ]			Dihomo-PGI2	+	380.2558	1.338	68.9		(381.2631, 1540.39)(382.2663, 674.6)(383.2678, 515.89)	FindByMolecularFeature	C22 H36 O5	2		LMFA03010195
Dihydrocelastryl Diacetate	Dihydrocelastryl Diacetate [ C33 H44 O6, overall=68.00, db=68.00, CAS ID=, METLIN ID=44211 ]			Dihydrocelastryl Diacetate	+	553.3418	1.2435	68		(554.3491, 4111.79)(555.3517, 1738.77)	FindByMolecularFeature	C33 H44 O6	2
Dihydromacarpine	Dihydromacarpine [ C22 H19 N O6, overall=78.55, db=78.55, CAS ID=77785-12-7, KEGG ID=C05316, METLIN ID=64389 ]	77785-12-7		Dihydromacarpine	+	410.1483	2.0085	78.55	C05316	(411.1556, 3180.28)(412.1579, 909.52)	FindByMolecularFeature	C22 H19 N O6	2
Dihydroxycarteolol M2 +1.9895	Dihydroxycarteolol M2 [ C16 H24 N2 O5, overall=79.39, db=79.39, CAS ID=, METLIN ID=1556 ]			Dihydroxycarteolol M2 +1.9895	+	324.1689	1.9895	79.39		(325.1761, 5382.38)(326.1777, 1192.22)	FindByMolecularFeature	C16 H24 N2 O5	2
Dihydroxymelphalan +7.2174997	Dihydroxymelphalan [ C13 H20 N2 O4, overall=70.49, db=70.49, CAS ID=72143-20-5, METLIN ID=1126 ]	72143-20-5		Dihydroxymelphalan +7.2174997	+	268.1426	7.2174997	70.49		(269.1499, 5146.77)(270.1528, 1284.96)	FindByMolecularFeature	C13 H20 N2 O4	2
Dinoflagellate luciferin +1.4595001	Dinoflagellate luciferin [ C33 H40 N4 O6, overall=59.02, db=59.02, KEGG ID=C19704, METLIN ID=73308 ]			Dinoflagellate luciferin +1.4595001	+	588.2945	1.4595001	59.02	C19704	(589.3017, 2693.67)(590.3061, 1756.96)	FindByMolecularFeature	C33 H40 N4 O6	2
Dinoflagellate luciferin +2.828	Dinoflagellate luciferin [ C33 H40 N4 O6, overall=36.00, db=36.00, KEGG ID=C19704, METLIN ID=73308 ]			Dinoflagellate luciferin +2.828	+	588.2947	2.828	36	C19704	(589.3036, 1540.19)(590.3045, 907.52)(591.3167, 1971.16)(592.3204, 257.74)	FindByMolecularFeature	C33 H40 N4 O6	2
Dinoflagellate luciferin +5.998	Dinoflagellate luciferin [ C33 H40 N4 O6, overall=61.05, db=61.05, KEGG ID=C19704, METLIN ID=73308 ]			Dinoflagellate luciferin +5.998	+	588.2938	5.998	61.05	C19704	(589.3011, 3937.47)(590.308, 1864.13)	FindByMolecularFeature	C33 H40 N4 O6	2
Diphenylcarbazide +1.3025	Diphenylcarbazide [ C13 H14 N4 O, overall=52.04, db=52.04, CAS ID=140-22-7, KEGG ID=C11232, METLIN ID=68930 ]	140-22-7		Diphenylcarbazide +1.3025	+	259.1418	1.3025	52.04	C11232	(260.1489, 5221.68)(261.1497, 1355.68)	FindByMolecularFeature	C13 H14 N4 O	2
Dodeca-2(e),4(e)-dienoic acid isobutylamide	Dodeca-2(e),4(e)-dienoic acid isobutylamide [ C16 H29 N O, overall=85.62, db=85.62, CAS ID=, METLIN ID=84957 ]			Dodeca-2(e),4(e)-dienoic acid isobutylamide	+	268.2518	4.756	85.62		(269.2588, 33913.8)(270.2624, 5467.96)	FindByMolecularFeature	C16 H29 N O	2
Dodecanol	Dodecanol [ C12 H26 O, overall=48.77, db=48.77, Lipid ID=LMFA05000001, CAS ID=112-53-8, KEGG ID=C02277, METLIN ID=34482 ]	112-53-8		Dodecanol	+	208.183	1.1205	48.77	C02277	(209.1851, 12992.07)(210.191, 2883.6)(417.3667, 618.01)	FindByMolecularFeature	C12 H26 O	2		LMFA05000001
Doisynoestrol	Doisynoestrol [ C19 H22 O3, overall=40.89, db=40.89, CAS ID=15372-34-6, KEGG ID=C15453, METLIN ID=70919 ]	15372-34-6		Doisynoestrol	+	298.1579	1.4745	40.89	C15453	(299.1652, 3820.04)(300.1671, 1268.86)(301.1543, 1212.75)	FindByMolecularFeature	C19 H22 O3	2
Doisynoestrol +2.0085	Doisynoestrol [ C19 H22 O3, overall=77.64, db=77.64, CAS ID=15372-34-6, KEGG ID=C15453, METLIN ID=70919 ]	15372-34-6		Doisynoestrol +2.0085	+	298.1576	2.0085	77.64	C15453	(299.1649, 3610.47)(300.1679, 952.47)	FindByMolecularFeature	C19 H22 O3	2
Dopamine glucuronide	Dopamine glucuronide [ C14 H19 N O8, overall=68.81, db=68.81, CAS ID=38632-24-5, KEGG ID=C03033, METLIN ID=61651, HMP ID=HMDB10329 ]	38632-24-5		Dopamine glucuronide	+	329.1086	6.434	68.81	C03033	(330.1159, 4957.8)(331.1196, 875.98)	FindByMolecularFeature	C14 H19 N O8	2	HMDB10329
Dopamine glucuronide +6.818	Dopamine glucuronide [ C14 H19 N O8, overall=50.35, db=50.35, CAS ID=38632-24-5, KEGG ID=C03033, METLIN ID=61651, HMP ID=HMDB10329 ]	38632-24-5		Dopamine glucuronide +6.818	+	329.1081	6.818	50.35	C03033	(330.1154, 5102.64)(331.1192, 1300.32)	FindByMolecularFeature	C14 H19 N O8	2	HMDB10329
Doxepin	Doxepin [ C19 H21 N O, overall=70.13, db=70.13, CAS ID=1668-19-5, KEGG ID=C06971, METLIN ID=2463 ]	1668-19-5		Doxepin	+	301.1446	8.731	70.13	C06971	(302.1517, 11205.67)(303.1525, 1509.82)(603.2952, 1245.12)	FindByMolecularFeature	C19 H21 N O	2
D-Phenyllactic acid	D-Phenyllactic acid [ C9 H10 O3, overall=63.14, db=63.14, METLIN ID=5547, HMP ID=HMDB00563 ]			D-Phenyllactic acid	+	166.0641	2.3765001	63.14		(167.0714, 10485.19)(168.0727, 2051.66)(169.0702, 904.37)	FindByMolecularFeature	C9 H10 O3	2	HMDB00563
Ectoine	Ectoine [ C6 H10 N2 O2, overall=79.55, db=79.55, CAS ID=96702-03-3, KEGG ID=C06231, METLIN ID=43384 ]	96702-03-3		Ectoine	+	142.0736	7.5264997	79.55	C06231	(143.0809, 12270.56)(144.0829, 1341.69)	FindByMolecularFeature	C6 H10 N2 O2	2
emedastine	emedastine [ C17 H26 N4 O, overall=64.34, db=64.34, CAS ID=, KEGG ID=C07785, METLIN ID=4008 ]			emedastine	+	302.2106	1.29	64.34	C07785	(325.1994, 2461.74)(326.2023, 763.75)(303.2178, 3241.58)(304.2193, 1061.87)(320.2433, 1725.23)	FindByMolecularFeature	C17 H26 N4 O	2
Emopamil	Emopamil [ C23 H30 N2, overall=64.53, db=64.53, CAS ID=78370-13-5, KEGG ID=C13766, METLIN ID=62871, HMP ID=HMDB12224 ]	78370-13-5		Emopamil	+	356.225	3.9705	64.53	C13766	(357.2322, 5165.0)(358.2365, 1580.67)	FindByMolecularFeature	C23 H30 N2	2	HMDB12224
Enicoflavine +6.347	Enicoflavine [ C10 H13 N O4, overall=66.99, db=66.99, CAS ID=56050-08-9, KEGG ID=C09946, METLIN ID=68033 ]	56050-08-9		Enicoflavine +6.347	+	211.0849	6.347	66.99	C09946	(212.0922, 3389.73)(213.1001, 537.21)(229.1165, 599.21)	FindByMolecularFeature	C10 H13 N O4	2
ent-8-iso Prostaglandin F2?	ent-8-iso Prostaglandin F2? [ C20 H34 O5, overall=79.00, db=79.00, METLIN ID=45340 ]			ent-8-iso Prostaglandin F2?	+	376.2222	1.3365	79		(377.2294, 6257.69)(378.2322, 1648.1)	FindByMolecularFeature	C20 H34 O5	2
ent-Corey PG-Lactone Diol +1.6730001	ent-Corey PG-Lactone Diol [ C15 H24 O4, overall=66.23, db=66.23, METLIN ID=64780 ]			ent-Corey PG-Lactone Diol +1.6730001	+	268.1679	1.6730001	66.23		(269.1752, 6502.56)(270.1783, 1361.56)(271.1832, 1742.33)	FindByMolecularFeature	C15 H24 O4	2
Ephedroxane	Ephedroxane [ C11 H13 N O2, overall=47.56, db=47.56, CAS ID=16251-46-0, KEGG ID=C17902, METLIN ID=71935 ]	16251-46-0		Ephedroxane	+	191.0949	6.5635	47.56	C17902	(192.1018, 2437.27)(209.1292, 1939.73)	FindByMolecularFeature	C11 H13 N O2	2
Epinine	Epinine [ C9 H13 N O2, overall=82.68, db=82.68, CAS ID=501-15-5, KEGG ID=C07453, METLIN ID=66649 ]	501-15-5		Epinine	+	167.0948	3.215	82.68	C07453	(168.1021, 11197.92)(169.1038, 1365.77)	FindByMolecularFeature	C9 H13 N O2	2
Epithienamycin B	Epithienamycin B [ C13 H16 N2 O5 S, overall=47.56, db=47.56, KEGG ID=C17396, METLIN ID=71661 ]			Epithienamycin B	+	312.078	4.0550003	47.56	C17396	(335.0673, 3178.13)(313.0854, 4018.18)	FindByMolecularFeature	C13 H16 N2 O5 S	2
Epoxy (4,5?)-4,5-Dihydrosantonin	Epoxy (4,5?)-4,5-Dihydrosantonin [ C15 H18 O4, overall=79.61, db=79.61, CAS ID=, METLIN ID=43595 ]			Epoxy (4,5?)-4,5-Dihydrosantonin	+	262.1208	1.339	79.61		(263.1281, 10254.89)(264.1337, 1710.61)	FindByMolecularFeature	C15 H18 O4	2
Estradiol-17-phenylpropionate	Estradiol-17-phenylpropionate [ C27 H32 O3, overall=81.06, db=81.06, CAS ID=26443-03-8, KEGG ID=C14645, METLIN ID=70228 ]	26443-03-8		Estradiol-17-phenylpropionate	+	426.2183	1.1835	81.06	C14645	(427.2249, 3048.93)(428.2274, 850.17)	FindByMolecularFeature	C27 H32 O3	2
Ethyl 3-(N-butylacetamido)propionate +6.391	Ethyl 3-(N-butylacetamido)propionate [ C11 H21 N O3, overall=80.07, db=80.07, CAS ID=52304-36-6, KEGG ID=C18830, METLIN ID=72595 ]	52304-36-6		Ethyl 3-(N-butylacetamido)propionate +6.391	+	215.1522	6.391	80.07	C18830	(216.1594, 3963.54)(217.1633, 695.9)	FindByMolecularFeature	C11 H21 N O3	2
Ethyl syringate	Ethyl syringate [ C11 H14 O5, overall=74.86, db=74.86, CAS ID=3943-80-4, METLIN ID=84963 ]	3943-80-4		Ethyl syringate	+	243.1111	3.4495	74.86		(244.118, 5478.56)(245.1224, 1044.74)	FindByMolecularFeature	C11 H14 O5	2
Ethyl syringate +1.6365	Ethyl syringate [ C11 H14 O5, overall=52.54, db=52.54, CAS ID=3943-80-4, METLIN ID=84963 ]	3943-80-4		Ethyl syringate +1.6365	+	243.1114	1.6365	52.54		(244.1193, 1546.01)(245.1282, 768.89)(246.1194, 2681.02)	FindByMolecularFeature	C11 H14 O5	2
Ethyl-imidazole carboxylate	Ethyl-imidazole carboxylate [ C6 H8 N2 O2, overall=63.45, db=63.45, CAS ID=23785-21-9, METLIN ID=2646 ]	23785-21-9		Ethyl-imidazole carboxylate	+	140.0585	7.7165	63.45		(141.0658, 5365.63)(142.0676, 1024.93)	FindByMolecularFeature	C6 H8 N2 O2	2
Ethylketocyclazocine	Ethylketocyclazocine [ C19 H25 N O2, overall=64.04, db=64.04, CAS ID=36292-66-7, KEGG ID=C11795, METLIN ID=69225 ]	36292-66-7		Ethylketocyclazocine	+	321.1687	1.4495001	64.04	C11795	(322.1762, 4821.3)(323.1824, 1457.17)	FindByMolecularFeature	C19 H25 N O2	2
Ethyl-p-coumarate	Ethyl-p-coumarate [ C11 H12 O3, overall=54.87, db=54.87, CAS ID=2979-06-8, METLIN ID=84964 ]	6/8/2979		Ethyl-p-coumarate	+	192.0816	1.7019999	54.87		(215.0702, 2209.63)(193.0896, 2508.02)(210.1152, 7689.29)(211.1158, 726.27)	FindByMolecularFeature	C11 H12 O3	2
Fagomine	Fagomine [ C6 H13 N O3, overall=79.93, db=79.93, CAS ID=53185-12-9, KEGG ID=C10144, METLIN ID=68150 ]	53185-12-9		Fagomine	+	147.0896	2.4685001	79.93	C10144	(148.0969, 5263.7)(149.0994, 624.17)	FindByMolecularFeature	C6 H13 N O3	2
Fampridine +5.4175	Fampridine [ C5 H6 N2, overall=65.12, db=65.12, CAS ID=504-24-5, KEGG ID=C13728, METLIN ID=43478 ]	504-24-5		Fampridine +5.4175	+	94.0528	5.4175	65.12	C13728	(95.0604, 4923.16)(96.0627, 884.59)(112.0866, 3817.32)	FindByMolecularFeature	C5 H6 N2	2
Farfugin A	Farfugin A [ C15 H18 O, overall=49.42, db=49.42, METLIN ID=53416 ]			Farfugin A	+	214.1346	4.017	49.42		(215.1408, 2450.32)(216.1539, 974.5)	FindByMolecularFeature	C15 H18 O	2
Fasoracetam	Fasoracetam [ C10 H16 N2 O2, overall=70.34, db=70.34, CAS ID=110958-19-5, KEGG ID=C13311, METLIN ID=69559 ]	110958-19-5		Fasoracetam	+	196.1214	6.0889997	70.34	C13311	(197.1286, 5026.03)(198.1312, 1078.45)	FindByMolecularFeature	C10 H16 N2 O2	2
Felbamate	Felbamate [ C11 H14 N2 O4, overall=80.49, db=80.49, CAS ID=25451-15-4, KEGG ID=C07501, METLIN ID=2654 ]	25451-15-4		Felbamate	+	238.096	1.8640001	80.49	C07501	(239.1032, 5176.25)(240.1056, 887.79)	FindByMolecularFeature	C11 H14 N2 O4	2
Fenuron	Fenuron [ C9 H12 N2 O, overall=77.27, db=77.27, CAS ID=101-42-8, KEGG ID=C11224, METLIN ID=68925 ]	101-42-8		Fenuron	+	186.0756	2.1564999	77.27	C11224	(187.0828, 42631.77)(188.0867, 3975.93)	FindByMolecularFeature	C9 H12 N2 O	2
Ferimzone	Ferimzone [ C15 H18 N4, overall=47.60, db=47.60, CAS ID=89269-64-7, KEGG ID=C18579, METLIN ID=72381 ]	89269-64-7		Ferimzone	+	254.1525	1.3645	47.6	C18579	(531.2918, 808.41)(255.1605, 1840.62)(526.3354, 894.76)	FindByMolecularFeature	C15 H18 N4	2
Filicin	Filicin [ C36 H44 O12, overall=53.82, db=53.82, CAS ID=4482-83-1, KEGG ID=C10693, METLIN ID=68501 ]	4482-83-1		Filicin	+	668.2859	5.9960003	53.82	C10693	(691.2755, 1209.25)(669.293, 1830.27)(670.2971, 953.01)	FindByMolecularFeature	C36 H44 O12	2
Flavoxate	Flavoxate [ C24 H25 N O4, overall=90.24, db=90.24, CAS ID=15301-69-6, KEGG ID=C07809, METLIN ID=66745 ]	15301-69-6		Flavoxate	+	408.2051	1.4725	90.24	C07809	(409.2123, 28119.33)(410.2157, 7428.32)(411.224, 2171.43)	FindByMolecularFeature	C24 H25 N O4	2
Fluenetil	Fluenetil [ C16 H15 F O2, overall=78.29, db=78.29, CAS ID=4301-50-2, KEGG ID=C19031, METLIN ID=72782 ]	4301-50-2		Fluenetil	+	258.1047	1.62	78.29	C19031	(281.0962, 714.25)(259.1119, 14776.12)(260.1177, 2872.83)	FindByMolecularFeature	C16 H15 F O2	2
flumethasone pivalate	flumethasone pivalate [ C27 H36 F2 O6, overall=60.39, db=60.39, CAS ID=2002-29-1, METLIN ID=4030 ]	2002-29-1		flumethasone pivalate	+	511.2777	2.0774999	60.39		(512.2851, 7008.96)(513.2881, 2328.81)	FindByMolecularFeature	C27 H36 F2 O6	2
flumethasone pivalate +3.5254998	flumethasone pivalate [ C27 H36 F2 O6, overall=49.70, db=49.70, CAS ID=2002-29-1, METLIN ID=4030 ]	2002-29-1		flumethasone pivalate +3.5254998	+	494.2512	3.5254998	49.7		(517.2397, 2036.18)(495.2585, 2386.01)(496.2613, 1231.09)(512.2865, 2992.76)(513.2882, 987.72)	FindByMolecularFeature	C27 H36 F2 O6	2
Flupenthixol-O-glucuronide +6.056	Flupenthixol-O-glucuronide [ C29 H34 F3 N3 O7 S, overall=68.41, db=68.41, CAS ID=, METLIN ID=2773 ]			Flupenthixol-O-glucuronide +6.056	+	642.2346	6.056	68.41		(643.2411, 5910.43)(644.2438, 1854.35)	FindByMolecularFeature	C29 H34 F3 N3 O7 S	2
Fluvoxamine +6.495	Fluvoxamine [ C15 H21 F3 N2 O2, overall=47.85, db=47.85, CAS ID=54739-18-3, KEGG ID=C07571, METLIN ID=2949 ]	54739-18-3		Fluvoxamine +6.495	+	318.1575	6.495	47.85	C07571	(319.1667, 1429.21)(637.3216, 2669.48)(638.3236, 1142.61)	FindByMolecularFeature	C15 H21 F3 N2 O2	2
Formyl-5-hydroxykynurenamine	Formyl-5-hydroxykynurenamine [ C10 H12 N2 O3, overall=42.51, db=42.51, CAS ID=, KEGG ID=C05647, METLIN ID=63540 ]			Formyl-5-hydroxykynurenamine	+	208.0853	2.584	42.51	C05647	(209.0924, 4828.31)(210.1013, 1320.48)	FindByMolecularFeature	C10 H12 N2 O3	2
Fumonisin A1	Fumonisin A1 [ C36 H61 N O16, overall=67.39, db=67.39, Lipid ID=LMSP01080026, METLIN ID=53926 ]			Fumonisin A1	+	763.3993	1.1884999	67.39		(764.4066, 5727.94)(765.4086, 2396.4)	FindByMolecularFeature	C36 H61 N O16	2		LMSP01080026
Furafylline	Furafylline [ C12 H12 N4 O3, overall=60.26, db=60.26, CAS ID=80288-49-9, METLIN ID=24065 ]	80288-49-9		Furafylline	+	260.088	2.913	60.26		(261.0953, 16613.91)(262.099, 1920.62)	FindByMolecularFeature	C12 H12 N4 O3	2
Fusicoccin H	Fusicoccin H [ C26 H42 O8, overall=78.24, db=78.24, CAS ID=50906-51-9, KEGG ID=C09093, METLIN ID=67422 ]	50906-51-9		Fusicoccin H	+	482.288	2.3335	78.24	C09093	(483.2941, 2397.92)(500.3218, 8542.43)(501.3251, 2674.64)	FindByMolecularFeature	C26 H42 O8	2
GA	GA [ C17 H19 N3 O2, overall=82.49, db=82.49, KEGG ID=C11484, METLIN ID=69060 ]			GA	+	297.1481	4.515	82.49	C11484	(298.1554, 12305.87)(299.1582, 2874.77)	FindByMolecularFeature	C17 H19 N3 O2	2
Gabunine	Gabunine [ C42 H50 N4 O5, overall=48.57, db=48.57, CAS ID=1357-30-8, KEGG ID=C09195, METLIN ID=67505 ]	1357-30-8		Gabunine	+	707.4089	1.198	48.57	C09195	(708.4155, 3574.98)(709.4207, 1531.82)	FindByMolecularFeature	C42 H50 N4 O5	2
Gibberellin A9	Gibberellin A9 [ C19 H24 O4, overall=68.60, db=68.60, KEGG ID=C11863, METLIN ID=41232 ]			Gibberellin A9	+	316.1675	3.0365	68.6	C11863	(317.1748, 4986.42)(318.1805, 1435.71)	FindByMolecularFeature	C19 H24 O4	2
Gingerdione	Gingerdione [ C17 H24 O4, overall=46.27, db=46.27, CAS ID=61871-71-4, KEGG ID=C10459, METLIN ID=68340 ]	61871-71-4		Gingerdione	+	292.169	1.0875	46.27	C10459	(293.1771, 2256.51)(310.2019, 3694.56)	FindByMolecularFeature	C17 H24 O4	2
Gln Asn Tyr	Gln Asn Tyr [ C18 H25 N5 O7, overall=59.78, db=59.78, METLIN ID=21152 ]			Gln Asn Tyr	+	440.2023	1.1075	59.78		(441.2089, 2096.16)(442.2107, 869.97)	FindByMolecularFeature	C18 H25 N5 O7	2
Gloriosine	Gloriosine [ C21 H23 N O6, overall=81.86, db=81.86, CAS ID=7411-12-3, KEGG ID=C19981, METLIN ID=73468 ]	12/3/7411		Gloriosine	+	385.1534	1.0534999	81.86	C19981	(386.1606, 5388.57)(387.1638, 1277.96)	FindByMolecularFeature	C21 H23 N O6	2
Glu Gln	Glu Gln [ C10 H17 N3 O6, overall=78.46, db=78.46, METLIN ID=23922 ]			Glu Gln	+	275.1117	7.3415	78.46		(276.119, 4020.24)(277.1224, 717.0)	FindByMolecularFeature	C10 H17 N3 O6	2
Glu Gln +7.4525	Glu Gln [ C10 H17 N3 O6, overall=70.64, db=70.64, METLIN ID=23922 ]			Glu Gln +7.4525	+	275.1117	7.4525	70.64		(276.119, 4937.0)(277.1222, 1069.64)	FindByMolecularFeature	C10 H17 N3 O6	2
Glu Ile	Glu Ile [ C11 H20 N2 O5, overall=62.69, db=62.69, METLIN ID=23727 ]			Glu Ile	+	260.1375	7.9119997	62.69		(261.1442, 3455.96)(262.1463, 908.67)	FindByMolecularFeature	C11 H20 N2 O5	2
Glu-P-2	Glu-P-2 [ C10 H8 N4, overall=81.35, db=81.35, CAS ID=67730-10-3, KEGG ID=C19245, METLIN ID=72966 ]	67730-10-3		Glu-P-2	+	184.0743	2.293	81.35	C19245	(185.0815, 6381.13)(186.0843, 1039.41)	FindByMolecularFeature	C10 H8 N4	2
Gly Ile Ala	Gly Ile Ala [ C11 H21 N3 O4, overall=65.50, db=65.50, METLIN ID=20118 ]			Gly Ile Ala	+	259.1535	6.8424997	65.5		(260.1608, 5809.45)(261.1598, 1221.85)	FindByMolecularFeature	C11 H21 N3 O4	2
Gly Tyr Asp	Gly Tyr Asp [ C15 H19 N3 O7, overall=44.32, db=44.32, METLIN ID=20888 ]			Gly Tyr Asp	+	375.1015	1.6405001	44.32		(376.1092, 3137.63)(377.111, 1074.44)	FindByMolecularFeature	C15 H19 N3 O7	2
Glycolic acid	Glycolic acid [ C2 H4 O3, overall=41.23, db=41.23, Lipid ID=LMFA01050148, CAS ID=79-14-1, KEGG ID=C00160, METLIN ID=3219, HMP ID=HMDB00115 ]	79-14-1		Glycolic acid	+	76.0148	7.6975	41.23	C00160	(77.0224, 3881.81)(170.0635, 3450.2)(171.0746, 1199.27)(153.0367, 2601.36)	FindByMolecularFeature	C2 H4 O3	2	HMDB00115	LMFA01050148
Goniothalenol	Goniothalenol [ C13 H12 O4, overall=59.91, db=59.91, CAS ID=65408-91-5, KEGG ID=C09930, METLIN ID=68020 ]	65408-91-5		Goniothalenol	+	249.1007	1.9530001	59.91	C09930	(250.1081, 5214.49)(251.1098, 1547.91)	FindByMolecularFeature	C13 H12 O4	2
Granisetron	Granisetron [ C18 H24 N4 O, overall=49.47, db=49.47, CAS ID=109889-09-0, KEGG ID=C07023, METLIN ID=3139 ]	109889-09-0		Granisetron	+	334.178	1.474	49.47	C07023	(335.1853, 4543.2)(336.1906, 1130.92)(337.1722, 1108.28)	FindByMolecularFeature	C18 H24 N4 O	2
Granisetron +3.0314999	Granisetron [ C18 H24 N4 O, overall=66.44, db=66.44, CAS ID=109889-09-0, KEGG ID=C07023, METLIN ID=3139 ]	109889-09-0		Granisetron +3.0314999	+	334.1778	3.0314999	66.44	C07023	(335.1857, 3858.56)(336.1889, 1160.36)	FindByMolecularFeature	C18 H24 N4 O	2
Halfordinol	Halfordinol [ C14 H10 N2 O2, overall=67.41, db=67.41, CAS ID=4210-82-6, KEGG ID=C10596, METLIN ID=68416 ]	4210-82-6		Halfordinol	+	255.1021	7.7	67.41	C10596	(256.1094, 5444.21)(257.1124, 1338.83)	FindByMolecularFeature	C14 H10 N2 O2	2
HC Yellow No. 4	HC Yellow No. 4 [ C10 H14 N2 O5, overall=44.26, db=44.26, CAS ID=59820-43-8, KEGG ID=C19431, METLIN ID=73131 ]	59820-43-8		HC Yellow No. 4	+	242.0909	1.5745001	44.26	C19431	(265.0804, 2704.75)(243.098, 2439.4)	FindByMolecularFeature	C10 H14 N2 O5	2
Herbimycin	Herbimycin [ C30 H42 N2 O9, overall=45.56, db=45.56, CAS ID=70563-58-5, KEGG ID=C11225, METLIN ID=68926 ]	70563-58-5		Herbimycin	+	591.317	1.24	45.56	C11225	(592.3243, 8739.82)(593.3316, 5738.54)(594.3344, 2343.78)(595.3351, 393.31)	FindByMolecularFeature	C30 H42 N2 O9	2
Hexanoylglycine +6.0629997	Hexanoylglycine [ C8 H15 N O3, overall=21.01, db=21.01, CAS ID=24003-67-6, METLIN ID=5669, HMP ID=HMDB00701 ]	24003-67-6		Hexanoylglycine +6.0629997	+	173.1075	6.0629997	21.01		(196.0971, 5049.09)(174.1134, 1901.61)	FindByMolecularFeature	C8 H15 N O3	2	HMDB00701
Hildgardtene	Hildgardtene [ C21 H20 O3, overall=56.79, db=56.79, Lipid ID=LMPK12020282, METLIN ID=47498 ]			Hildgardtene	+	320.1378	1.8629999	56.79		(343.131, 923.58)(321.1451, 5322.76)(322.1479, 1240.75)	FindByMolecularFeature	C21 H20 O3	2		LMPK12020282
His Arg	His Arg [ C12 H21 N7 O3, overall=60.89, db=60.89, METLIN ID=23861 ]			His Arg	+	311.173	4.892	60.89		(312.1803, 11619.99)(313.184, 2361.57)	FindByMolecularFeature	C12 H21 N7 O3	2
His Lys +2.8639998	His Lys [ C12 H21 N5 O3, overall=79.77, db=79.77, METLIN ID=23848 ]			His Lys +2.8639998	+	283.1631	2.8639998	79.77		(284.1703, 5769.88)(285.174, 890.78)	FindByMolecularFeature	C12 H21 N5 O3	2
His Pro +6.7775	His Pro [ C11 H16 N4 O3, overall=79.41, db=79.41, METLIN ID=23935 ]			His Pro +6.7775	+	269.1488	6.7775	79.41		(270.1561, 15690.62)(271.1607, 2675.23)	FindByMolecularFeature	C11 H16 N4 O3	2
Histidylleucine +2.924	Histidylleucine [ C12 H20 N4 O3, overall=70.57, db=70.57, CAS ID=7763-65-7, KEGG ID=C05010, METLIN ID=66283 ]	7763-65-7		Histidylleucine +2.924	+	268.1528	2.924	70.57	C05010	(269.1598, 6132.98)(270.1641, 1362.59)(286.1868, 5869.46)(287.1897, 898.08)	FindByMolecularFeature	C12 H20 N4 O3	2
Homatropine +4.5395	Homatropine [ C16 H21 N O3, overall=68.31, db=68.31, CAS ID=87-00-3, KEGG ID=C07814, METLIN ID=3162 ]	87-00-3		Homatropine +4.5395	+	275.1519	4.5395	68.31	C07814	(276.1592, 6333.54)(277.1622, 1866.57)	FindByMolecularFeature	C16 H21 N O3	2
Hydroxybupropion	Hydroxybupropion [ C13 H20 Cl N O2, overall=84.50, db=84.50, CAS ID=, METLIN ID=1445 ]			Hydroxybupropion	+	257.1183	4.2265	84.5		(258.1256, 7282.83)(259.1296, 1726.13)(260.1234, 2513.33)	FindByMolecularFeature	C13 H20 Cl N O2	2
Hydroxyphenoxyethylaminohydroxypropanol +1.6329999	Hydroxyphenoxyethylaminohydroxypropanol [ C11 H17 N O4, overall=63.17, db=63.17, CAS ID=114849-42-2, METLIN ID=1575 ]	114849-42-2		Hydroxyphenoxyethylaminohydroxypropanol +1.6329999	+	227.1169	1.6329999	63.17		(250.1064, 1078.95)(228.1237, 5109.19)(229.128, 1205.04)	FindByMolecularFeature	C11 H17 N O4	2
Hydroxyphenoxyethylaminohydroxypropanol +6.7525	Hydroxyphenoxyethylaminohydroxypropanol [ C11 H17 N O4, overall=51.70, db=51.70, CAS ID=114849-42-2, METLIN ID=1575 ]	114849-42-2		Hydroxyphenoxyethylaminohydroxypropanol +6.7525	+	227.1162	6.7525	51.7		(228.1235, 2826.61)(229.1284, 1201.83)	FindByMolecularFeature	C11 H17 N O4	2
Hypaphorine	Hypaphorine [ C14 H19 N2 O2, overall=97.66, db=97.66, CAS ID=487-58-1, KEGG ID=C09213, METLIN ID=67522 ]	487-58-1		Hypaphorine	+	246.1372	5.602	97.66	C09213	(269.1265, 1502.39)(247.1444, 25321.06)(248.1475, 4293.92)(249.1559, 602.64)	FindByMolecularFeature	C14 H19 N2 O2	2
Hypusine	Hypusine [ C10 H23 N3 O3, overall=52.93, db=52.93, CAS ID=34994-11-1, METLIN ID=61996, HMP ID=HMDB11140 ]	34994-11-1		Hypusine	+	233.1743	8.9865	52.93		(234.1816, 3786.65)(235.1878, 945.24)	FindByMolecularFeature	C10 H23 N3 O3	2	HMDB11140
Imidazoleacetic acid	Imidazoleacetic acid [ C5 H6 N2 O2, overall=84.28, db=84.28, CAS ID=645-65-8, KEGG ID=C02835, METLIN ID=6445, HMP ID=HMDB02024 ]	645-65-8		Imidazoleacetic acid	+	126.0428	7.1099997	84.28	C02835	(127.05, 6851.65)(128.0531, 630.58)	FindByMolecularFeature	C5 H6 N2 O2	2	HMDB02024
Immepip +9.62	Immepip [ C9 H15 N3, overall=80.39, db=80.39, CAS ID=151070-83-6, KEGG ID=C17932, METLIN ID=71954 ]	151070-83-6		Immepip +9.62	+	182.1533	9.62	80.39	C17932	(183.1605, 17110.29)(184.1618, 2626.12)	FindByMolecularFeature	C9 H15 N3	2
Indole-3-carboxaldehyde	Indole-3-carboxaldehyde [ C9 H7 N O, overall=82.98, db=82.98, CAS ID=487-89-8, KEGG ID=C08493, METLIN ID=67018 ]	487-89-8		Indole-3-carboxaldehyde	+	145.0529	2.099	82.98	C08493	(146.0602, 11428.33)(147.0637, 1603.05)(308.1347, 1641.01)	FindByMolecularFeature	C9 H7 N O	2
Ipconazole	Ipconazole [ C18 H24 Cl N3 O, overall=47.98, db=47.98, CAS ID=125225-28-7, KEGG ID=C18471, METLIN ID=72277 ]	125225-28-7		Ipconazole	+	333.1579	1.4384999	47.98	C18471	(334.1657, 3261.96)(335.1748, 1126.05)	FindByMolecularFeature	C18 H24 Cl N3 O	2
Ipecac (Psychotrine)	Ipecac (Psychotrine) [ C28 H36 N2 O4, overall=39.88, db=39.88, CAS ID=7633-29-6, KEGG ID=C09612, METLIN ID=836 ]	7633-29-6		Ipecac (Psychotrine)	+	481.2905	6.2005	39.88	C09612	(482.2978, 2606.97)(483.2982, 1023.44)	FindByMolecularFeature	C28 H36 N2 O4	2
Iprovalicarb +7.3225	Iprovalicarb [ C18 H28 N2 O3, overall=84.97, db=84.97, CAS ID=140923-17-7, KEGG ID=C18866, METLIN ID=72628 ]	140923-17-7		Iprovalicarb +7.3225	+	320.21	7.3225	84.97	C18866	(321.2173, 8734.84)(322.2202, 1917.11)	FindByMolecularFeature	C18 H28 N2 O3	2
Isofenphos	Isofenphos [ C15 H24 N O4 P S, overall=58.74, db=58.74, CAS ID=25311-71-1, KEGG ID=C11002, METLIN ID=68762 ]	25311-71-1		Isofenphos	+	345.1157	1.6935	58.74	C11002	(346.123, 3700.42)(347.126, 1431.68)	FindByMolecularFeature	C15 H24 N O4 P S	2
Isopropenylacetic acid	Isopropenylacetic acid [ C5 H8 O2, overall=68.73, db=68.73, Lipid ID=LMFA01020110, CAS ID=, METLIN ID=4635 ]			Isopropenylacetic acid	+	100.0534	6.4565	68.73		(101.0607, 6550.7)(102.0614, 662.81)	FindByMolecularFeature	C5 H8 O2	2		LMFA01020110
Istamycin AO +5.0875	Istamycin AO [ C13 H27 N3 O7, overall=73.18, db=73.18, KEGG ID=C17982, METLIN ID=71978 ]			Istamycin AO +5.0875	+	337.1866	5.0875	73.18	C17982	(697.3618, 942.93)(338.1941, 1790.41)(355.2203, 24754.98)(356.2232, 2753.13)	FindByMolecularFeature	C13 H27 N3 O7	2
I-Urobilin +2.394	I-Urobilin [ C33 H42 N4 O6, overall=58.56, db=58.56, CAS ID=1856-98-0, KEGG ID=C05794, METLIN ID=58222, HMP ID=HMDB04160 ]	1856-98-0		I-Urobilin +2.394	+	590.3094	2.394	58.56	C05794	(591.318, 2125.06)(592.3197, 1391.78)	FindByMolecularFeature	C33 H42 N4 O6	2	HMDB04160
Jasplakinolide	Jasplakinolide [ C36 H45 Br N4 O6, overall=61.17, db=61.17, CAS ID=102396-24-7, KEGG ID=C16883, METLIN ID=71406 ]	102396-24-7		Jasplakinolide	+	730.2376	1.026	61.17	C16883	(731.2442, 1674.31)(732.2396, 1432.25)(733.2411, 671.89)	FindByMolecularFeature	C36 H45 Br N4 O6	2
Juvabione	Juvabione [ C16 H26 O3, overall=55.87, db=55.87, CAS ID=17904-27-7, KEGG ID=C09693, METLIN ID=67888 ]	17904-27-7		Juvabione	+	266.188	1.2425001	55.87	C09693	(555.3582, 620.89)(267.1953, 4229.03)(268.1959, 1332.33)	FindByMolecularFeature	C16 H26 O3	2
Karakoline	Karakoline [ C22 H35 N O4, overall=51.47, db=51.47, CAS ID=39089-30-0, KEGG ID=C08693, METLIN ID=67127 ]	39089-30-0		Karakoline	+	399.2364	6.7005	51.47	C08693	(400.2437, 2414.72)(401.2484, 1151.55)	FindByMolecularFeature	C22 H35 N O4	2
Karwinaphthol B	Karwinaphthol B [ C17 H20 O4, overall=20.31, db=20.31, CAS ID=98891-35-1, KEGG ID=C09942, METLIN ID=68029 ]	98891-35-1		Karwinaphthol B	+	288.1331	4.498	20.31	C09942	(311.1222, 2617.69)(289.1401, 2880.67)	FindByMolecularFeature	C17 H20 O4	2
Ketamine	Ketamine [ C13 H16 Cl N O, overall=78.08, db=78.08, CAS ID=6740-88-1, KEGG ID=C07525, METLIN ID=881 ]	6740-88-1		Ketamine	+	237.0927	3.997	78.08	C07525	(238.1, 6491.78)(239.1039, 1193.88)(240.0978, 3326.14)(241.1003, 436.09)	FindByMolecularFeature	C13 H16 Cl N O	2
l-2-hydroxy-decanoic acid +1.3299999	l-2-hydroxy-decanoic acid [ C10 H20 O3, overall=21.36, db=21.36, METLIN ID=35599 ]			l-2-hydroxy-decanoic acid +1.3299999	+	188.1439	1.3299999	21.36		(211.1332, 11023.53)(189.1483, 1372.23)	FindByMolecularFeature	C10 H20 O3	2
L-4-Hydroxy-3-methoxy-a-methylphenylalanine +7.3190002	L-4-Hydroxy-3-methoxy-a-methylphenylalanine [ C11 H15 N O4, overall=47.50, db=47.50, CAS ID=6739-31-7, METLIN ID=1219 ]	6739-31-7		L-4-Hydroxy-3-methoxy-a-methylphenylalanine +7.3190002	+	225.1006	7.3190002	47.5		(226.1084, 1883.89)(243.1341, 2563.39)	FindByMolecularFeature	C11 H15 N O4	2
Laserpitin	Laserpitin [ C25 H38 O7, overall=73.40, db=73.40, CAS ID=7067-12-1, KEGG ID=C09697, METLIN ID=67891 ]	12/1/7067		Laserpitin	+	450.2626	1.4779999	73.4	C09697	(451.2702, 4066.76)(452.2719, 1301.92)	FindByMolecularFeature	C25 H38 O7	2
L-beta-aspartyl-L-alanine +2.147	L-beta-aspartyl-L-alanine [ C7 H12 N2 O5, overall=81.12, db=81.12, METLIN ID=62011, HMP ID=HMDB11162 ]			L-beta-aspartyl-L-alanine +2.147	+	204.0752	2.147	81.12		(205.0824, 18655.79)(206.0865, 2037.73)(222.1104, 1233.53)	FindByMolecularFeature	C7 H12 N2 O5	2	HMDB11162
Lentiginosine +1.3425	Lentiginosine [ C8 H15 N O2, overall=50.68, db=50.68, CAS ID=125279-72-3, KEGG ID=C10155, METLIN ID=68160 ]	125279-72-3		Lentiginosine +1.3425	+	157.11	1.3425	50.68	C10155	(158.1173, 5286.01)(159.1178, 1330.88)(175.1418, 972.42)	FindByMolecularFeature	C8 H15 N O2	2
Lepidissipyrone	Lepidissipyrone [ C24 H22 O7, overall=63.63, db=63.63, Lipid ID=LMPK12140212, METLIN ID=52701 ]			Lepidissipyrone	+	422.1396	5.44	63.63		(423.1469, 5844.55)(424.1501, 1423.06)	FindByMolecularFeature	C24 H22 O7	2		LMPK12140212
Leu Ala +7.8645	Leu Ala [ C9 H18 N2 O3, overall=56.53, db=56.53, CAS ID=, METLIN ID=44685 ]			Leu Ala +7.8645	+	202.1325	7.8645	56.53		(203.1398, 2910.8)(204.1416, 936.7)	FindByMolecularFeature	C9 H18 N2 O3	2
Leu Ala His	Leu Ala His [ C15 H25 N5 O4, overall=40.67, db=40.67, METLIN ID=16975 ]			Leu Ala His	+	361.1712	4.1635	40.67		(362.1781, 2843.39)(363.1773, 909.89)	FindByMolecularFeature	C15 H25 N5 O4	2
Leu His Thr	Leu His Thr [ C16 H27 N5 O5, overall=55.78, db=55.78, METLIN ID=23028 ]			Leu His Thr	+	391.1813	4.3655	55.78		(392.1886, 3613.05)(393.1975, 1210.28)	FindByMolecularFeature	C16 H27 N5 O5	2
Leucomethylene blue (Reduced Methylene Blue)	Leucomethylene blue (Reduced Methylene Blue) [ C16 H19 N3 S, overall=68.32, db=68.32, CAS ID=613-11-6, KEGG ID=C05721, METLIN ID=1223 ]	613-11-6		Leucomethylene blue (Reduced Methylene Blue)	+	302.1549	8.2005005	68.32	C05721	(303.1622, 7746.43)(304.1658, 1661.52)	FindByMolecularFeature	C16 H19 N3 S	2
Leupeptin +1.1719999	Leupeptin [ C20 H38 N6 O4, overall=64.58, db=64.58, CAS ID=24365-47-7, KEGG ID=C01591, METLIN ID=65617 ]	24365-47-7		Leupeptin +1.1719999	+	426.2966	1.1719999	64.58	C01591	(427.3039, 2577.9)(428.3068, 942.84)(444.3311, 1270.68)	FindByMolecularFeature	C20 H38 N6 O4	2
Leu-Val-OH	Leu-Val-OH [ C16 H22 N2 O6, overall=53.31, db=53.31, METLIN ID=65129 ]			Leu-Val-OH	+	338.1482	1.8245	53.31		(361.1369, 787.97)(339.1557, 3002.1)(340.1605, 1291.4)	FindByMolecularFeature	C16 H22 N2 O6	2
Levofuraltadone	Levofuraltadone [ C13 H16 N4 O6, overall=71.28, db=71.28, CAS ID=3795-88-8, KEGG ID=C19267, METLIN ID=72985 ]	3795-88-8		Levofuraltadone	+	346.0877	4.0065002	71.28	C19267	(347.0949, 5672.32)(348.0976, 1275.9)	FindByMolecularFeature	C13 H16 N4 O6	2
Levofuraltadone +3.7035	Levofuraltadone [ C13 H16 N4 O6, overall=66.60, db=66.60, CAS ID=3795-88-8, KEGG ID=C19267, METLIN ID=72985 ]	3795-88-8		Levofuraltadone +3.7035	+	346.0875	3.7035	66.6	C19267	(347.0948, 3073.62)(348.1003, 718.2)	FindByMolecularFeature	C13 H16 N4 O6	2
L-Glutamic acid n-butyl ester	L-Glutamic acid n-butyl ester [ C9 H17 N O4, overall=53.63, db=53.63, CAS ID=152726-66-4, METLIN ID=3544 ]	152726-66-4		L-Glutamic acid n-butyl ester	+	203.1146	6.0675	53.63		(204.1226, 3186.21)(205.129, 835.68)	FindByMolecularFeature	C9 H17 N O4	2
L-glycyl-L-hydroxyproline	L-glycyl-L-hydroxyproline [ C7 H12 N2 O4, overall=45.37, db=45.37, METLIN ID=62021, HMP ID=HMDB11173 ]			L-glycyl-L-hydroxyproline	+	188.0802	6.201	45.37		(211.0696, 2171.48)(189.0875, 1380.15)	FindByMolecularFeature	C7 H12 N2 O4	2	HMDB11173
L-Homotyrosine +1.618	L-Homotyrosine [ C10 H13 N O3, overall=51.98, db=51.98, KEGG ID=C18622, METLIN ID=72416 ]			L-Homotyrosine +1.618	+	195.09	1.618	51.98	C18622	(196.0973, 3305.24)(197.0971, 978.29)	FindByMolecularFeature	C10 H13 N O3	2
Linoleamide	Linoleamide [ C18 H33 N O, overall=84.68, db=84.68, Lipid ID=LMFA08010008, CAS ID=, METLIN ID=43435 ]			Linoleamide	+	279.256	1.1600001	84.68		(280.2633, 4657.13)(281.2656, 925.73)	FindByMolecularFeature	C18 H33 N O	2		LMFA08010008
Linoleamide +4.9425	Linoleamide [ C18 H33 N O, overall=71.54, db=71.54, Lipid ID=LMFA08010008, CAS ID=, METLIN ID=43435 ]			Linoleamide +4.9425	+	296.2827	4.9425	71.54		(297.2901, 4646.48)(298.2934, 1428.38)	FindByMolecularFeature	C18 H33 N O	2		LMFA08010008
lithocholic acid sulfate +6.3030005	lithocholic acid sulfate [ C24 H40 O6 S, overall=67.26, db=67.26, Lipid ID=LMST05020015, CAS ID=34669-57-3, METLIN ID=210, HMP ID=HMDB00907 ]	34669-57-3		lithocholic acid sulfate +6.3030005	+	473.2858	6.3030005	67.26		(474.2914, 5272.1)(475.2936, 1316.79)(476.3039, 364.48)	FindByMolecularFeature	C24 H40 O6 S	2	HMDB00907	LMST05020015
L-Lysine +8.948	L-Lysine [ C6 H14 N2 O2, overall=78.70, db=78.70, CAS ID=56-87-1, KEGG ID=C00047, METLIN ID=25, HMP ID=HMDB00182 ]	56-87-1		L-Lysine +8.948	+	146.1057	8.948	78.7	C00047	(147.113, 7469.27)(148.1124, 652.13)	FindByMolecularFeature	C6 H14 N2 O2	2	HMDB00182
Lophophorine +3.997	Lophophorine [ C13 H17 N O3, overall=69.41, db=69.41, CAS ID=17627-78-0, KEGG ID=C09573, METLIN ID=67815 ]	17627-78-0		Lophophorine +3.997	+	257.1012	3.997	69.41	C09573	(258.1084, 4118.2)(259.1202, 845.72)	FindByMolecularFeature	C13 H17 N O3	2
L-Prolinamide +6.06	L-Prolinamide [ C5 H10 N2 O, overall=87.92, db=87.92, CAS ID=7531-52-4, KEGG ID=C19781, METLIN ID=73355 ]	7531-52-4		L-Prolinamide +6.06	+	136.0612	6.06	87.92	C19781	(137.0685, 39441.6)(138.0712, 2680.8)	FindByMolecularFeature	C5 H10 N2 O	2
L-Prolinamide +6.068	L-Prolinamide [ C5 H10 N2 O, overall=38.26, db=38.26, CAS ID=7531-52-4, KEGG ID=C19781, METLIN ID=73355 ]	7531-52-4		L-Prolinamide +6.068	+	114.0789	6.068	38.26	C19781	(251.1468, 1015.0)(115.0863, 26649.64)(116.083, 6545.45)	FindByMolecularFeature	C5 H10 N2 O	2
Lucidine B	Lucidine B [ C30 H49 N3 O, overall=23.46, db=23.46, CAS ID=71384-23-1, KEGG ID=C09869, METLIN ID=67977 ]	71384-23-1		Lucidine B	+	467.384	1.0875001	23.46	C09869	(490.3742, 663.19)(468.391, 2712.6)(469.3915, 1672.23)	FindByMolecularFeature	C30 H49 N3 O	2
L-Urobilin +2.483	L-Urobilin [ C33 H46 N4 O6, overall=62.93, db=62.93, CAS ID=34217-90-8, KEGG ID=C05793, METLIN ID=7022, HMP ID=HMDB04159 ]	34217-90-8		L-Urobilin +2.483	+	594.3409	2.483	62.93	C05793	(595.3482, 1615.96)(596.3508, 819.28)	FindByMolecularFeature	C33 H46 N4 O6	2	HMDB04159
L-Urobilin +6.068	L-Urobilin [ C33 H46 N4 O6, overall=71.21, db=71.21, CAS ID=34217-90-8, KEGG ID=C05793, METLIN ID=7022, HMP ID=HMDB04159 ]	34217-90-8		L-Urobilin +6.068	+	594.3419	6.068	71.21	C05793	(595.3491, 3837.97)(596.3518, 1636.65)	FindByMolecularFeature	C33 H46 N4 O6	2	HMDB04159
Lys Arg Arg	Lys Arg Arg [ C18 H38 N10 O4, overall=22.68, db=22.68, METLIN ID=23439 ]			Lys Arg Arg	+	458.3078	1.3285	22.68		(481.2883, 604.88)(459.3151, 1048.18)(460.3266, 788.8)(461.3257, 1298.26)	FindByMolecularFeature	C18 H38 N10 O4	2
Lysine	Lysine [ C6 H14 N2 O2, overall=47.76, db=47.76, KEGG ID=C16440, METLIN ID=71200 ]			Lysine	+	168.09	6.0620003	47.76	C16440	(169.0973, 3008.34)(170.0923, 979.32)	FindByMolecularFeature	C6 H14 N2 O2	2
M 344	M 344 [ C16 H25 N3 O3, overall=67.98, db=67.98, CAS ID=251456-60-7, METLIN ID=45479 ]	251456-60-7		M 344	+	307.1897	7.7655	67.98		(308.197, 4064.41)(309.1981, 1143.4)	FindByMolecularFeature	C16 H25 N3 O3	2
Maculosin	Maculosin [ C14 H16 N2 O3, overall=44.72, db=44.72, CAS ID=4549-02-4, KEGG ID=C10605, METLIN ID=68423 ]	2/4/4549		Maculosin	+	260.119	1.481	44.72	C10605	(543.2281, 10566.89)(544.2306, 3942.97)(545.2339, 1375.96)(261.1251, 5033.57)(262.1291, 963.5)	FindByMolecularFeature	C14 H16 N2 O3	2
Mebhydrolin +8.7225	Mebhydrolin [ C19 H20 N2, overall=68.24, db=68.24, CAS ID=524-81-2, METLIN ID=43471 ]	524-81-2		Mebhydrolin +8.7225	+	298.1467	8.7225	68.24		(299.1537, 7555.25)(300.1567, 1285.73)(301.1485, 860.26)	FindByMolecularFeature	C19 H20 N2	2
Medroxyprogesterone glucuronide	Medroxyprogesterone glucuronide [ C28 H40 O9, overall=59.74, db=59.74, CAS ID=, METLIN ID=1095 ]			Medroxyprogesterone glucuronide	+	520.2686	2.032	59.74		(521.2759, 2398.69)(522.2789, 423.33)(523.2897, 296.78)	FindByMolecularFeature	C28 H40 O9	2
Mefenacet	Mefenacet [ C16 H14 N2 O2 S, overall=98.79, db=98.79, CAS ID=73250-68-7, KEGG ID=C14525, METLIN ID=70126 ]	73250-68-7		Mefenacet	+	315.1044	2.933	98.79	C14525	(316.1117, 14105.25)(317.1151, 2751.38)(318.1102, 988.46)	FindByMolecularFeature	C16 H14 N2 O2 S	2
meglumine	meglumine [ C7 H17 N O5, overall=97.73, db=97.73, CAS ID=6284-40-8, METLIN ID=4045 ]	6284-40-8		meglumine	+	195.111	7.0325003	97.73		(196.1183, 40530.1)(197.1223, 3506.74)(198.1231, 948.65)	FindByMolecularFeature	C7 H17 N O5	2
MeIQx +1.496	MeIQx [ C11 H11 N5, overall=75.17, db=75.17, CAS ID=77500-04-0, KEGG ID=C19255, METLIN ID=72975 ]	77500-04-0		MeIQx +1.496	+	213.1018	1.496	75.17	C19255	(214.1083, 3576.9)(215.1071, 512.39)	FindByMolecularFeature	C11 H11 N5	2
MeIQx +4.1850004	MeIQx [ C11 H11 N5, overall=55.30, db=55.30, CAS ID=77500-04-0, KEGG ID=C19255, METLIN ID=72975 ]	77500-04-0		MeIQx +4.1850004	+	213.1016	4.1850004	55.3	C19255	(214.108, 2638.26)(215.1181, 675.01)	FindByMolecularFeature	C11 H11 N5	2
Melithiazole E	Melithiazole E [ C20 H26 N2 O4 S2, overall=45.13, db=45.13, KEGG ID=C15712, METLIN ID=71044 ]			Melithiazole E	+	444.1121	1.0445	45.13	C15712	(445.1194, 7354.93)(446.1214, 3226.46)(447.1165, 2996.98)	FindByMolecularFeature	C20 H26 N2 O4 S2	2
Mepanipyrim	Mepanipyrim [ C14 H13 N3, overall=66.05, db=66.05, CAS ID=110235-47-7, KEGG ID=C10919, METLIN ID=68688 ]	110235-47-7		Mepanipyrim	+	240.137	1.5109999	66.05	C10919	(241.1443, 3386.23)(242.1434, 755.35)(481.2768, 849.32)	FindByMolecularFeature	C14 H13 N3	2
Mescaline +7.1555	Mescaline [ C11 H17 N O3, overall=52.07, db=52.07, CAS ID=54-04-6, KEGG ID=C06546, METLIN ID=3346 ]	54-04-6		Mescaline +7.1555	+	211.1221	7.1555	52.07	C06546	(212.1294, 2746.7)(213.13, 847.11)	FindByMolecularFeature	C11 H17 N O3	2
Met Asn	Met Asn [ C9 H17 N3 O4 S, overall=49.08, db=49.08, METLIN ID=23857 ]			Met Asn	+	285.0784	6.1485	49.08		(286.0856, 4722.03)(287.0887, 922.15)	FindByMolecularFeature	C9 H17 N3 O4 S	2
Met Gln Gln	Met Gln Gln [ C15 H27 N5 O6 S, overall=60.21, db=60.21, METLIN ID=20239 ]			Met Gln Gln	+	405.1688	4.056	60.21		(406.1763, 3667.68)(407.1799, 1129.36)	FindByMolecularFeature	C15 H27 N5 O6 S	2
Met Lys Pro	Met Lys Pro [ C16 H30 N4 O4 S, overall=50.61, db=50.61, METLIN ID=20342 ]			Met Lys Pro	+	374.1955	1.596	50.61		(375.2025, 1776.63)(376.217, 722.18)(392.2303, 890.1)	FindByMolecularFeature	C16 H30 N4 O4 S	2
Metabutethamine	Metabutethamine [ C13 H20 N2 O2, overall=55.13, db=55.13, CAS ID=4439-25-2, KEGG ID=C17723, METLIN ID=71881 ]	4439-25-2		Metabutethamine	+	236.1535	6.2	55.13	C17723	(237.1608, 3995.2)(238.1648, 1011.85)(239.1492, 836.34)	FindByMolecularFeature	C13 H20 N2 O2	2
Metabutethamine +9.2465	Metabutethamine [ C13 H20 N2 O2, overall=82.56, db=82.56, CAS ID=4439-25-2, KEGG ID=C17723, METLIN ID=71881 ]	4439-25-2		Metabutethamine +9.2465	+	236.1528	9.2465	82.56	C17723	(237.1601, 20659.42)(238.1637, 3054.03)(239.1519, 1300.4)	FindByMolecularFeature	C13 H20 N2 O2	2
Metalaxyl +4.684	Metalaxyl [ C15 H21 N O4, overall=85.62, db=85.62, CAS ID=57837-19-1, KEGG ID=C10947, METLIN ID=68712 ]	57837-19-1		Metalaxyl +4.684	+	279.147	4.684	85.62	C10947	(280.1543, 12268.26)(281.1583, 2001.76)	FindByMolecularFeature	C15 H21 N O4	2
Metamitron +1.0929999	Metamitron [ C10 H10 N4 O, overall=63.79, db=63.79, CAS ID=41394-05-2, KEGG ID=C10930, METLIN ID=68697 ]	41394-05-2		Metamitron +1.0929999	+	202.0848	1.0929999	63.79	C10930	(203.0923, 4276.02)(204.0966, 1016.37)	FindByMolecularFeature	C10 H10 N4 O	2
Metamitron +1.813	Metamitron [ C10 H10 N4 O, overall=47.07, db=47.07, CAS ID=41394-05-2, KEGG ID=C10930, METLIN ID=68697 ]	41394-05-2		Metamitron +1.813	+	202.0853	1.813	47.07	C10930	(225.0753, 1128.14)(203.0924, 3590.53)	FindByMolecularFeature	C10 H10 N4 O	2
Meteloidine	Meteloidine [ C13 H21 N O4, overall=62.34, db=62.34, CAS ID=526-13-6, KEGG ID=C10861, METLIN ID=68637 ]	526-13-6		Meteloidine	+	255.1503	3.6305	62.34	C10861	(256.1561, 7037.63)(257.1613, 1357.3)	FindByMolecularFeature	C13 H21 N O4	2
Meteloidine +7.0105	Meteloidine [ C13 H21 N O4, overall=83.79, db=83.79, CAS ID=526-13-6, KEGG ID=C10861, METLIN ID=68637 ]	526-13-6		Meteloidine +7.0105	+	272.1734	7.0105	83.79	C10861	(273.1807, 3546.32)(274.1848, 616.94)	FindByMolecularFeature	C13 H21 N O4	2
Methionine	Methionine [ C5 H11 N O2 S, overall=82.43, db=82.43, CAS ID=59-51-8, KEGG ID=C01733, METLIN ID=65638 ]	59-51-8		Methionine	+	149.0514	6.0475	82.43	C01733	(150.0587, 7319.87)(151.0592, 560.75)(152.0502, 632.07)	FindByMolecularFeature	C5 H11 N O2 S	2
Methitural	Methitural [ C12 H20 N2 O2 S2, overall=97.01, db=97.01, CAS ID=467-43-6, KEGG ID=C07558, METLIN ID=66681 ]	467-43-6		Methitural	+	288.0967	4.435	97.01	C07558	(289.104, 37670.79)(290.1076, 5035.77)(291.1014, 3288.74)(292.1056, 573.38)	FindByMolecularFeature	C12 H20 N2 O2 S2	2
methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate	methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate [ C19 H32 O4, overall=71.42, db=71.42, Lipid ID=LMFA01040038, METLIN ID=74463 ]			methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate	+	324.2283	1.108	71.42		(325.2374, 1963.26)(342.2627, 3898.42)(343.2638, 918.38)	FindByMolecularFeature	C19 H32 O4	2		LMFA01040038
Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside +1.77	Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside [ C13 H24 O10, overall=66.13, db=66.13, KEGG ID=C04698, METLIN ID=66242 ]			Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside +1.77	+	357.1613	1.77	66.13	C04698	(358.1685, 5786.0)(359.1713, 986.86)(360.1761, 791.35)	FindByMolecularFeature	C13 H24 O10	2
Methyldopate +6.6475	Methyldopate [ C12 H17 N O4, overall=33.49, db=33.49, CAS ID=, METLIN ID=43257 ]			Methyldopate +6.6475	+	256.1423	6.6475	33.49		(257.1496, 3101.38)(258.1449, 1233.23)	FindByMolecularFeature	C12 H17 N O4	2
Methyldopate +6.8044996	Methyldopate [ C12 H17 N O4, overall=68.60, db=68.60, CAS ID=, METLIN ID=43257 ]			Methyldopate +6.8044996	+	239.1167	6.8044996	68.6		(240.124, 3962.69)(241.1268, 897.92)	FindByMolecularFeature	C12 H17 N O4	2
Methyl-L-NIO	Methyl-L-NIO [ C8 H17 N3 O2, overall=81.37, db=81.37, CAS ID=150403-96-6, METLIN ID=45238 ]	150403-96-6		Methyl-L-NIO	+	187.132	6.511	81.37		(188.1392, 6182.75)(189.1403, 755.07)	FindByMolecularFeature	C8 H17 N3 O2	2
Methylthiobenzoylglycine	Methylthiobenzoylglycine [ C9 H9 N O3 S, overall=97.73, db=97.73, CAS ID=, METLIN ID=2540 ]			Methylthiobenzoylglycine	+	211.0304	6.545	97.73		(212.0377, 17785.82)(213.0412, 2327.12)(214.0349, 924.92)	FindByMolecularFeature	C9 H9 N O3 S	2
Methylthiouracil	Methylthiouracil [ C5 H6 N2 O S, overall=86.24, db=86.24, CAS ID=56-04-2, KEGG ID=C19265, METLIN ID=44256 ]	56-04-2		Methylthiouracil	+	159.0467	7.7005	86.24	C19265	(160.054, 26232.21)(161.0595, 2069.85)(162.055, 1324.92)	FindByMolecularFeature	C5 H6 N2 O S	2
Metochlopramide	Metochlopramide [ C14 H22 Cl N3 O2, overall=69.54, db=69.54, CAS ID=364-62-5, KEGG ID=C07868, METLIN ID=1244 ]	364-62-5		Metochlopramide	+	316.1673	1.475	69.54	C07868	(317.1745, 10515.46)(318.1793, 2560.49)(319.1675, 2644.21)	FindByMolecularFeature	C14 H22 Cl N3 O2	2
MG(22:2(13Z,16Z)/0:0/0:0)	MG(22:2(13Z,16Z)/0:0/0:0) [ C25 H46 O4, overall=79.65, db=79.65, METLIN ID=62365, HMP ID=HMDB11583 ]			MG(22:2(13Z,16Z)/0:0/0:0)	+	427.3657	4.281	79.65		(428.3729, 4844.83)(429.3756, 1437.76)	FindByMolecularFeature	C25 H46 O4	2	HMDB11583
MID57897:(5E)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 3-oxide / (5E)-(3S)-1alpha,25-dihydr	MID57897:(5E)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 3-oxide / (5E)-(3S)-1alpha,25-dihydr [ C26 H42 O3 S, overall=61.36, db=61.36, Lipid ID=LMST03020050, METLIN ID=57897 ]			MID57897:(5E)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 3-oxide / (5E)-(3S)-1alpha,25-dihydr	+	451.311	1.84	61.36		(452.3183, 2517.12)(453.3221, 1047.89)	FindByMolecularFeature	C26 H42 O3 S	2		LMST03020050
Mikanin 3-O-sulfate	Mikanin 3-O-sulfate [ C18 H16 O10 S, overall=54.95, db=54.95, Lipid ID=LMPK12112884, METLIN ID=51296 ]			Mikanin 3-O-sulfate	+	424.0444	1.574	54.95		(425.0521, 2608.5)(426.0542, 803.87)	FindByMolecularFeature	C18 H16 O10 S	2		LMPK12112884
Militarinone B	Militarinone B [ C26 H33 N O5, overall=98.95, db=98.95, KEGG ID=C12334, METLIN ID=69434 ]			Militarinone B	+	456.262	4.205	98.95	C12334	(457.2692, 19124.49)(458.2723, 5495.89)(459.2756, 1136.81)	FindByMolecularFeature	C26 H33 N O5	2
Militarinone B +4.35	Militarinone B [ C26 H33 N O5, overall=79.16, db=79.16, KEGG ID=C12334, METLIN ID=69434 ]			Militarinone B +4.35	+	456.2617	4.35	79.16	C12334	(457.269, 9175.26)(458.2729, 2306.0)	FindByMolecularFeature	C26 H33 N O5	2
Mitragynine +1.375	Mitragynine [ C23 H30 N2 O4, overall=85.10, db=85.10, CAS ID=4098-40-2, KEGG ID=C09226, METLIN ID=67533 ]	4098-40-2		Mitragynine +1.375	+	398.2208	1.375	85.1	C09226	(399.2281, 8226.36)(400.2309, 2305.78)(401.2269, 758.36)	FindByMolecularFeature	C23 H30 N2 O4	2
Monocerin	Monocerin [ C16 H20 O6, overall=79.14, db=79.14, CAS ID=30270-60-1, KEGG ID=C09953, METLIN ID=68040 ]	30270-60-1		Monocerin	+	308.1266	1.168	79.14	C09953	(309.134, 5707.19)(310.138, 1219.97)	FindByMolecularFeature	C16 H20 O6	2
Monocrotaline +4.806	Monocrotaline [ C16 H23 N O6, overall=71.30, db=71.30, CAS ID=315-22-0, KEGG ID=C10350, METLIN ID=44128 ]	315-22-0		Monocrotaline +4.806	+	325.1538	4.806	71.3	C10350	(326.1611, 5157.34)(327.1639, 1292.78)	FindByMolecularFeature	C16 H23 N O6	2
Monocyclic botryococcane	Monocyclic botryococcane [ C34 H68, overall=71.79, db=71.79, METLIN ID=53759 ]			Monocyclic botryococcane	+	493.5579	3.6145	71.79		(494.5652, 2174.56)(495.5677, 916.15)	FindByMolecularFeature	C34 H68	2
Monoethyl phthalate	Monoethyl phthalate [ C10 H10 O4, overall=31.10, db=31.10, CAS ID=2306-33-4, METLIN ID=58098, HMP ID=HMDB02120 ]	2306-33-4		Monoethyl phthalate	+	194.0599	1.395	31.1		(195.0672, 3347.1)(212.0938, 874.62)(389.1228, 862.97)	FindByMolecularFeature	C10 H10 O4	2	HMDB02120
MRE-269 +1.3205	MRE-269 [ C25 H29 N3 O3, overall=68.56, db=68.56, CAS ID=475085-57-5, METLIN ID=64702 ]	475085-57-5		MRE-269 +1.3205	+	441.2034	1.3205	68.56		(442.2107, 2331.48)(443.2152, 867.81)	FindByMolecularFeature	C25 H29 N3 O3	2
Mucronine B	Mucronine B [ C28 H36 N4 O4, overall=69.19, db=69.19, CAS ID=38840-26-5, KEGG ID=C10010, METLIN ID=68089 ]	38840-26-5		Mucronine B	+	492.2733	5.7215004	69.19	C10010	(493.2807, 6382.44)(494.2843, 2694.76)	FindByMolecularFeature	C28 H36 N4 O4	2
Multiflorine	Multiflorine [ C15 H22 N2 O, overall=54.66, db=54.66, CAS ID=529-80-6, KEGG ID=C10775, METLIN ID=68568 ]	529-80-6		Multiflorine	+	246.1728	1.4305	54.66	C10775	(247.1802, 2619.57)(248.1808, 843.36)	FindByMolecularFeature	C15 H22 N2 O	2
Muscimol +5.5670004	Muscimol [ C4 H6 N2 O2, overall=57.88, db=57.88, CAS ID=2763-96-4, KEGG ID=C08311, METLIN ID=66902 ]	2763-96-4		Muscimol +5.5670004	+	114.0427	5.5670004	57.88	C08311	(137.0321, 727.94)(115.05, 4517.93)(116.0535, 1093.3)	FindByMolecularFeature	C4 H6 N2 O2	2
Musk xylene	Musk xylene [ C12 H15 N3 O6, overall=76.59, db=76.59, CAS ID=81-15-2, KEGG ID=C19462, METLIN ID=73156 ]	81-15-2		Musk xylene	+	157.0618	7.6415	76.59	C19462	(158.0693, 30774.19)(315.1306, 31590.99)(316.1338, 5677.6)(317.1283, 3197.95)	FindByMolecularFeature	C12 H15 N3 O6	2
Mycolipenic acid (C25)	Mycolipenic acid (C25) [ C25 H48 O2, overall=57.15, db=57.15, Lipid ID=LMFA01020336, METLIN ID=73748 ]			Mycolipenic acid (C25)	+	402.3453	1.157	57.15		(403.3526, 3755.37)(404.3538, 1265.92)	FindByMolecularFeature	C25 H48 O2	2		LMFA01020336
Mycophenolate mofetil	Mycophenolate mofetil [ C23 H31 N O7, overall=96.53, db=96.53, CAS ID=128794-94-5, KEGG ID=C07908, METLIN ID=66764 ]	128794-94-5		Mycophenolate mofetil	+	433.2093	5.149	96.53	C07908	(434.2165, 12669.41)(435.2199, 2991.14)(436.2238, 761.19)	FindByMolecularFeature	C23 H31 N O7	2
N-(3,4-Dichlorophenyl)-malonamate	N-(3,4-Dichlorophenyl)-malonamate [ C9 H7 Cl2 N O3, overall=57.71, db=57.71, KEGG ID=C04205, METLIN ID=66136 ]			N-(3,4-Dichlorophenyl)-malonamate	+	264.0084	7.2530003	57.71	C04205	(265.0157, 3214.65)(266.0175, 1461.95)(267.0146, 1194.2)	FindByMolecularFeature	C9 H7 Cl2 N O3	2
N-(3-Indolylacetyl)-L-isoleucine	N-(3-Indolylacetyl)-L-isoleucine [ C16 H20 N2 O3, overall=54.73, db=54.73, CAS ID=57105-45-0, METLIN ID=34533 ]	57105-45-0		N-(3-Indolylacetyl)-L-isoleucine	+	288.1473	1.4289999	54.73		(289.1546, 3147.41)(290.1598, 1302.47)	FindByMolecularFeature	C16 H20 N2 O3	2
N-(3S-hydroxy-butanoyl)-homoserine lactone	N-(3S-hydroxy-butanoyl)-homoserine lactone [ C8 H13 N O4, overall=42.65, db=42.65, KEGG ID=C11842, METLIN ID=36735 ]			N-(3S-hydroxy-butanoyl)-homoserine lactone	+	187.0852	6.0655003	42.65	C11842	(188.0925, 3244.13)(189.0884, 1245.28)	FindByMolecularFeature	C8 H13 N O4	2
N(6)-(Octanoyl)lysine	N(6)-(Octanoyl)lysine [ C14 H28 N2 O3, overall=79.45, db=79.45, METLIN ID=62422, HMP ID=HMDB11684 ]			N(6)-(Octanoyl)lysine	+	272.21	6.818	79.45		(273.2173, 8272.91)(274.2198, 1789.85)	FindByMolecularFeature	C14 H28 N2 O3	2	HMDB11684
N(alpha)-Benzyloxycarbonyl-L-leucine +6.272	N(alpha)-Benzyloxycarbonyl-L-leucine [ C14 H19 N O4, overall=84.49, db=84.49, CAS ID=2018-66-8, KEGG ID=C04335, METLIN ID=66165 ]	2018-66-8		N(alpha)-Benzyloxycarbonyl-L-leucine +6.272	+	265.1316	6.272	84.49	C04335	(266.1389, 5925.72)(267.1432, 955.53)	FindByMolecularFeature	C14 H19 N O4	2
N(alpha)-Benzyloxycarbonyl-L-leucine +6.9075003	N(alpha)-Benzyloxycarbonyl-L-leucine [ C14 H19 N O4, overall=97.19, db=97.19, CAS ID=2018-66-8, KEGG ID=C04335, METLIN ID=66165 ]	2018-66-8		N(alpha)-Benzyloxycarbonyl-L-leucine +6.9075003	+	265.1316	6.9075003	97.19	C04335	(266.1389, 26981.67)(267.1431, 4037.5)(268.1426, 886.28)	FindByMolecularFeature	C14 H19 N O4	2
N,N-Diethylphenylacetamide +6.5725	N,N-Diethylphenylacetamide [ C12 H17 N O, overall=54.63, db=54.63, CAS ID=2431-96-1, KEGG ID=C10938, METLIN ID=68704 ]	2431-96-1		N,N-Diethylphenylacetamide +6.5725	+	213.1111	6.5725	54.63	C10938	(214.1184, 3530.73)(215.1268, 907.12)	FindByMolecularFeature	C12 H17 N O	2
N,N-dimethylhistidine	N,N-dimethylhistidine [ C8 H13 N3 O2, overall=32.51, db=32.51, CAS ID=24940-57-6, KEGG ID=C04259, METLIN ID=44783 ]	24940-57-6		N,N-dimethylhistidine	+	183.0993	6.058	32.51	C04259	(184.1065, 3468.94)(185.1002, 987.57)(186.1129, 1196.7)	FindByMolecularFeature	C8 H13 N3 O2	2
N,O-Didesmethylvenlafaxine	N,O-Didesmethylvenlafaxine [ C15 H23 N O2, overall=78.34, db=78.34, CAS ID=135308-74-6, METLIN ID=3007 ]	135308-74-6		N,O-Didesmethylvenlafaxine	+	249.1736	5.6445	78.34		(250.1808, 5192.79)(251.1842, 1160.26)	FindByMolecularFeature	C15 H23 N O2	2
N,O-Didesmethylvenlafaxine +4.611	N,O-Didesmethylvenlafaxine [ C15 H23 N O2, overall=97.06, db=97.06, CAS ID=135308-74-6, METLIN ID=3007 ]	135308-74-6		N,O-Didesmethylvenlafaxine +4.611	+	249.1732	4.611	97.06		(250.1804, 28699.4)(251.1838, 5698.89)(252.1892, 743.97)	FindByMolecularFeature	C15 H23 N O2	2
N,O-Didesmethylverapamil	N,O-Didesmethylverapamil [ C25 H34 N2 O4, overall=99.04, db=99.04, CAS ID=71539-09-8, METLIN ID=3013 ]	71539-09-8		N,O-Didesmethylverapamil	+	426.2518	4.0205	99.04		(427.259, 15037.12)(428.2627, 4010.59)(429.2655, 802.05)	FindByMolecularFeature	C25 H34 N2 O4	2
N6-Methyl-2'-deoxyadenosine	N6-Methyl-2'-deoxyadenosine [ C11 H15 N5 O3, overall=60.39, db=60.39, CAS ID=2002-35-9, KEGG ID=C03795, METLIN ID=66047 ]	2002-35-9		N6-Methyl-2'-deoxyadenosine	+	265.1174	2.6645	60.39	C03795	(266.1251, 3032.79)(267.1298, 777.61)	FindByMolecularFeature	C11 H15 N5 O3	2
N-a-Acetylcitrulline	N-a-Acetylcitrulline [ C8 H15 N3 O4, overall=61.00, db=61.00, CAS ID=33965-42-3, KEGG ID=C15532, METLIN ID=5819, HMP ID=HMDB00856 ]	33965-42-3		N-a-Acetylcitrulline	+	217.1059	6.0605	61	C15532	(218.1132, 2466.12)(219.1127, 609.8)(220.1183, 1255.39)	FindByMolecularFeature	C8 H15 N3 O4	2	HMDB00856
N-Acetyl-aspartyl-glutamate	N-Acetyl-aspartyl-glutamate [ C11 H16 N2 O8, overall=62.53, db=62.53, CAS ID=3106-85-2, KEGG ID=C12270, METLIN ID=69407 ]	3106-85-2		N-Acetyl-aspartyl-glutamate	+	304.0917	5.865	62.53	C12270	(305.0993, 4213.3)(306.1012, 995.13)	FindByMolecularFeature	C11 H16 N2 O8	2
N-Acetylimidazole +3.9645	N-Acetylimidazole [ C5 H6 N2 O, overall=45.64, db=45.64, CAS ID=2466-76-4, KEGG ID=C02560, METLIN ID=65788 ]	2466-76-4		N-Acetylimidazole +3.9645	+	110.0481	3.9645	45.64	C02560	(111.0561, 4166.51)(128.0813, 6038.6)	FindByMolecularFeature	C5 H6 N2 O	2
N-Acetylimidazole +7.701	N-Acetylimidazole [ C5 H6 N2 O, overall=80.76, db=80.76, CAS ID=2466-76-4, KEGG ID=C02560, METLIN ID=65788 ]	2466-76-4		N-Acetylimidazole +7.701	+	127.0741	7.701	80.76	C02560	(128.0814, 8898.31)(129.0832, 927.23)	FindByMolecularFeature	C5 H6 N2 O	2
N-Acetyl-p-benzoquinonimine	N-Acetyl-p-benzoquinonimine [ C8 H7 N O2, overall=85.82, db=85.82, CAS ID=50700-49-7, METLIN ID=578 ]	50700-49-7		N-Acetyl-p-benzoquinonimine	+	149.0478	2.1275	85.82		(150.0551, 19641.77)(151.0588, 2136.92)	FindByMolecularFeature	C8 H7 N O2	2
N-Acetylserine	N-Acetylserine [ C5 H9 N O4, overall=57.31, db=57.31, CAS ID=16354-58-8, METLIN ID=308, HMP ID=HMDB02931 ]	16354-58-8		N-Acetylserine	+	164.0787	7.664	57.31		(165.0862, 7365.09)(166.0853, 999.46)(329.1641, 5752.08)(330.1656, 1324.71)	FindByMolecularFeature	C5 H9 N O4	2	HMDB02931
Naloxol	Naloxol [ C19 H23 N O4, overall=61.09, db=61.09, CAS ID=58691-01-3, METLIN ID=1419 ]	58691-01-3		Naloxol	+	346.1894	1.625	61.09		(347.1972, 1900.54)(348.1979, 667.01)	FindByMolecularFeature	C19 H23 N O4	2
Nap-Nap-OH	Nap-Nap-OH [ C31 H24 N2 O6, overall=73.25, db=73.25, METLIN ID=65337 ]			Nap-Nap-OH	+	520.1624	3.928	73.25		(521.1692, 4575.36)(522.1724, 1522.16)	FindByMolecularFeature	C31 H24 N2 O6	2
Nap-Nap-OH +3.0275002	Nap-Nap-OH [ C31 H24 N2 O6, overall=58.39, db=58.39, METLIN ID=65337 ]			Nap-Nap-OH +3.0275002	+	520.1666	3.0275002	58.39		(543.1551, 1601.19)(521.1741, 4821.13)(522.1775, 1393.26)	FindByMolecularFeature	C31 H24 N2 O6	2
N-Benzylformamide	N-Benzylformamide [ C8 H9 N O, overall=81.62, db=81.62, CAS ID=6343-54-0, KEGG ID=C15561, METLIN ID=70966 ]	6343-54-0		N-Benzylformamide	+	135.0682	4.9185	81.62	C15561	(136.0755, 6456.48)(137.0782, 865.76)	FindByMolecularFeature	C8 H9 N O	2
N-Benzyloxycarbonylglycine	N-Benzyloxycarbonylglycine [ C10 H11 N O4, overall=78.28, db=78.28, CAS ID=1138-80-3, KEGG ID=C03710, METLIN ID=66027 ]	1138-80-3		N-Benzyloxycarbonylglycine	+	209.0691	4.0155	78.28	C03710	(210.0764, 5406.88)(211.0814, 787.29)	FindByMolecularFeature	C10 H11 N O4	2
N-Butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine	N-Butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ C9 H13 N5, overall=45.53, db=45.53, KEGG ID=C15344, METLIN ID=70817 ]			N-Butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine	+	191.1187	4.2955	45.53	C15344	(214.1102, 1303.32)(192.126, 2831.27)(193.1297, 749.23)	FindByMolecularFeature	C9 H13 N5	2
N-Cyclohexylformamide +5.6095	N-Cyclohexylformamide [ C7 H13 N O, overall=86.86, db=86.86, CAS ID=766-93-8, KEGG ID=C11519, METLIN ID=69087 ]	766-93-8		N-Cyclohexylformamide +5.6095	+	127.1	5.6095	86.86	C11519	(128.1081, 6449.39)(145.1335, 16538.3)(146.1358, 1565.53)	FindByMolecularFeature	C7 H13 N O	2
N-Desmethylclobazam	N-Desmethylclobazam [ C15 H11 Cl N2 O2, overall=70.77, db=70.77, CAS ID=22316-55-8, METLIN ID=1864 ]	22316-55-8		N-Desmethylclobazam	+	303.0776	2.0939999	70.77		(304.085, 11834.64)(305.0886, 1746.67)(306.083, 972.42)	FindByMolecularFeature	C15 H11 Cl N2 O2	2
N-Desmethylnefopam glucuronide	N-Desmethylnefopam glucuronide [ C22 H25 N O7, overall=57.99, db=57.99, CAS ID=, METLIN ID=1485 ]			N-Desmethylnefopam glucuronide	+	432.1893	2.82	57.99		(433.1966, 2524.15)(434.2021, 1091.97)	FindByMolecularFeature	C22 H25 N O7	2
Nefopam	Nefopam [ C17 H19 N O, overall=70.54, db=70.54, CAS ID=13669-70-0, METLIN ID=1482 ]	13669-70-0		Nefopam	+	253.1474	1.084	70.54		(254.1547, 11914.08)(255.16, 2893.99)	FindByMolecularFeature	C17 H19 N O	2
Nerol	Nerol [ C10 H18 O, overall=36.77, db=36.77, CAS ID=106-25-2, KEGG ID=C09871, METLIN ID=41105, HMP ID=HMDB05812 ]	106-25-2		Nerol	+	154.1351	1.173	36.77	C09871	(155.1421, 769.33)(326.3039, 1744.26)	FindByMolecularFeature	C10 H18 O	2	HMDB05812
Neurodazine +1.8585	Neurodazine [ C27 H21 Cl N2 O3, overall=51.31, db=51.31, CAS ID=937807-66-4, METLIN ID=64807 ]	937807-66-4		Neurodazine +1.8585	+	456.1228	1.8585	51.31		(457.1305, 3614.15)(458.1315, 1314.81)	FindByMolecularFeature	C27 H21 Cl N2 O3	2
Neurodazine +6.0594997	Neurodazine [ C27 H21 Cl N2 O3, overall=61.83, db=61.83, CAS ID=937807-66-4, METLIN ID=64807 ]	937807-66-4		Neurodazine +6.0594997	+	473.1501	6.0594997	61.83		(474.1574, 4281.32)(475.1617, 823.04)(476.1683, 770.03)	FindByMolecularFeature	C27 H21 Cl N2 O3	2
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine	N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine [ C7 H10 N4 O, overall=45.79, db=45.79, KEGG ID=C19872, METLIN ID=73404 ]			N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine	+	166.0857	2.4320002	45.79	C19872	(189.0762, 2311.26)(167.0924, 3465.92)(168.0999, 1134.46)	FindByMolecularFeature	C7 H10 N4 O	2
Ngamma-Nitro-L-arginine	Ngamma-Nitro-L-arginine [ C6 H13 N5 O4, overall=56.08, db=56.08, KEGG ID=C03417, METLIN ID=65976 ]			Ngamma-Nitro-L-arginine	+	241.0782	1.3199999	56.08	C03417	(242.0851, 4092.69)(243.0891, 1003.19)	FindByMolecularFeature	C6 H13 N5 O4	2
NH-DVal(NMe)-Val-OMe	NH-DVal(NMe)-Val-OMe [ C12 H24 N2 O3, overall=64.74, db=64.74, METLIN ID=65477 ]			NH-DVal(NMe)-Val-OMe	+	244.1788	5.7695	64.74		(245.186, 5021.69)(246.1874, 1252.55)	FindByMolecularFeature	C12 H24 N2 O3	2
N-heptanoyl-homoserine lactone +1.4219999	N-heptanoyl-homoserine lactone [ C11 H19 N O3, overall=80.92, db=80.92, CAS ID=177158-20-2, KEGG ID=C11844, METLIN ID=36736 ]	177158-20-2		N-heptanoyl-homoserine lactone +1.4219999	+	213.1371	1.4219999	80.92	C11844	(236.129, 589.55)(214.1443, 28697.18)(215.1486, 4415.86)	FindByMolecularFeature	C11 H19 N O3	2
N-Hydroxy-L-phenylalanine	N-Hydroxy-L-phenylalanine [ C9 H11 N O3, overall=39.34, db=39.34, KEGG ID=C19712, METLIN ID=73312 ]			N-Hydroxy-L-phenylalanine	+	181.0746	6.567	39.34	C19712	(182.0819, 3474.55)(183.0848, 742.43)(184.0712, 1022.79)	FindByMolecularFeature	C9 H11 N O3	2
N-Hydroxy-L-phenylalanine +1.676	N-Hydroxy-L-phenylalanine [ C9 H11 N O3, overall=26.78, db=26.78, KEGG ID=C19712, METLIN ID=73312 ]			N-Hydroxy-L-phenylalanine +1.676	+	181.0749	1.676	26.78	C19712	(182.0816, 3820.75)(183.0916, 1625.37)	FindByMolecularFeature	C9 H11 N O3	2
N-Hydroxy-L-phenylalanine +2.5025	N-Hydroxy-L-phenylalanine [ C9 H11 N O3, overall=43.54, db=43.54, KEGG ID=C19712, METLIN ID=73312 ]			N-Hydroxy-L-phenylalanine +2.5025	+	198.1011	2.5025	43.54	C19712	(199.1084, 5932.25)(200.1213, 1118.76)	FindByMolecularFeature	C9 H11 N O3	2
N-Hydroxypentobarbital	N-Hydroxypentobarbital [ C11 H18 N2 O4, overall=78.11, db=78.11, CAS ID=62298-51-5, METLIN ID=1765 ]	62298-51-5		N-Hydroxypentobarbital	+	242.1267	7.2825	78.11		(243.134, 8120.33)(244.1377, 1521.9)	FindByMolecularFeature	C11 H18 N2 O4	2
Nicotinamide riboside	Nicotinamide riboside [ C11 H15 N2 O5, overall=60.28, db=60.28, CAS ID=1341-23-7, KEGG ID=C03150, METLIN ID=5818, HMP ID=HMDB00855 ]	1341-23-7		Nicotinamide riboside	+	254.0909	1.4165001	60.28	C03150	(277.08, 744.76)(255.098, 7532.09)(256.1056, 1530.68)	FindByMolecularFeature	C11 H15 N2 O5	2	HMDB00855
Nicotinamide riboside +1.4165001	Nicotinamide riboside [ C11 H15 N2 O5, overall=89.61, db=89.61, CAS ID=1341-23-7, KEGG ID=C03150, METLIN ID=5818, HMP ID=HMDB00855 ]	1341-23-7		Nicotinamide riboside +1.4165001	+	237.064	1.4165001	89.61	C03150	(238.0717, 1468.6)(255.0982, 14454.11)(256.1023, 1346.76)(257.1055, 553.74)	FindByMolecularFeature	C11 H15 N2 O5	2	HMDB00855
Niguldipine	Niguldipine [ C36 H39 N3 O6, overall=48.77, db=48.77, CAS ID=102993-22-6, KEGG ID=C11236, METLIN ID=68934 ]	102993-22-6		Niguldipine	+	609.2813	1.337	48.77	C11236	(610.2886, 1877.88)(611.2895, 926.48)	FindByMolecularFeature	C36 H39 N3 O6	2
N-isovalerylglycine +1.7674999	N-isovalerylglycine [ C7 H13 N O3, overall=52.99, db=52.99, CAS ID=16284-60-9, METLIN ID=4128 ]	16284-60-9		N-isovalerylglycine +1.7674999	+	159.0899	1.7674999	52.99		(160.0971, 3573.25)(161.1023, 867.56)	FindByMolecularFeature	C7 H13 N O3	2
N-isovalerylglycine +5.842	N-isovalerylglycine [ C7 H13 N O3, overall=50.70, db=50.70, CAS ID=16284-60-9, METLIN ID=4128 ]	16284-60-9		N-isovalerylglycine +5.842	+	159.0909	5.842	50.7		(160.0982, 3348.34)(161.0971, 804.19)	FindByMolecularFeature	C7 H13 N O3	2
Nitramine	Nitramine [ C10 H19 N O, overall=70.23, db=70.23, CAS ID=49620-06-6, KEGG ID=C10163, METLIN ID=68167 ]	49620-06-6		Nitramine	+	169.1467	1.1445	70.23	C10163	(170.154, 4733.66)(171.1604, 794.1)	FindByMolecularFeature	C10 H19 N O	2
N-Methyl-4-(3,4-dimethoxyphenyl)-4-cyano-5-methylhexylamine	N-Methyl-4-(3,4-dimethoxyphenyl)-4-cyano-5-methylhexylamine [ C17 H26 N2 O2, overall=97.02, db=97.02, CAS ID=34245-14-2, METLIN ID=3015 ]	34245-14-2		N-Methyl-4-(3,4-dimethoxyphenyl)-4-cyano-5-methylhexylamine	+	290.1995	4.407	97.02		(291.2068, 33026.36)(292.2103, 5560.54)(293.2102, 1090.05)	FindByMolecularFeature	C17 H26 N2 O2	2
N-Methyltyramine	N-Methyltyramine [ C9 H13 N O, overall=70.67, db=70.67, CAS ID=370-98-9, KEGG ID=C02442, METLIN ID=58167, HMP ID=HMDB03633 ]	370-98-9		N-Methyltyramine	+	151.1	3.0815	70.67	C02442	(152.1072, 17387.74)(153.1081, 2898.07)	FindByMolecularFeature	C9 H13 N O	2	HMDB03633
N-Monomethyl-2-aminoethylphosphonate	N-Monomethyl-2-aminoethylphosphonate [ C3 H10 N O3 P, overall=44.87, db=44.87, CAS ID=, KEGG ID=C05679, METLIN ID=63593 ]			N-Monomethyl-2-aminoethylphosphonate	+	156.0651	3.1065001	44.87	C05679	(157.0724, 3715.04)(158.0835, 1253.44)(313.1398, 627.81)	FindByMolecularFeature	C3 H10 N O3 P	2
N-Nitrosodi-n-propylamine	N-Nitrosodi-n-propylamine [ C6 H14 N2 O, overall=86.35, db=86.35, CAS ID=621-64-7, KEGG ID=C19279, METLIN ID=72997 ]	621-64-7		N-Nitrosodi-n-propylamine	+	130.1103	6.4685	86.35	C19279	(153.1004, 1334.65)(131.1176, 75657.18)(132.1207, 6868.36)	FindByMolecularFeature	C6 H14 N2 O	2
N-nonanoyl-L-Homoserine lactone	N-nonanoyl-L-Homoserine lactone [ C13 H23 N O3, overall=86.56, db=86.56, CAS ID=177158-21-3, METLIN ID=45725 ]	177158-21-3		N-nonanoyl-L-Homoserine lactone	+	258.1943	8.153	86.56		(259.2018, 8175.84)(260.2053, 1241.95)	FindByMolecularFeature	C13 H23 N O3	2
Nonanoyl-CoA	Nonanoyl-CoA [ C30 H52 N7 O17 P3 S, overall=64.20, db=64.20, KEGG ID=C01942, METLIN ID=65683 ]			Nonanoyl-CoA	+	924.2622	1.0120001	64.2	C01942	(925.2695, 3285.7)(926.269, 2824.18)(927.2686, 1769.68)	FindByMolecularFeature	C30 H52 N7 O17 P3 S	2
Nonanoyl-CoA +1.014	Nonanoyl-CoA [ C30 H52 N7 O17 P3 S, overall=41.61, db=41.61, KEGG ID=C01942, METLIN ID=65683 ]			Nonanoyl-CoA +1.014	+	907.2401	1.014	41.61	C01942	(908.2474, 7927.59)(909.2447, 6341.91)(910.2372, 6574.15)(911.2332, 3578.31)(912.2287, 2503.62)	FindByMolecularFeature	C30 H52 N7 O17 P3 S	2
Nonate	Nonate [ C9 H16 O4, overall=46.28, db=46.28, METLIN ID=62450, HMP ID=HMDB11717 ]			Nonate	+	188.1056	1.1775	46.28		(189.1135, 1118.01)(206.1392, 3681.22)	FindByMolecularFeature	C9 H16 O4	2	HMDB11717
Normeperidinic acid glucuronide	Normeperidinic acid glucuronide [ C18 H23 N O8, overall=64.89, db=64.89, CAS ID=71177-39-4, METLIN ID=1134 ]	71177-39-4		Normeperidinic acid glucuronide	+	381.1432	2.7554998	64.89		(382.1505, 2820.06)(383.1508, 834.92)	FindByMolecularFeature	C18 H23 N O8	2
Noroxymorphone	Noroxymorphone [ C16 H17 N O4, overall=84.36, db=84.36, CAS ID=33522-95-1, METLIN ID=1424 ]	33522-95-1		Noroxymorphone	+	304.1426	2.1595001	84.36		(305.1499, 8632.25)(306.1527, 1758.53)	FindByMolecularFeature	C16 H17 N O4	2
Noroxymorphone +2.2745	Noroxymorphone [ C16 H17 N O4, overall=81.40, db=81.40, CAS ID=33522-95-1, METLIN ID=1424 ]	33522-95-1		Noroxymorphone +2.2745	+	304.1432	2.2745	81.4		(305.1503, 4814.33)(306.1524, 1017.27)	FindByMolecularFeature	C16 H17 N O4	2
N-palmitoyl phenylalanine	N-palmitoyl phenylalanine [ C25 H41 N O3, overall=53.00, db=53.00, Lipid ID=LMFA08020091, METLIN ID=75473 ]			N-palmitoyl phenylalanine	+	403.3165	1.1535001	53		(404.3194, 2232.43)(405.3134, 1009.42)	FindByMolecularFeature	C25 H41 N O3	2		LMFA08020091
N-undecanoyl-L-Homoserine lactone	N-undecanoyl-L-Homoserine lactone [ C15 H27 N O3, overall=99.30, db=99.30, CAS ID=216596-71-3, METLIN ID=45719 ]	216596-71-3		N-undecanoyl-L-Homoserine lactone	+	286.2257	6.5895	99.3		(287.233, 42263.36)(288.2365, 7912.53)(289.2385, 1015.17)	FindByMolecularFeature	C15 H27 N O3	2
O-?-D-Xylosylzeatin	O-?-D-Xylosylzeatin [ C15 H21 N5 O5, overall=79.01, db=79.01, CAS ID=, KEGG ID=C03300, METLIN ID=64089 ]			O-?-D-Xylosylzeatin	+	351.1539	6.059	79.01	C03300	(352.1612, 7074.75)(353.1659, 1542.63)	FindByMolecularFeature	C15 H21 N5 O5	2
O-Acetylhomoserine	O-Acetylhomoserine [ C6 H11 N O4, overall=63.68, db=63.68, CAS ID=7540-67-2, KEGG ID=C01077, METLIN ID=3282 ]	7540-67-2		O-Acetylhomoserine	+	161.0701	2.9745	63.68	C01077	(184.0611, 1356.19)(162.0768, 1909.23)(163.0766, 286.2)	FindByMolecularFeature	C6 H11 N O4	2
O-Acetylhomoserine +2.481	O-Acetylhomoserine [ C6 H11 N O4, overall=55.05, db=55.05, CAS ID=7540-67-2, KEGG ID=C01077, METLIN ID=3282 ]	7540-67-2		O-Acetylhomoserine +2.481	+	161.0693	2.481	55.05	C01077	(184.0603, 1407.26)(162.0764, 2982.44)(163.0777, 788.17)	FindByMolecularFeature	C6 H11 N O4	2
Obtusilic acid +1.143	Obtusilic acid [ C10 H18 O2, overall=23.83, db=23.83, Lipid ID=LMFA01030031, METLIN ID=34721 ]			Obtusilic acid +1.143	+	170.1288	1.143	23.83		(171.1355, 2223.95)(358.2934, 726.18)(341.2677, 1335.72)	FindByMolecularFeature	C10 H18 O2	2		LMFA01030031
Octylamine	Octylamine [ C8 H19 N, overall=99.45, db=99.45, CAS ID=111-86-4, KEGG ID=C01740, METLIN ID=65641 ]	111-86-4		Octylamine	+	129.1517	4.1955	99.45	C01740	(130.159, 54764.27)(131.1624, 5177.08)(132.1641, 747.59)	FindByMolecularFeature	C8 H19 N	2
O-Desmethylvenlafaxine	O-Desmethylvenlafaxine [ C16 H25 N O2, overall=93.09, db=93.09, CAS ID=93413-62-8, METLIN ID=3006 ]	93413-62-8		O-Desmethylvenlafaxine	+	263.1887	4.612	93.09		(264.1958, 22291.63)(265.1999, 4845.45)(266.1952, 710.88)	FindByMolecularFeature	C16 H25 N O2	2
O-Desmethylverapamil	O-Desmethylverapamil [ C26 H36 N2 O4, overall=96.99, db=96.99, CAS ID=67018-80-8, METLIN ID=3012 ]	67018-80-8		O-Desmethylverapamil	+	440.2674	4.016	96.99		(441.2747, 38893.13)(442.2778, 10954.25)(443.2768, 2291.55)	FindByMolecularFeature	C26 H36 N2 O4	2
Okadaic acid	Okadaic acid [ C44 H68 O13, overall=55.42, db=55.42, CAS ID=78111-17-8, KEGG ID=C01945, METLIN ID=65684 ]	78111-17-8		Okadaic acid	+	826.4512	1.1035	55.42	C01945	(827.4584, 6036.1)(828.4623, 2648.65)	FindByMolecularFeature	C44 H68 O13	2
Olanzapine	Olanzapine [ C17 H20 N4 S, overall=69.84, db=69.84, CAS ID=132539-06-1, KEGG ID=C07322, METLIN ID=58286, HMP ID=HMDB05012 ]	132539-06-1		Olanzapine	+	334.1239	3.552	69.84	C07322	(335.1311, 7372.46)(336.1349, 1164.58)	FindByMolecularFeature	C17 H20 N4 S	2	HMDB05012
Olanzapine +3.5809999	Olanzapine [ C17 H20 N4 S, overall=60.56, db=60.56, CAS ID=132539-06-1, KEGG ID=C07322, METLIN ID=58286, HMP ID=HMDB05012 ]	132539-06-1		Olanzapine +3.5809999	+	312.1422	3.5809999	60.56	C07322	(335.1318, 6883.29)(336.1357, 928.02)(313.1496, 1258.83)(330.1757, 1720.07)	FindByMolecularFeature	C17 H20 N4 S	2	HMDB05012
Olanzapine +4.1235	Olanzapine [ C17 H20 N4 S, overall=68.71, db=68.71, CAS ID=132539-06-1, KEGG ID=C07322, METLIN ID=58286, HMP ID=HMDB05012 ]	132539-06-1		Olanzapine +4.1235	+	334.1238	4.1235	68.71	C07322	(335.131, 8578.74)(336.1346, 1191.35)	FindByMolecularFeature	C17 H20 N4 S	2	HMDB05012
Olanzapine +4.27	Olanzapine [ C17 H20 N4 S, overall=72.61, db=72.61, CAS ID=132539-06-1, KEGG ID=C07322, METLIN ID=58286, HMP ID=HMDB05012 ]	132539-06-1		Olanzapine +4.27	+	312.1419	4.27	72.61	C07322	(335.1313, 6256.15)(336.1345, 1194.68)(337.142, 610.41)(313.1498, 1653.63)	FindByMolecularFeature	C17 H20 N4 S	2	HMDB05012
Olomoucine	Olomoucine [ C15 H18 N6 O, overall=79.28, db=79.28, CAS ID=101622-51-9, METLIN ID=45229 ]	101622-51-9		Olomoucine	+	298.1531	6.892	79.28		(299.1603, 4725.7)(300.163, 1038.56)	FindByMolecularFeature	C15 H18 N6 O	2
Omeprazole sulfide	Omeprazole sulfide [ C17 H19 N3 O2 S, overall=70.31, db=70.31, CAS ID=73590-85-9, METLIN ID=1635 ]	73590-85-9		Omeprazole sulfide	+	329.1191	1.4790001	70.31		(330.1264, 5932.7)(331.1338, 1639.4)(332.1257, 1165.57)	FindByMolecularFeature	C17 H19 N3 O2 S	2
Omeprazole sulfide +1.5044999	Omeprazole sulfide [ C17 H19 N3 O2 S, overall=87.97, db=87.97, CAS ID=73590-85-9, METLIN ID=1635 ]	73590-85-9		Omeprazole sulfide +1.5044999	+	351.1012	1.5044999	87.97		(352.1085, 11900.38)(353.1142, 3100.99)(354.108, 999.21)	FindByMolecularFeature	C17 H19 N3 O2 S	2
Ornaline	Ornaline [ C10 H18 N2 O6, overall=38.87, db=38.87, KEGG ID=C01683, METLIN ID=65631 ]			Ornaline	+	131.0577	6.4445	38.87	C01683	(132.0663, 751.79)(263.1222, 1389.78)	FindByMolecularFeature	C10 H18 N2 O6	2
Orthothymotinic Acid	Orthothymotinic Acid [ C11 H14 O3, overall=74.18, db=74.18, CAS ID=548-51-6, METLIN ID=43837 ]	548-51-6		Orthothymotinic Acid	+	216.0762	3.5415	74.18		(217.0835, 5569.35)(218.088, 1065.6)	FindByMolecularFeature	C11 H14 O3	2
Oxamflatin	Oxamflatin [ C17 H14 N2 O4 S, overall=69.39, db=69.39, CAS ID=151720-43-3, METLIN ID=64801 ]	151720-43-3		Oxamflatin	+	359.0936	4.9535	69.39		(360.1008, 4953.25)(361.1052, 1220.35)	FindByMolecularFeature	C17 H14 N2 O4 S	2
Oxfendazole	Oxfendazole [ C15 H13 N3 O3 S, overall=72.06, db=72.06, CAS ID=53716-50-0, METLIN ID=43289 ]	53716-50-0		Oxfendazole	+	315.0684	1.427	72.06		(316.0757, 4418.37)(317.0797, 839.53)	FindByMolecularFeature	C15 H13 N3 O3 S	2
Oxidized Latia luciferin	Oxidized Latia luciferin [ C13 H22 O, overall=77.18, db=77.18, KEGG ID=C03527, METLIN ID=65996 ]			Oxidized Latia luciferin	+	216.1478	5.433	77.18	C03527	(217.1551, 3827.64)(218.161, 561.78)	FindByMolecularFeature	C13 H22 O	2
PA(13:0/18:3(6Z,9Z,12Z))	PA(13:0/18:3(6Z,9Z,12Z)) [ C34 H61 O8 P, overall=59.22, db=59.22, Lipid ID=LMGP10010077, METLIN ID=81243 ]			PA(13:0/18:3(6Z,9Z,12Z))	+	650.3918	7.0585003	59.22		(651.399, 9981.79)(652.4021, 1280.85)	FindByMolecularFeature	C34 H61 O8 P	2		LMGP10010077
PA(13:0/18:4(6Z,9Z,12Z,15Z))	PA(13:0/18:4(6Z,9Z,12Z,15Z)) [ C34 H59 O8 P, overall=69.82, db=69.82, Lipid ID=LMGP10010079, METLIN ID=81245 ]			PA(13:0/18:4(6Z,9Z,12Z,15Z))	+	648.3756	4.83	69.82		(649.3828, 13148.46)(650.3863, 3700.13)	FindByMolecularFeature	C34 H59 O8 P	2		LMGP10010079
Panaxynol	Panaxynol [ C17 H24 O, overall=75.65, db=75.65, Lipid ID=LMFA05000019, KEGG ID=C17447, METLIN ID=36476 ]			Panaxynol	+	266.1634	4.453	75.65	C17447	(267.171, 4338.37)(268.1768, 993.07)	FindByMolecularFeature	C17 H24 O	2		LMFA05000019
Pantetheine	Pantetheine [ C11 H22 N2 O4 S, overall=83.40, db=83.40, CAS ID=496-65-1, KEGG ID=C00831, METLIN ID=63890, HMP ID=HMDB03426 ]	496-65-1		Pantetheine	+	278.1303	1.821	83.4	C00831	(301.1198, 2653.62)(279.1376, 16831.2)(280.1419, 2663.68)(281.1416, 1514.09)	FindByMolecularFeature	C11 H22 N2 O4 S	2	HMDB03426
para-Benzoquinone dioxime +1.734	para-Benzoquinone dioxime [ C6 H6 N2 O2, overall=58.58, db=58.58, CAS ID=105-11-3, KEGG ID=C19345, METLIN ID=73051 ]	105-11-3		para-Benzoquinone dioxime +1.734	+	138.0437	1.734	58.58	C19345	(139.0509, 9306.1)(140.0489, 1647.3)	FindByMolecularFeature	C6 H6 N2 O2	2
Paravallarine	Paravallarine [ C22 H33 N O2, overall=64.84, db=64.84, CAS ID=510-31-6, KEGG ID=C10814, METLIN ID=68602 ]	510-31-6		Paravallarine	+	365.2312	1.859	64.84	C10814	(366.2385, 3649.74)(367.24, 1034.26)	FindByMolecularFeature	C22 H33 N O2	2
Pargyline +6.3295	Pargyline [ C11 H13 N, overall=76.61, db=76.61, CAS ID=306-07-0, KEGG ID=C07414, METLIN ID=44165 ]	306-07-0		Pargyline +6.3295	+	181.0856	6.3295	76.61	C07414	(182.0929, 8422.24)(183.1055, 1241.74)	FindByMolecularFeature	C11 H13 N	2
PE(17:2(9Z,12Z)/0:0)	PE(17:2(9Z,12Z)/0:0) [ C22 H42 N O7 P, overall=65.76, db=65.76, Lipid ID=LMGP02050016, METLIN ID=77682 ]			PE(17:2(9Z,12Z)/0:0)	+	485.2524	1.9265001	65.76		(486.2597, 2449.33)(487.2625, 925.0)	FindByMolecularFeature	C22 H42 N O7 P	2		LMGP02050016
PE(18:1(9Z)/0:0)	PE(18:1(9Z)/0:0) [ C23 H46 N O7 P, overall=59.33, db=59.33, Lipid ID=LMGP02050004, CAS ID=89576-29-4, METLIN ID=40778 ]	89576-29-4		PE(18:1(9Z)/0:0)	+	501.2824	1.8364999	59.33		(502.2908, 2272.23)(503.296, 952.73)	FindByMolecularFeature	C23 H46 N O7 P	2		LMGP02050004
PE(19:0/0:0)	PE(19:0/0:0) [ C24 H50 N O7 P, overall=16.53, db=16.53, Lipid ID=LMGP02050028, METLIN ID=77694 ]			PE(19:0/0:0)	+	495.3283	6.682	16.53		(518.3168, 3187.02)(496.3394, 1524.7)	FindByMolecularFeature	C24 H50 N O7 P	2		LMGP02050028
PE(O-16:0/18:3(9Z,12Z,15Z))	PE(O-16:0/18:3(9Z,12Z,15Z)) [ C39 H74 N O7 P, overall=46.55, db=46.55, Lipid ID=LMGP02020098, METLIN ID=77577 ]			PE(O-16:0/18:3(9Z,12Z,15Z))	+	721.4971	2.125	46.55		(722.5044, 2452.28)(723.509, 1094.77)	FindByMolecularFeature	C39 H74 N O7 P	2		LMGP02020098
Pefurazoate	Pefurazoate [ C18 H23 N3 O4, overall=67.04, db=67.04, CAS ID=101903-30-4, KEGG ID=C18480, METLIN ID=72286 ]	101903-30-4		Pefurazoate	+	345.1681	1.4530001	67.04	C18480	(346.1754, 3016.67)(347.1813, 894.16)	FindByMolecularFeature	C18 H23 N3 O4	2
Pelargonyl acetic acid	Pelargonyl acetic acid [ C11 H20 O3, overall=43.83, db=43.83, Lipid ID=LMFA01060034, METLIN ID=35728 ]			Pelargonyl acetic acid	+	217.168	4.6485	43.83		(218.1751, 2956.2)(219.1827, 1102.99)	FindByMolecularFeature	C11 H20 O3	2		LMFA01060034
Pentetic acid	Pentetic acid [ C14 H23 N3 O10, overall=60.57, db=60.57, CAS ID=, METLIN ID=43302 ]			Pentetic acid	+	393.1377	1.394	60.57		(394.1449, 5704.89)(395.1483, 1964.36)	FindByMolecularFeature	C14 H23 N3 O10	2
Pentobarbital	Pentobarbital [ C11 H18 N2 O3, overall=55.21, db=55.21, CAS ID=76-74-4, KEGG ID=C07422, METLIN ID=494 ]	76-74-4		Pentobarbital	+	226.134	6.9674997	55.21	C07422	(227.1412, 2702.47)(228.1349, 714.31)	FindByMolecularFeature	C11 H18 N2 O3	2
Perindopril lactam	Perindopril lactam [ C19 H30 N2 O4, overall=73.74, db=73.74, CAS ID=129970-98-5, METLIN ID=1799 ]	129970-98-5		Perindopril lactam	+	367.2463	7.4785004	73.74		(368.2539, 11828.42)(369.257, 1637.42)(735.499, 2860.65)(736.5042, 1263.45)	FindByMolecularFeature	C19 H30 N2 O4	2
Perindopril lactam +7.535	Perindopril lactam [ C19 H30 N2 O4, overall=74.02, db=74.02, CAS ID=129970-98-5, METLIN ID=1799 ]	129970-98-5		Perindopril lactam +7.535	+	367.2466	7.535	74.02		(368.2539, 8799.87)(369.2573, 1229.23)	FindByMolecularFeature	C19 H30 N2 O4	2
Perindoprilat lactam A +1.62	Perindoprilat lactam A [ C17 H26 N2 O4, overall=69.96, db=69.96, CAS ID=129970-99-6, METLIN ID=1800 ]	129970-99-6		Perindoprilat lactam A +1.62	+	322.1886	1.62	69.96		(345.176, 789.63)(323.1963, 4267.29)(324.201, 1068.06)(325.198, 628.49)	FindByMolecularFeature	C17 H26 N2 O4	2
Perindoprilat lactam A +7.4085	Perindoprilat lactam A [ C17 H26 N2 O4, overall=73.67, db=73.67, CAS ID=129970-99-6, METLIN ID=1800 ]	129970-99-6		Perindoprilat lactam A +7.4085	+	322.1889	7.4085	73.67		(323.1961, 4700.81)(324.1998, 1299.22)	FindByMolecularFeature	C17 H26 N2 O4	2
PG(12:0/17:0) +1.023	PG(12:0/17:0) [ C35 H69 O10 P, overall=85.80, db=85.80, Lipid ID=LMGP04010050, METLIN ID=78875 ]			PG(12:0/17:0) +1.023	+	697.4918	1.023	85.8		(698.4991, 37595.21)(699.5024, 17004.1)(700.5077, 4998.91)(701.5115, 655.39)	FindByMolecularFeature	C35 H69 O10 P	2		LMGP04010050
PG(14:0/18:3(9Z,12Z,15Z))	PG(14:0/18:3(9Z,12Z,15Z)) [ C38 H69 O10 P, overall=58.74, db=58.74, Lipid ID=LMGP04010927, METLIN ID=79752 ]			PG(14:0/18:3(9Z,12Z,15Z))	+	738.4448	7.4545	58.74		(739.4512, 4056.77)(740.455, 529.71)	FindByMolecularFeature	C38 H69 O10 P	2		LMGP04010927
PG(19:1(9Z)/0:0)	PG(19:1(9Z)/0:0) [ C25 H49 O9 P, overall=49.08, db=49.08, Lipid ID=LMGP04050022, METLIN ID=80010 ]			PG(19:1(9Z)/0:0)	+	541.3407	1.245	49.08		(542.3481, 3654.52)(543.3496, 2104.69)	FindByMolecularFeature	C25 H49 O9 P	2		LMGP04050022
Phalaenopsine T	Phalaenopsine T [ C20 H27 N O5, overall=68.28, db=68.28, CAS ID=23412-97-7, KEGG ID=C10361, METLIN ID=68276 ]	23412-97-7		Phalaenopsine T	+	378.2154	6.863	68.28	C10361	(379.223, 3631.02)(380.226, 1252.3)	FindByMolecularFeature	C20 H27 N O5	2
Phe Cys	Phe Cys [ C12 H16 N2 O3 S, overall=92.19, db=92.19, METLIN ID=24017 ]			Phe Cys	+	285.1149	4.865	92.19		(286.122, 7408.39)(287.1255, 1026.38)(288.1237, 625.03)	FindByMolecularFeature	C12 H16 N2 O3 S	2
Phe Phe Gln	Phe Phe Gln [ C23 H28 N4 O5, overall=99.26, db=99.26, METLIN ID=23045 ]			Phe Phe Gln	+	440.2055	5.386	99.26		(441.2128, 21143.26)(442.2159, 5447.0)(443.2194, 830.33)	FindByMolecularFeature	C23 H28 N4 O5	2
Phe Phe Gln +5.729	Phe Phe Gln [ C23 H28 N4 O5, overall=81.27, db=81.27, METLIN ID=23045 ]			Phe Phe Gln +5.729	+	440.2056	5.729	81.27		(441.2131, 4002.25)(442.2168, 924.28)	FindByMolecularFeature	C23 H28 N4 O5	2
Phe Thr	Phe Thr [ C13 H18 N2 O4, overall=70.20, db=70.20, METLIN ID=23662 ]			Phe Thr	+	266.1271	1.4965	70.2		(267.1344, 4028.59)(268.137, 821.42)(269.1385, 1029.58)(284.1633, 831.21)	FindByMolecularFeature	C13 H18 N2 O4	2
Phe Thr Cys	Phe Thr Cys [ C16 H23 N3 O5 S, overall=98.77, db=98.77, METLIN ID=20856 ]			Phe Thr Cys	+	386.162	5.789	98.77		(387.1694, 10764.68)(388.1728, 2005.48)(389.169, 736.1)	FindByMolecularFeature	C16 H23 N3 O5 S	2
Phenformin	Phenformin [ C10 H15 N5, overall=51.24, db=51.24, CAS ID=114-86-3, KEGG ID=C07673, METLIN ID=66713 ]	114-86-3		Phenformin	+	205.1314	6.4885	51.24	C07673	(206.1386, 3226.67)(207.1487, 997.35)	FindByMolecularFeature	C10 H15 N5	2
Phenylbutyrylglutamine	Phenylbutyrylglutamine [ C15 H20 N2 O4, overall=67.31, db=67.31, METLIN ID=62425, HMP ID=HMDB11687 ]			Phenylbutyrylglutamine	+	292.1429	1.526	67.31		(315.1297, 675.71)(293.1504, 3000.85)(294.1534, 805.95)(295.153, 772.61)	FindByMolecularFeature	C15 H20 N2 O4	2	HMDB11687
Phenyltoloxamine	Phenyltoloxamine [ C17 H21 N O, overall=65.67, db=65.67, CAS ID=, METLIN ID=43309 ]			Phenyltoloxamine	+	255.1637	4.2060003	65.67		(256.1713, 6249.96)(257.1755, 1554.75)	FindByMolecularFeature	C17 H21 N O	2
p-Hydroxygliquidone	p-Hydroxygliquidone [ C27 H33 N3 O7 S, overall=58.91, db=58.91, CAS ID=57081-86-4, METLIN ID=3124 ]	57081-86-4		p-Hydroxygliquidone	+	543.2054	1.181	58.91		(544.2127, 2691.26)(545.2156, 1150.61)	FindByMolecularFeature	C27 H33 N3 O7 S	2
p-Hydroxymexiletine	p-Hydroxymexiletine [ C11 H17 N O2, overall=67.73, db=67.73, CAS ID=53566-99-7, METLIN ID=1263 ]	53566-99-7		p-Hydroxymexiletine	+	217.1074	7.649	67.73		(218.1147, 5329.08)(219.1166, 1132.27)	FindByMolecularFeature	C11 H17 N O2	2
p-Hydroxynorpseudoephedrine +3.6155	p-Hydroxynorpseudoephedrine [ C9 H13 N O2, overall=53.14, db=53.14, CAS ID=552-85-2, METLIN ID=2017 ]	552-85-2		p-Hydroxynorpseudoephedrine +3.6155	+	184.1214	3.6155	53.14		(185.1287, 6266.91)(186.1379, 1259.47)	FindByMolecularFeature	C9 H13 N O2	2
Phytuberin	Phytuberin [ C17 H26 O4, overall=80.15, db=80.15, CAS ID=37209-50-0, KEGG ID=C09709, METLIN ID=67898 ]	37209-50-0		Phytuberin	+	311.2095	4.093	80.15	C09709	(312.2168, 7733.9)(313.2225, 1498.68)	FindByMolecularFeature	C17 H26 O4	2
PI(12:0/12:0) +7.3865004	PI(12:0/12:0) [ C33 H63 O13 P, overall=91.20, db=91.20, Lipid ID=LMGP06010962, METLIN ID=80984 ]			PI(12:0/12:0) +7.3865004	+	715.4284	7.3865004	91.2		(716.4356, 23127.62)(717.4385, 7286.35)(718.4408, 911.12)	FindByMolecularFeature	C33 H63 O13 P	2		LMGP06010962
PI(12:0/15:0)	PI(12:0/15:0) [ C36 H69 O13 P, overall=60.88, db=60.88, Lipid ID=LMGP06010015, METLIN ID=80037 ]			PI(12:0/15:0)	+	762.4284	1.1099999	60.88		(763.4357, 3060.65)(764.4387, 1625.0)	FindByMolecularFeature	C36 H69 O13 P	2		LMGP06010015
PI(18:0/16:1(9Z))	PI(18:0/16:1(9Z)) [ C43 H81 O13 P, overall=59.07, db=59.07, Lipid ID=LMGP06010857, METLIN ID=80879 ]			PI(18:0/16:1(9Z))	+	836.5399	1.517	59.07		(837.5472, 2848.08)(838.5517, 1381.18)(839.5624, 2625.15)	FindByMolecularFeature	C43 H81 O13 P	2		LMGP06010857
Picrasin A	Picrasin A [ C26 H34 O8, overall=99.38, db=99.38, CAS ID=27368-79-2, KEGG ID=C17049, METLIN ID=71524 ]	27368-79-2		Picrasin A	+	474.2252	1.4905	99.38	C17049	(497.2138, 1700.49)(475.2325, 12469.38)(476.2363, 3720.08)(477.239, 747.02)	FindByMolecularFeature	C26 H34 O8	2
Pikromycin +1.9025	Pikromycin [ C28 H47 N O8, overall=92.61, db=92.61, Lipid ID=LMPK04000038, KEGG ID=C11999, METLIN ID=41002 ]			Pikromycin +1.9025	+	525.3303	1.9025	92.61	C11999	(526.3372, 8106.8)(527.3397, 2667.39)(528.3461, 881.41)	FindByMolecularFeature	C28 H47 N O8	2		LMPK04000038
Pikromycin +3.2605	Pikromycin [ C28 H47 N O8, overall=78.19, db=78.19, Lipid ID=LMPK04000038, KEGG ID=C11999, METLIN ID=41002 ]			Pikromycin +3.2605	+	525.3297	3.2605	78.19	C11999	(526.337, 7991.58)(527.3404, 2468.56)	FindByMolecularFeature	C28 H47 N O8	2		LMPK04000038
Pinnasterol	Pinnasterol [ C27 H42 O5, overall=65.90, db=65.90, Lipid ID=LMST01010283, METLIN ID=83885 ]			Pinnasterol	+	446.3025	1.241	65.9		(447.3102, 1676.35)(448.3197, 903.64)(464.3367, 2768.34)(465.3394, 1180.75)	FindByMolecularFeature	C27 H42 O5	2		LMST01010283
PIP(20:1(11Z)/18:2(9Z,12Z))	PIP(20:1(11Z)/18:2(9Z,12Z)) [ C47 H86 O16 P2, overall=43.07, db=43.07, KEGG ID=C00626, METLIN ID=61382, HMP ID=HMDB10001 ]			PIP(20:1(11Z)/18:2(9Z,12Z))	+	990.5253	1.1005	43.07	C00626	(991.5326, 3045.67)(992.5377, 1916.6)	FindByMolecularFeature	C47 H86 O16 P2	2	HMDB10001
Piperideine	Piperideine [ C5 H9 N, overall=85.16, db=85.16, CAS ID=, KEGG ID=C06181, METLIN ID=63458 ]			Piperideine	+	83.0735	6.5095	85.16	C06181	(84.0806, 15132.5)(85.0838, 1296.68)	FindByMolecularFeature	C5 H9 N	2
Platydesmine	Platydesmine [ C15 H17 N O3, overall=70.29, db=70.29, CAS ID=2824-86-4, KEGG ID=C16721, METLIN ID=71296 ]	2824-86-4		Platydesmine	+	276.1475	5.208	70.29	C16721	(277.1547, 5478.04)(278.1581, 1051.11)(279.1642, 804.3)	FindByMolecularFeature	C15 H17 N O3	2
Pleurostyline	Pleurostyline [ C25 H29 N3 O2, overall=77.01, db=77.01, CAS ID=67257-79-8, KEGG ID=C10612, METLIN ID=68428 ]	67257-79-8		Pleurostyline	+	411.7386	5.57	77.01	C10612	(412.7469, 2443.53)(824.4839, 9444.0)(825.4873, 3809.2)(826.4891, 1166.72)	FindByMolecularFeature	C25 H29 N3 O2	2
Polygonolide +1.253	Polygonolide [ C12 H12 O4, overall=86.24, db=86.24, CAS ID=100560-66-5, KEGG ID=C09963, METLIN ID=68050 ]	100560-66-5		Polygonolide +1.253	+	237.1001	1.253	86.24	C09963	(238.1076, 8795.3)(239.1102, 1201.39)	FindByMolecularFeature	C12 H12 O4	2
Populin	Populin [ C20 H22 O8, overall=96.79, db=96.79, CAS ID=99-17-2, KEGG ID=C10823, METLIN ID=68608 ]	99-17-2		Populin	+	390.1316	1.3900001	96.79	C10823	(413.1209, 2219.61)(391.1383, 848.18)(408.1653, 19803.56)(409.1688, 4258.7)(410.1733, 1267.0)	FindByMolecularFeature	C20 H22 O8	2
Practolol	Practolol [ C14 H22 N2 O3, overall=84.88, db=84.88, CAS ID=6673-35-4, KEGG ID=C11696, METLIN ID=69161 ]	6673-35-4		Practolol	+	283.19	3.7045002	84.88	C11696	(284.1973, 11002.7)(285.2009, 1919.01)	FindByMolecularFeature	C14 H22 N2 O3	2
pregnan-21-ol	pregnan-21-ol [ C21 H36 O, overall=40.39, db=40.39, Lipid ID=LMST02030174, KEGG ID=C00892, METLIN ID=57868 ]			pregnan-21-ol	+	326.2617	1.2355	40.39	C00892	(327.269, 3042.19)(328.2688, 1432.12)	FindByMolecularFeature	C21 H36 O	2		LMST02030174
Pro Gly Ile	Pro Gly Ile [ C13 H23 N3 O4, overall=47.12, db=47.12, METLIN ID=21068 ]			Pro Gly Ile	+	285.1689	3.932	47.12		(308.1576, 1687.02)(286.1765, 2334.44)	FindByMolecularFeature	C13 H23 N3 O4	2
Pro His Glu	Pro His Glu [ C16 H23 N5 O6, overall=68.30, db=68.30, METLIN ID=22516 ]			Pro His Glu	+	403.1456	6.0585003	68.3		(404.1529, 4321.67)(405.1562, 1252.91)	FindByMolecularFeature	C16 H23 N5 O6	2
Pro Phe Tyr	Pro Phe Tyr [ C23 H27 N3 O5, overall=81.79, db=81.79, METLIN ID=18874 ]			Pro Phe Tyr	+	442.2212	5.2714996	81.79		(443.2285, 7935.8)(444.2317, 2176.01)	FindByMolecularFeature	C23 H27 N3 O5	2
Pro Val Val	Pro Val Val [ C15 H27 N3 O4, overall=64.09, db=64.09, METLIN ID=22872 ]			Pro Val Val	+	313.2004	6.719	64.09		(314.207, 3584.15)(315.2085, 1040.6)	FindByMolecularFeature	C15 H27 N3 O4	2
Proacacipetalin	Proacacipetalin [ C11 H17 N O6, overall=49.33, db=49.33, CAS ID=66871-89-4, KEGG ID=C08338, METLIN ID=66917 ]	66871-89-4		Proacacipetalin	+	259.1048	6.699	49.33	C08338	(260.1111, 2688.44)(261.1144, 932.76)	FindByMolecularFeature	C11 H17 N O6	2
Prohydrojasmon	Prohydrojasmon [ C15 H26 O3, overall=47.30, db=47.30, CAS ID=178602-66-9, KEGG ID=C18538, METLIN ID=72344 ]	178602-66-9		Prohydrojasmon	+	254.1874	1.2935	47.3	C18538	(255.1935, 1247.61)(272.2223, 1587.76)(509.3805, 711.28)	FindByMolecularFeature	C15 H26 O3	2
Propicillan	Propicillan [ C18 H22 N2 O5 S, overall=67.97, db=67.97, CAS ID=1245-44-9, KEGG ID=C13110, METLIN ID=69538 ]	1245-44-9		Propicillan	+	395.1522	1.38	67.97	C13110	(396.1597, 5762.15)(397.1627, 1754.36)(398.1668, 926.77)	FindByMolecularFeature	C18 H22 N2 O5 S	2
Propiomazine	Propiomazine [ C20 H24 N2 O S, overall=59.48, db=59.48, CAS ID=1240-15-9, KEGG ID=C07405, METLIN ID=44141 ]	1240-15-9		Propiomazine	+	362.1431	4.9665003	59.48	C07405	(363.1504, 2689.7)(364.154, 1192.1)	FindByMolecularFeature	C20 H24 N2 O S	2
Propoxur +1.4725001	Propoxur [ C11 H15 N O3, overall=52.04, db=52.04, CAS ID=114-26-1, KEGG ID=C14334, METLIN ID=44243 ]	114-26-1		Propoxur +1.4725001	+	209.1054	1.4725001	52.04	C14334	(210.1126, 9351.28)(211.1216, 2208.13)	FindByMolecularFeature	C11 H15 N O3	2
Propoxur +1.7019999	Propoxur [ C11 H15 N O3, overall=54.72, db=54.72, CAS ID=114-26-1, KEGG ID=C14334, METLIN ID=44243 ]	114-26-1		Propoxur +1.7019999	+	209.1077	1.7019999	54.72	C14334	(210.115, 5196.32)(211.1107, 1172.72)	FindByMolecularFeature	C11 H15 N O3	2
Prosafrinine	Prosafrinine [ C17 H33 N O2, overall=84.22, db=84.22, Lipid ID=LMSP01080051, METLIN ID=53951 ]			Prosafrinine	+	300.2777	5.303	84.22		(301.2851, 9692.8)(302.2871, 1982.11)	FindByMolecularFeature	C17 H33 N O2	2		LMSP01080051
Prosopinine +1.1194999	Prosopinine [ C16 H33 N O3, overall=47.10, db=47.10, Lipid ID=LMSP01080049, METLIN ID=53949 ]			Prosopinine +1.1194999	+	287.2465	1.1194999	47.1		(310.2358, 842.96)(288.2537, 79069.95)	FindByMolecularFeature	C16 H33 N O3	2		LMSP01080049
Prostaglandin D2-biotin	Prostaglandin D2-biotin [ C36 H60 N4 O6 S, overall=57.41, db=57.41, METLIN ID=44944 ]			Prostaglandin D2-biotin	+	693.4524	3.9984999	57.41		(694.4596, 1619.62)(695.4606, 722.53)	FindByMolecularFeature	C36 H60 N4 O6 S	2
Prostaglandin E2-biotin	Prostaglandin E2-biotin [ C35 H58 N4 O6 S, overall=61.51, db=61.51, METLIN ID=44962 ]			Prostaglandin E2-biotin	+	679.4344	4.3295	61.51		(680.4417, 2657.16)(681.4458, 1287.7)	FindByMolecularFeature	C35 H58 N4 O6 S	2
Prothiocarb	Prothiocarb [ C8 H18 N2 O S, overall=30.73, db=30.73, CAS ID=19622-08-3, KEGG ID=C18943, METLIN ID=72703 ]	19622-08-3		Prothiocarb	+	212.0974	1.9575	30.73	C18943	(213.1047, 4071.94)(214.1107, 1314.42)	FindByMolecularFeature	C8 H18 N2 O S	2
PS(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	PS(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C44 H74 N O9 P, overall=95.52, db=95.52, Lipid ID=LMGP03030092, METLIN ID=78832 ]			PS(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	+	813.4927	5.9230003	95.52		(814.5, 24942.11)(815.5036, 10419.19)(816.5054, 2881.07)(817.5097, 321.44)	FindByMolecularFeature	C44 H74 N O9 P	2		LMGP03030092
PtdIns-(1,2-dihexanoyl)	PtdIns-(1,2-dihexanoyl) [ C21 H39 O13 P, overall=48.01, db=48.01, METLIN ID=64898 ]			PtdIns-(1,2-dihexanoyl)	+	547.2363	1.3375	48.01		(548.2435, 1325.07)(549.2512, 813.04)	FindByMolecularFeature	C21 H39 O13 P	2
Pyridostigmine	Pyridostigmine [ C9 H13 N2 O2, overall=47.00, db=47.00, CAS ID=155-97-5, KEGG ID=C07410, METLIN ID=2199 ]	155-97-5		Pyridostigmine	+	180.0902	1.6925	47	C07410	(181.0975, 2405.57)(378.2144, 1339.64)(361.1859, 1025.79)	FindByMolecularFeature	C9 H13 N2 O2	2
Quinamide Isopropylidene	Quinamide Isopropylidene [ C10 H17 N O5, overall=72.61, db=72.61, CAS ID=, METLIN ID=43826 ]			Quinamide Isopropylidene	+	231.1112	1.3045	72.61		(232.1185, 7799.57)(233.1245, 1169.2)	FindByMolecularFeature	C10 H17 N O5	2
QX-314	QX-314 [ C16 H26 N2 O, overall=28.87, db=28.87, CAS ID=24003-58-5, METLIN ID=64712 ]	24003-58-5		QX-314	+	261.1936	1.281	28.87		(284.1803, 849.47)(262.2013, 1723.84)(263.2025, 679.96)	FindByMolecularFeature	C16 H26 N2 O	2
Reduced 2,6-Dichlorophenolindophenol	Reduced 2,6-Dichlorophenolindophenol [ C12 H9 Cl2 N O2, overall=58.97, db=58.97, KEGG ID=C05720, METLIN ID=66334 ]			Reduced 2,6-Dichlorophenolindophenol	+	290.9827	2.7800002	58.97	C05720	(291.99, 2952.16)(292.9929, 916.71)	FindByMolecularFeature	C12 H9 Cl2 N O2	2
Remikiren +4.8105	Remikiren [ C33 H50 N4 O6 S, overall=64.79, db=64.79, CAS ID=126222-34-2, KEGG ID=C07465, METLIN ID=66652 ]	126222-34-2		Remikiren +4.8105	+	647.3725	4.8105	64.79	C07465	(648.3802, 10673.43)(649.3828, 3458.48)	FindByMolecularFeature	C33 H50 N4 O6 S	2
Retinyl glucuronide	Retinyl glucuronide [ C26 H38 O7, overall=96.86, db=96.86, CAS ID=16639-19-3, METLIN ID=2273 ]	16639-19-3		Retinyl glucuronide	+	462.2615	1.9035	96.86		(463.2686, 18788.69)(464.2723, 4942.76)(465.2761, 1369.67)	FindByMolecularFeature	C26 H38 O7	2
Retinyl glucuronide +2.5349998	Retinyl glucuronide [ C26 H38 O7, overall=80.31, db=80.31, CAS ID=16639-19-3, METLIN ID=2273 ]	16639-19-3		Retinyl glucuronide +2.5349998	+	462.2615	2.5349998	80.31		(463.2688, 8076.94)(464.2719, 2288.75)(925.53, 2165.65)(926.5341, 1381.71)	FindByMolecularFeature	C26 H38 O7	2
Retinyl glucuronide +3.2575002	Retinyl glucuronide [ C26 H38 O7, overall=74.04, db=74.04, CAS ID=16639-19-3, METLIN ID=2273 ]	16639-19-3		Retinyl glucuronide +3.2575002	+	462.2616	3.2575002	74.04		(463.2689, 3122.11)(464.2721, 1092.94)	FindByMolecularFeature	C26 H38 O7	2
Rifamycin	Rifamycin [ C37 H47 N O12, overall=94.11, db=94.11, Lipid ID=LMPK05000005, KEGG ID=C12044, METLIN ID=41003 ]			Rifamycin	+	697.3118	1.1015	94.11	C12044	(698.3191, 13640.46)(699.3223, 5443.25)(700.3242, 1474.81)	FindByMolecularFeature	C37 H47 N O12	2		LMPK05000005
Rilmenidine	Rilmenidine [ C10 H16 N2 O, overall=62.92, db=62.92, CAS ID=54187-04-1, KEGG ID=C11120, METLIN ID=68861 ]	54187-04-1		Rilmenidine	+	202.1069	7.418	62.92	C11120	(203.1141, 5842.6)(204.1222, 1164.33)	FindByMolecularFeature	C10 H16 N2 O	2
Rishitin	Rishitin [ C14 H22 O2, overall=44.51, db=44.51, CAS ID=18178-54-6, KEGG ID=C09715, METLIN ID=67903 ]	18178-54-6		Rishitin	+	222.163	1.2509999	44.51	C09715	(223.1701, 2891.79)(240.1974, 929.17)	FindByMolecularFeature	C14 H22 O2	2
Rivastigmine	Rivastigmine [ C14 H22 N2 O2, overall=86.17, db=86.17, CAS ID=123441-03-2, KEGG ID=C11766, METLIN ID=69205 ]	123441-03-2		Rivastigmine	+	250.1684	9.106	86.17	C11766	(251.1757, 24059.46)(252.179, 4156.33)	FindByMolecularFeature	C14 H22 N2 O2	2
Rosmarinine	Rosmarinine [ C18 H27 N O6, overall=78.52, db=78.52, CAS ID=520-65-0, KEGG ID=C10380, METLIN ID=68291 ]	520-65-0		Rosmarinine	+	353.1838	2.1985	78.52	C10380	(354.1911, 2449.78)(355.1949, 625.61)	FindByMolecularFeature	C18 H27 N O6	2
Samandarine	Samandarine [ C19 H31 N O2, overall=81.91, db=81.91, CAS ID=467-51-6, KEGG ID=C19950, METLIN ID=73446 ]	467-51-6		Samandarine	+	305.2355	4.5614996	81.91	C19950	(306.2427, 7643.82)(307.2466, 1916.65)	FindByMolecularFeature	C19 H31 N O2	2
SB 200646	SB 200646 [ C15 H14 N4 O, overall=46.77, db=46.77, CAS ID=143797-63-1, KEGG ID=C11739, METLIN ID=69188 ]	143797-63-1		SB 200646	+	266.1194	1.479	46.77	C11739	(267.1267, 2501.86)(268.1272, 767.17)	FindByMolecularFeature	C15 H14 N4 O	2
Scarlet Red	Scarlet Red [ C24 H20 N4 O, overall=61.84, db=61.84, CAS ID=85-83-6, KEGG ID=C19520, METLIN ID=73202 ]	85-83-6		Scarlet Red	+	402.1452	2.791	61.84	C19520	(403.1533, 2051.64)(404.1551, 929.3)	FindByMolecularFeature	C24 H20 N4 O	2
Scopolamine	Scopolamine [ C17 H21 N O4, overall=62.09, db=62.09, CAS ID=51-34-3, KEGG ID=C01851, METLIN ID=3433, HMP ID=HMDB03573 ]	51-34-3		Scopolamine	+	320.1713	1.4705	62.09	C01851	(321.179, 6100.2)(322.1803, 1479.96)	FindByMolecularFeature	C17 H21 N O4	2	HMDB03573
Scopolamine N-oxide	Scopolamine N-oxide [ C17 H21 N O5, overall=69.20, db=69.20, CAS ID=6106-81-6, METLIN ID=4082 ]	6106-81-6		Scopolamine N-oxide	+	336.1686	2.2085	69.2		(337.1753, 3627.64)(338.1818, 951.06)	FindByMolecularFeature	C17 H21 N O5	2
Scorpioidin	Scorpioidin [ C16 H20 O4, overall=62.35, db=62.35, CAS ID=76045-40-4, KEGG ID=C09548, METLIN ID=67795 ]	76045-40-4		Scorpioidin	+	293.1632	4.7105	62.35	C09548	(294.1694, 3295.7)(295.1723, 1089.72)	FindByMolecularFeature	C16 H20 O4	2
Secnidazole +3.6115	Secnidazole [ C7 H11 N3 O3, overall=62.94, db=62.94, CAS ID=3366-95-8, METLIN ID=43554 ]	3366-95-8		Secnidazole +3.6115	+	185.0802	3.6115	62.94		(186.0875, 6007.94)(187.091, 1294.45)	FindByMolecularFeature	C7 H11 N3 O3	2
sec-o-Glucosylhamaudol	sec-o-Glucosylhamaudol [ C21 H26 O10, overall=94.63, db=94.63, KEGG ID=C17484, METLIN ID=71727 ]			sec-o-Glucosylhamaudol	+	438.1524	1.668	94.63	C17484	(461.1414, 1627.19)(439.1597, 6816.14)(440.1634, 1898.9)(441.1653, 560.09)	FindByMolecularFeature	C21 H26 O10	2
Ser His His	Ser His His [ C15 H21 N7 O5, overall=46.09, db=46.09, METLIN ID=22669 ]			Ser His His	+	379.1636	1.276	46.09		(402.1539, 1372.8)(380.1707, 6517.58)(381.176, 1681.28)	FindByMolecularFeature	C15 H21 N7 O5	2
Ser Ser Ser	Ser Ser Ser [ C9 H17 N3 O7, overall=76.99, db=76.99, METLIN ID=23622 ]			Ser Ser Ser	+	301.089	3.2325	76.99		(302.0964, 5887.47)(303.0999, 974.48)	FindByMolecularFeature	C9 H17 N3 O7	2
Ser-Gly-OH	Ser-Gly-OH [ C11 H12 N2 O7, overall=78.11, db=78.11, METLIN ID=65063 ]			Ser-Gly-OH	+	301.0918	4.413	78.11		(302.0993, 23488.63)(303.1025, 3493.26)(304.0972, 2183.54)(305.1022, 260.91)	FindByMolecularFeature	C11 H12 N2 O7	2
Serratanidine	Serratanidine [ C16 H25 N O4, overall=61.03, db=61.03, CAS ID=19637-58-2, KEGG ID=C09899, METLIN ID=67995 ]	19637-58-2		Serratanidine	+	295.1801	1.7195001	61.03	C09899	(296.1875, 6040.56)(297.192, 1515.75)	FindByMolecularFeature	C16 H25 N O4	2
Serratine	Serratine [ C16 H25 N O3, overall=70.38, db=70.38, CAS ID=15252-93-4, KEGG ID=C09901, METLIN ID=67996 ]	15252-93-4		Serratine	+	279.1842	5.6595	70.38	C09901	(280.1915, 5673.86)(281.1959, 1449.94)	FindByMolecularFeature	C16 H25 N O3	2
Simvastatin-6'-carboxylic acid	Simvastatin-6'-carboxylic acid [ C25 H36 O7, overall=64.64, db=64.64, CAS ID=114883-30-6, METLIN ID=2452 ]	114883-30-6		Simvastatin-6'-carboxylic acid	+	448.2461	1.859	64.64		(449.2562, 5326.15)(450.2598, 1528.59)	FindByMolecularFeature	C25 H36 O7	2
Slaframine	Slaframine [ C10 H18 N2 O2, overall=81.89, db=81.89, CAS ID=20084-93-9, KEGG ID=C06185, METLIN ID=64439 ]	20084-93-9		Slaframine	+	198.1373	1.8529999	81.89	C06185	(199.1445, 14843.55)(200.1477, 2365.03)	FindByMolecularFeature	C10 H18 N2 O2	2
Songorine	Songorine [ C22 H31 N O3, overall=63.42, db=63.42, CAS ID=509-24-0, KEGG ID=C08707, METLIN ID=67141 ]	509-24-0		Songorine	+	374.2545	7.6175003	63.42	C08707	(375.2617, 175883.92)(376.2648, 22201.56)(377.2678, 965.24)(749.5147, 10901.13)(750.5188, 4843.67)(751.5204, 1354.62)	FindByMolecularFeature	C22 H31 N O3	2
Sotalol	Sotalol [ C12 H20 N2 O3 S, overall=96.52, db=96.52, CAS ID=3930-20-9, KEGG ID=C07309, METLIN ID=2474 ]	3930-20-9		Sotalol	+	272.1199	5.3315	96.52	C07309	(273.1271, 10169.86)(274.1302, 1781.64)(275.1245, 818.41)	FindByMolecularFeature	C12 H20 N2 O3 S	2
Sphaerodiene	Sphaerodiene [ C20 H36, overall=78.69, db=78.69, METLIN ID=53663 ]			Sphaerodiene	+	298.2622	5.7285004	78.69		(299.2695, 12638.17)(300.2729, 2509.18)	FindByMolecularFeature	C20 H36	2
Spiperone	Spiperone [ C23 H26 F N3 O2, overall=80.60, db=80.60, CAS ID=749-02-0, METLIN ID=43483 ]	749-02-0		Spiperone	+	417.184	5.5985003	80.6		(418.1913, 2795.71)(419.1933, 705.0)	FindByMolecularFeature	C23 H26 F N3 O2	2
Spisulosine	Spisulosine [ C18 H39 N O, overall=99.22, db=99.22, Lipid ID=LMSP01080032, METLIN ID=53932 ]			Spisulosine	+	285.303	4.0544996	99.22		(286.3103, 42627.29)(287.3138, 8041.25)(288.3163, 1147.01)	FindByMolecularFeature	C18 H39 N O	2		LMSP01080032
Spongipregnoloside D	Spongipregnoloside D [ C40 H64 O16, overall=99.45, db=99.45, Lipid ID=LMST02030220, METLIN ID=84310 ]			Spongipregnoloside D	+	817.4459	1.088	99.45		(818.4532, 18287.34)(819.4569, 8308.2)(820.4581, 2567.38)(821.4627, 494.9)	FindByMolecularFeature	C40 H64 O16	2		LMST02030220
stigmast-25-en-3?-ol +1.4	stigmast-25-en-3?-ol [ C29 H50 O, overall=62.56, db=62.56, METLIN ID=41780 ]			stigmast-25-en-3?-ol +1.4	+	436.3659	1.4	62.56		(437.3737, 3386.63)(438.3759, 1342.97)	FindByMolecularFeature	C29 H50 O	2
Strophanthidin Semicarbazide	Strophanthidin Semicarbazide [ C24 H35 N3 O6, overall=61.57, db=61.57, CAS ID=, METLIN ID=44254 ]			Strophanthidin Semicarbazide	+	483.2363	1.894	61.57		(484.2436, 2326.62)(485.2469, 898.71)	FindByMolecularFeature	C24 H35 N3 O6	2
SU 5416	SU 5416 [ C15 H14 N2 O, overall=66.31, db=66.31, CAS ID=204005-46-9, METLIN ID=45544 ]	204005-46-9		SU 5416	+	238.1108	4.796	66.31		(239.1181, 3344.1)(240.1221, 969.82)	FindByMolecularFeature	C15 H14 N2 O	2
Suxibuzone	Suxibuzone [ C24 H26 N2 O6, overall=67.90, db=67.90, CAS ID=27470-51-5, METLIN ID=43488 ]	27470-51-5		Suxibuzone	+	455.2053	2.4194999	67.9		(456.2126, 2344.0)(457.2174, 875.14)	FindByMolecularFeature	C24 H26 N2 O6	2
Tecomine	Tecomine [ C11 H17 N O, overall=55.33, db=55.33, CAS ID=6878-83-7, KEGG ID=C09988, METLIN ID=68067 ]	6878-83-7		Tecomine	+	179.1312	4.7415	55.33	C09988	(180.1385, 4984.72)(181.1402, 2220.95)	FindByMolecularFeature	C11 H17 N O	2
Tecostanine	Tecostanine [ C11 H21 N O, overall=64.55, db=64.55, CAS ID=708-18-9, KEGG ID=C09989, METLIN ID=68068 ]	708-18-9		Tecostanine	+	200.1889	5.1870003	64.55	C09989	(201.1962, 6373.78)(202.1964, 1369.2)	FindByMolecularFeature	C11 H21 N O	2
Telithromycin	Telithromycin [ C43 H65 N5 O10, overall=40.61, db=40.61, CAS ID=191114-48-4, KEGG ID=C12009, METLIN ID=43887 ]	191114-48-4		Telithromycin	+	833.4494	1.047	40.61	C12009	(834.4567, 2752.72)(835.4607, 1471.38)	FindByMolecularFeature	C43 H65 N5 O10	2
Tenuazonic acid	Tenuazonic acid [ C10 H15 N O3, overall=40.94, db=40.94, CAS ID=27778-66-1, KEGG ID=C08511, METLIN ID=67032 ]	27778-66-1		Tenuazonic acid	+	197.1053	1.5935	40.94	C08511	(220.0961, 646.52)(198.1126, 3209.58)(199.1067, 836.66)	FindByMolecularFeature	C10 H15 N O3	2
Terbucarb	Terbucarb [ C17 H27 N O2, overall=98.83, db=98.83, CAS ID=1918-11-2, KEGG ID=C19129, METLIN ID=72871 ]	11/2/1918		Terbucarb	+	277.2046	4.4575	98.83	C19129	(278.2119, 3451321.2)(279.2153, 619190.8)(280.2179, 63287.37)(281.2211, 6425.94)	FindByMolecularFeature	C17 H27 N O2	2
Testosterone phenylpropionate	Testosterone phenylpropionate [ C28 H36 O3, overall=73.91, db=73.91, CAS ID=1255-49-8, KEGG ID=C14667, METLIN ID=70245 ]	1255-49-8		Testosterone phenylpropionate	+	442.2468	4.355	73.91	C14667	(443.254, 7877.37)(444.257, 2408.27)	FindByMolecularFeature	C28 H36 O3	2
Tetradecylamine +4.2875004	Tetradecylamine [ C14 H31 N, overall=60.91, db=60.91, CAS ID=2016-42-4, METLIN ID=3313 ]	2016-42-4		Tetradecylamine +4.2875004	+	213.2454	4.2875004	60.91		(214.2531, 3478.92)(215.2567, 1214.62)	FindByMolecularFeature	C14 H31 N	2
Tetranor-PGEM-d6	Tetranor-PGEM-d6 [ C16 H16 D6 O7, overall=62.43, db=62.43, Lipid ID=LMFA03010175, METLIN ID=36222 ]			Tetranor-PGEM-d6	+	332.1742	1.269	62.43		(333.1814, 3664.85)(334.187, 878.92)(335.1838, 1041.55)	FindByMolecularFeature	C16 H16 D6 O7	2		LMFA03010175
Tetranor-PGF1alpha +4.7539997	Tetranor-PGF1alpha [ C16 H28 O5, overall=73.47, db=73.47, Lipid ID=LMFA03010213, METLIN ID=74978 ]			Tetranor-PGF1alpha +4.7539997	+	317.2206	4.7539997	73.47		(318.2279, 4764.56)(319.2311, 1255.09)	FindByMolecularFeature	C16 H28 O5	2		LMFA03010213
TG(10:0/10:0/10:0)	TG(10:0/10:0/10:0) [ C33 H62 O6, overall=65.14, db=65.14, Lipid ID=LMGL03012617, CAS ID=621-71-6, METLIN ID=5532, HMP ID=HMDB00548 ]	621-71-6		TG(10:0/10:0/10:0)	+	571.4795	1.0174999	65.14		(572.4868, 4568.22)(573.4896, 1946.79)	FindByMolecularFeature	C33 H62 O6	2	HMDB00548	LMGL03012617
Thapsigargin	Thapsigargin [ C34 H50 O12, overall=59.01, db=59.01, KEGG ID=C09561, METLIN ID=41196 ]			Thapsigargin	+	650.3312	3.619	59.01	C09561	(651.3384, 1525.32)(652.3411, 1003.89)	FindByMolecularFeature	C34 H50 O12	2
Thiothixene	Thiothixene [ C23 H29 N3 O2 S2, overall=88.90, db=88.90, CAS ID=5591-45-7, KEGG ID=D00374, METLIN ID=43349 ]	5591-45-7		Thiothixene	+	465.1529	6.8815002	88.9	D00374	(466.1604, 7165.47)(467.1644, 1724.75)(468.1573, 1134.6)	FindByMolecularFeature	C23 H29 N3 O2 S2	2
Thr Gly Ser	Thr Gly Ser [ C9 H17 N3 O6, overall=57.82, db=57.82, METLIN ID=21596 ]			Thr Gly Ser	+	280.1359	4.5395	57.82		(281.1432, 14650.79)(282.1463, 2238.65)(283.1411, 1186.72)	FindByMolecularFeature	C9 H17 N3 O6	2
Thr Gly Ser +7.7	Thr Gly Ser [ C9 H17 N3 O6, overall=61.68, db=61.68, METLIN ID=21596 ]			Thr Gly Ser +7.7	+	280.1358	7.7	61.68		(281.1431, 9871.78)(282.147, 1618.42)	FindByMolecularFeature	C9 H17 N3 O6	2
Thr Ile	Thr Ile [ C10 H20 N2 O4, overall=67.06, db=67.06, METLIN ID=23987 ]			Thr Ile	+	232.1432	7.8190002	67.06		(233.1501, 3676.77)(234.1476, 678.9)	FindByMolecularFeature	C10 H20 N2 O4	2
Tolnaftate	Tolnaftate [ C19 H17 N O S, overall=89.05, db=89.05, CAS ID=2398-96-1, METLIN ID=43356 ]	2398-96-1		Tolnaftate	+	329.0836	1.3050001	89.05		(330.0909, 12622.57)(331.0961, 2714.44)(332.0932, 1088.74)	FindByMolecularFeature	C19 H17 N O S	2
Toluene +1.144	Toluene [ C7 H8, overall=47.61, db=47.61, CAS ID=108-88-3, KEGG ID=C01455, METLIN ID=65600 ]	108-88-3		Toluene +1.144	+	70.08	1.144	47.61	C01455	(93.0699, 5816.5)(163.147, 3607.24)(71.0858, 1394.79)	FindByMolecularFeature	C7 H8	2
Totarol-19-Carboxylic Acid +1.8885	Totarol-19-Carboxylic Acid [ C20 H28 O3, overall=54.80, db=54.80, CAS ID=, METLIN ID=44467 ]			Totarol-19-Carboxylic Acid +1.8885	+	338.1844	1.8885	54.8		(339.1916, 4663.39)(340.1948, 1910.74)	FindByMolecularFeature	C20 H28 O3	2
Toxoflavine	Toxoflavine [ C7 H7 N5 O2, overall=47.66, db=47.66, CAS ID=84-82-2, KEGG ID=C16789, METLIN ID=71343 ]	84-82-2		Toxoflavine	+	193.0608	2.4134998	47.66	C16789	(194.0681, 6193.55)(195.074, 1308.64)	FindByMolecularFeature	C7 H7 N5 O2	2
Trandolaprilat	Trandolaprilat [ C22 H30 N2 O5, overall=74.13, db=74.13, CAS ID=87679-71-8, METLIN ID=2888 ]	87679-71-8		Trandolaprilat	+	419.2413	6.4715	74.13		(420.2486, 4758.81)(421.2529, 1516.28)	FindByMolecularFeature	C22 H30 N2 O5	2
Triazamate	Triazamate [ C13 H22 N4 O3 S, overall=97.63, db=97.63, CAS ID=112143-82-5, KEGG ID=C18770, METLIN ID=72541 ]	112143-82-5		Triazamate	+	314.1412	5.4755	97.63	C18770	(315.1484, 14831.16)(316.1518, 2367.12)(317.1491, 1008.52)	FindByMolecularFeature	C13 H22 N4 O3 S	2
Triazamate +8.6145	Triazamate [ C13 H22 N4 O3 S, overall=99.48, db=99.48, CAS ID=112143-82-5, KEGG ID=C18770, METLIN ID=72541 ]	112143-82-5		Triazamate +8.6145	+	314.1411	8.6145	99.48	C18770	(315.1484, 36806.41)(316.1513, 6461.28)(317.1479, 2456.96)(318.1598, 273.98)	FindByMolecularFeature	C13 H22 N4 O3 S	2
Tricaine +7.3739996	Tricaine [ C9 H11 N O2, overall=85.95, db=85.95, CAS ID=582-33-2, KEGG ID=C18090, METLIN ID=72021 ]	582-33-2		Tricaine +7.3739996	+	165.0792	7.3739996	85.95	C18090	(166.0865, 7523.38)(167.0903, 857.23)	FindByMolecularFeature	C9 H11 N O2	2
Trichostatin A +6.1394997	Trichostatin A [ C17 H22 N2 O3, overall=63.30, db=63.30, Lipid ID=LMPK01000055, CAS ID=58880-19-6, METLIN ID=46755 ]	58880-19-6		Trichostatin A +6.1394997	+	319.1889	6.1394997	63.3		(320.1971, 2809.23)(321.1988, 954.64)	FindByMolecularFeature	C17 H22 N2 O3	2		LMPK01000055
Trichothecin	Trichothecin [ C19 H24 O5, overall=72.77, db=72.77, CAS ID=6379-69-7, KEGG ID=C09742, METLIN ID=67917 ]	6379-69-7		Trichothecin	+	332.1634	1.856	72.77	C09742	(333.1707, 4843.0)(334.1766, 1032.98)	FindByMolecularFeature	C19 H24 O5	2
Tridesacetoxykhivorin	Tridesacetoxykhivorin [ C26 H36 O7, overall=66.07, db=66.07, CAS ID=, METLIN ID=43773 ]			Tridesacetoxykhivorin	+	460.246	1.3635	66.07		(461.2533, 3266.49)(462.256, 1343.41)	FindByMolecularFeature	C26 H36 O7	2
Trillenogenin	Trillenogenin [ C26 H36 O8, overall=42.93, db=42.93, Lipid ID=LMST01080047, METLIN ID=84204 ]			Trillenogenin	+	476.2409	2.0809999	42.93		(477.2479, 6099.17)(478.2526, 1640.92)(479.2627, 1032.99)(494.275, 8266.29)(495.2653, 4241.92)(496.2828, 1656.68)	FindByMolecularFeature	C26 H36 O8	2		LMST01080047
Trimedlure	Trimedlure [ C12 H21 Cl O2, overall=48.63, db=48.63, CAS ID=12002-53-8, METLIN ID=43901 ]	12002-53-8		Trimedlure	+	254.103	1.7075	48.63		(255.1103, 2946.75)(256.1189, 1033.48)	FindByMolecularFeature	C12 H21 Cl O2	2
Triprolidine	Triprolidine [ C19 H22 N2, overall=41.15, db=41.15, CAS ID=486-12-4, METLIN ID=2969 ]	486-12-4		Triprolidine	+	295.2076	7.7345	41.15		(296.215, 77516.95)(297.2173, 6310.89)(591.4209, 7256.75)(592.4244, 2583.7)(593.4267, 953.24)	FindByMolecularFeature	C19 H22 N2	2
Troglitazone sulfate +1.0325	Troglitazone sulfate [ C24 H27 N O8 S2, overall=24.34, db=24.34, CAS ID=107187-86-0, METLIN ID=2972 ]	107187-86-0		Troglitazone sulfate +1.0325	+	521.1167	1.0325	24.34		(522.1215, 7133.13)(539.1486, 14569.35)(540.1456, 9278.92)(541.1445, 3709.29)(542.1416, 1149.15)	FindByMolecularFeature	C24 H27 N O8 S2	2
Tromethamine +6.3055	Tromethamine [ C4 H11 N O3, overall=74.98, db=74.98, CAS ID=, KEGG ID=C07182, METLIN ID=43366 ]			Tromethamine +6.3055	+	121.0734	6.3055	74.98	C07182	(122.0807, 12394.6)(123.0897, 982.73)	FindByMolecularFeature	C4 H11 N O3	2
Trp Trp	Trp Trp [ C22 H22 N4 O3, overall=57.10, db=57.10, METLIN ID=23891 ]			Trp Trp	+	390.1694	2.865	57.1		(391.1766, 2475.88)(392.1759, 960.55)	FindByMolecularFeature	C22 H22 N4 O3	2
Trp Val Pro	Trp Val Pro [ C21 H28 N4 O4, overall=96.32, db=96.32, METLIN ID=20272 ]			Trp Val Pro	+	400.21	1.109	96.32		(423.203, 854.24)(401.2172, 6591.41)(402.2225, 1796.02)(403.2296, 694.39)(418.2438, 130187.01)(419.2472, 30266.31)(420.2503, 5463.38)(421.2523, 1425.2)	FindByMolecularFeature	C21 H28 N4 O4	2
Tuliposide A	Tuliposide A [ C11 H18 O8, overall=81.01, db=81.01, CAS ID=19870-30-5, KEGG ID=C08561, METLIN ID=67065 ]	19870-30-5		Tuliposide A	+	295.1269	7.008	81.01	C08561	(296.1342, 6687.79)(297.1388, 1022.29)	FindByMolecularFeature	C11 H18 O8	2
Tumonoic Acid D	Tumonoic Acid D [ C16 H29 N O3, overall=99.78, db=99.78, METLIN ID=65438 ]			Tumonoic Acid D	+	300.2415	6.3765	99.78		(301.2488, 236897.64)(302.2519, 44424.56)(303.2546, 5679.79)(304.2583, 959.23)	FindByMolecularFeature	C16 H29 N O3	2
Tussilagine	Tussilagine [ C10 H17 N O3, overall=53.91, db=53.91, CAS ID=80151-77-5, KEGG ID=C10411, METLIN ID=68315 ]	80151-77-5		Tussilagine	+	199.121	1.3225	53.91	C10411	(222.1139, 855.81)(200.1283, 6113.44)(201.1288, 1692.1)	FindByMolecularFeature	C10 H17 N O3	2
Tyr Leu Val	Tyr Leu Val [ C20 H31 N3 O5, overall=80.51, db=80.51, METLIN ID=15886 ]			Tyr Leu Val	+	415.2075	1.1345	80.51		(416.2148, 42921.1)(417.2179, 8216.88)	FindByMolecularFeature	C20 H31 N3 O5	2
Tyr Met Glu +6.5425	Tyr Met Glu [ C19 H27 N3 O7 S, overall=61.95, db=61.95, METLIN ID=17013 ]			Tyr Met Glu +6.5425	+	458.183	6.5425	61.95		(459.1903, 3031.93)(460.1937, 1106.3)	FindByMolecularFeature	C19 H27 N3 O7 S	2
Tyr Tyr	Tyr Tyr [ C18 H20 N2 O5, overall=63.90, db=63.90, METLIN ID=23766 ]			Tyr Tyr	+	344.1346	2.942	63.9		(345.1418, 4920.85)(346.1465, 1206.03)	FindByMolecularFeature	C18 H20 N2 O5	2
Tyr Tyr Lys	Tyr Tyr Lys [ C24 H32 N4 O6, overall=75.96, db=75.96, METLIN ID=23500 ]			Tyr Tyr Lys	+	472.2319	5.467	75.96		(473.2387, 4923.73)(474.2422, 1603.8)	FindByMolecularFeature	C24 H32 N4 O6	2
Tyramine-O-sulfate	Tyramine-O-sulfate [ C8 H11 N O4 S, overall=70.27, db=70.27, CAS ID=30223-92-8, METLIN ID=58408, HMP ID=HMDB06409 ]	30223-92-8		Tyramine-O-sulfate	+	217.0412	1.503	70.27		(218.0485, 7114.15)(219.0497, 984.61)	FindByMolecularFeature	C8 H11 N O4 S	2	HMDB06409
Ubisemiquinone	Ubisemiquinone [ C59 H90 O4, overall=91.25, db=91.25, CAS ID=27696-12-4, METLIN ID=6506, HMP ID=HMDB02139 ]	27696-12-4		Ubisemiquinone	+	879.7095	1.051	91.25		(880.7167, 3498.73)(881.72, 2226.51)(882.7253, 967.84)	FindByMolecularFeature	C59 H90 O4	2	HMDB02139
Val Arg Cys	Val Arg Cys [ C14 H28 N6 O4 S, overall=69.05, db=69.05, METLIN ID=18924 ]			Val Arg Cys	+	376.1897	5.6844997	69.05		(377.197, 9218.82)(378.1998, 967.11)	FindByMolecularFeature	C14 H28 N6 O4 S	2
Val Arg Val	Val Arg Val [ C16 H32 N6 O4, overall=53.82, db=53.82, METLIN ID=20255 ]			Val Arg Val	+	372.2503	1.402	53.82		(395.2424, 987.0)(373.258, 1201.14)(390.284, 4747.47)(391.2845, 2009.31)	FindByMolecularFeature	C16 H32 N6 O4	2
Val Gly Val	Val Gly Val [ C12 H23 N3 O4, overall=47.11, db=47.11, METLIN ID=23531 ]			Val Gly Val	+	273.1696	6.6665	47.11		(296.1577, 1522.16)(274.1765, 1771.69)	FindByMolecularFeature	C12 H23 N3 O4	2
Val His Lys	Val His Lys [ C17 H30 N6 O4, overall=65.45, db=65.45, METLIN ID=23511 ]			Val His Lys	+	404.2139	5.7905	65.45		(405.2204, 4214.43)(406.2197, 914.76)	FindByMolecularFeature	C17 H30 N6 O4	2
Val Phe Val	Val Phe Val [ C19 H29 N3 O4, overall=81.67, db=81.67, METLIN ID=20337 ]			Val Phe Val	+	363.2159	1.9990001	81.67		(364.2232, 12835.19)(365.226, 3286.21)	FindByMolecularFeature	C19 H29 N3 O4	2
Val Phe Val +2.0945	Val Phe Val [ C19 H29 N3 O4, overall=75.66, db=75.66, METLIN ID=20337 ]			Val Phe Val +2.0945	+	363.216	2.0945	75.66		(364.2233, 12688.71)(365.2263, 3715.74)	FindByMolecularFeature	C19 H29 N3 O4	2
Verapamil	Verapamil [ C27 H38 N2 O4, overall=98.88, db=98.88, CAS ID=52-53-9, KEGG ID=C07188, METLIN ID=3009, HMP ID=HMDB01850 ]	52-53-9		Verapamil	+	454.2835	3.9984999	98.88	C07188	(477.2732, 2099.7)(478.2753, 761.96)(455.2911, 464035.2)(456.2938, 143027.84)(457.2958, 26958.83)(458.2961, 4108.69)(459.3032, 330.62)	FindByMolecularFeature	C27 H38 N2 O4	2	HMDB01850
VPGPR Enterostatin +8.0585	VPGPR Enterostatin [ C23 H40 N8 O6, overall=37.45, db=37.45, CAS ID=144964-56-7, METLIN ID=58161, HMP ID=HMDB03577 ]	144964-56-7		VPGPR Enterostatin +8.0585	+	541.3294	8.0585	37.45		(542.3367, 4896.0)(543.3388, 612.83)	FindByMolecularFeature	C23 H40 N8 O6	2	HMDB03577
W123 +4.6785	W123 [ C17 H26 N2 O3, overall=79.88, db=79.88, METLIN ID=64710 ]			W123 +4.6785	+	306.1942	4.6785	79.88		(307.2015, 7249.15)(308.2055, 1760.53)	FindByMolecularFeature	C17 H26 N2 O3	2
W123 +7.462	W123 [ C17 H26 N2 O3, overall=83.48, db=83.48, METLIN ID=64710 ]			W123 +7.462	+	306.1943	7.462	83.48		(307.2016, 10469.62)(308.2047, 2364.12)	FindByMolecularFeature	C17 H26 N2 O3	2
W123 +7.5655003	W123 [ C17 H26 N2 O3, overall=70.27, db=70.27, METLIN ID=64710 ]			W123 +7.5655003	+	306.1937	7.5655003	70.27		(307.201, 3644.59)(308.2057, 1032.24)	FindByMolecularFeature	C17 H26 N2 O3	2
Westiellamide	Westiellamide [ C27 H42 N6 O6, overall=45.12, db=45.12, CAS ID=131998-54-4, KEGG ID=C15739, METLIN ID=71070 ]	131998-54-4		Westiellamide	+	546.3201	4.4455004	45.12	C15739	(547.3274, 2693.69)(548.3301, 1329.54)	FindByMolecularFeature	C27 H42 N6 O6	2
Zalcitabine	Zalcitabine [ C9 H13 N3 O3, overall=84.99, db=84.99, CAS ID=7481-89-2, KEGG ID=C07207, METLIN ID=3061 ]	7481-89-2		Zalcitabine	+	211.096	7.8085003	84.99	C07207	(212.1032, 7080.51)(213.105, 889.03)	FindByMolecularFeature	C9 H13 N3 O3	2
Zaprinast +6.545	Zaprinast [ C13 H13 N5 O2, overall=79.65, db=79.65, CAS ID=37762-06-4, METLIN ID=44292 ]	37762-06-4		Zaprinast +6.545	+	271.106	6.545	79.65		(272.1133, 4226.41)(273.1181, 762.01)	FindByMolecularFeature	C13 H13 N5 O2	2
Z-Arg-Arg-NHMec	Z-Arg-Arg-NHMec [ C30 H39 N9 O6, overall=59.90, db=59.90, CAS ID=88937-61-5, KEGG ID=C02334, METLIN ID=65750 ]	88937-61-5		Z-Arg-Arg-NHMec	+	638.3302	1.5239999	59.9	C02334	(639.3372, 2347.26)(640.3417, 1269.62)(641.3257, 725.61)	FindByMolecularFeature	C30 H39 N9 O6	2
Zinnolide +6.583	Zinnolide [ C15 H18 O5, overall=72.36, db=72.36, CAS ID=99257-12-2, KEGG ID=C09983, METLIN ID=68063 ]	99257-12-2		Zinnolide +6.583	+	295.1419	6.583	72.36	C09983	(296.1492, 14741.2)(297.153, 2843.55)(298.1511, 2100.08)	FindByMolecularFeature	C15 H18 O5	2
Zolpidem Metabolite II	Zolpidem Metabolite II [ C19 H19 N3 O3, overall=99.42, db=99.42, CAS ID=109461-15-6, METLIN ID=3073 ]	109461-15-6		Zolpidem Metabolite II	+	337.1426	3.834	99.42		(338.1499, 32481.42)(339.1532, 7545.05)(340.1556, 1233.67)	FindByMolecularFeature	C19 H19 N3 O3	2
(-)-Fusicoplagin A	(-)-Fusicoplagin A [ C24 H38 O7, overall=49.57, db=49.57, METLIN ID=53690 ]			(-)-Fusicoplagin A	+	455.2891	1.384	49.57		(456.2964, 2374.81)(457.2954, 1584.67)	FindByMolecularFeature	C24 H38 O7	1
(-)-Hygroline +5.039	(-)-Hygroline [ C8 H17 N O, overall=48.96, db=48.96, CAS ID=496-47-9, KEGG ID=C10152, METLIN ID=68157 ]	496-47-9		(-)-Hygroline +5.039	+	165.1156	5.039	48.96	C10152	(166.1228, 3998.43)(167.1182, 1520.29)	FindByMolecularFeature	C8 H17 N O	1
(-)-Sedamine	(-)-Sedamine [ C14 H21 N O, overall=77.25, db=77.25, CAS ID=497-88-1, KEGG ID=C10171, METLIN ID=64453 ]	497-88-1		(-)-Sedamine	+	241.1431	4.537	77.25	C10171	(242.1504, 5733.22)(243.1541, 1156.1)	FindByMolecularFeature	C14 H21 N O	1
(+)-Atherospermoline	(+)-Atherospermoline [ C36 H38 N2 O6, overall=60.10, db=60.10, CAS ID=21008-67-3, KEGG ID=C11141, METLIN ID=68871 ]	21008-67-3		(+)-Atherospermoline	+	616.2524	1.246	60.1	C11141	(617.2597, 1893.26)(618.2654, 899.37)	FindByMolecularFeature	C36 H38 N2 O6	1
(+)-Serradiol	(+)-Serradiol [ C20 H32 O2, overall=20.01, db=20.01, METLIN ID=53642 ]			(+)-Serradiol	+	304.2425	1.077	20.01		(327.2329, 1736.26)(305.2476, 1479.4)	FindByMolecularFeature	C20 H32 O2	1
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol +4.696	(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol [ C17 H27 N O3, overall=74.33, db=74.33, KEGG ID=C04875, METLIN ID=66272 ]			(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol +4.696	+	293.1987	4.696	74.33	C04875	(294.2059, 3514.98)(295.2105, 920.24)	FindByMolecularFeature	C17 H27 N O3	1
(±)8-gingerol +1.158	(±)8-gingerol [ C19 H30 O4, overall=47.30, db=47.30, CAS ID=77398-92-6, METLIN ID=84966 ]	77398-92-6		(±)8-gingerol +1.158	+	322.2156	1.158	47.3		(345.2086, 1147.91)(323.222, 1414.24)(340.2476, 1085.57)	FindByMolecularFeature	C19 H30 O4	1
(±)-Ibuprofen +1.336	(±)-Ibuprofen [ C13 H18 O2, overall=47.01, db=47.01, CAS ID=15687-27-1, KEGG ID=C01588, METLIN ID=572, HMP ID=HMDB01925 ]	15687-27-1		(±)-Ibuprofen +1.336	+	206.1306	1.336	47.01	C01588	(207.1376, 2196.13)(413.269, 1445.08)(414.2774, 667.72)	FindByMolecularFeature	C13 H18 O2	1	HMDB01925
(10S)-Juvenile hormone III acid diol +1.689	(10S)-Juvenile hormone III acid diol [ C15 H26 O4, overall=58.36, db=58.36, CAS ID=, KEGG ID=C16506, METLIN ID=64602 ]			(10S)-Juvenile hormone III acid diol +1.689	+	270.1826	1.689	58.36	C16506	(271.1899, 2216.75)(272.1943, 927.56)	FindByMolecularFeature	C15 H26 O4	1
(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester	(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester [ C13 H15 N2 O2, overall=62.26, db=62.26, CAS ID=819850-13-0, METLIN ID=44983 ]	819850-13-0		(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester	+	231.1116	2.75	62.26		(232.1188, 2765.89)(233.1235, 631.51)	FindByMolecularFeature	C13 H15 N2 O2	1
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid +1.657	(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ C14 H24 O3, overall=69.19, db=69.19, Lipid ID=LMFA02010016, METLIN ID=74961 ]			(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid +1.657	+	240.1734	1.657	69.19		(241.1807, 5361.2)(242.1808, 1179.64)	FindByMolecularFeature	C14 H24 O3	1		LMFA02010016
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid +4.813	(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ C14 H24 O3, overall=49.87, db=49.87, Lipid ID=LMFA02010016, METLIN ID=74961 ]			(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid +4.813	+	257.1992	4.813	49.87		(258.2065, 2755.07)(259.2049, 864.54)	FindByMolecularFeature	C14 H24 O3	1		LMFA02010016
(1S,2S)-3-oxo-2-pentyl-cyclopentanehexanoic acid	(1S,2S)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, overall=42.88, db=42.88, Lipid ID=LMFA02010015, METLIN ID=74960 ]			(1S,2S)-3-oxo-2-pentyl-cyclopentanehexanoic acid	+	273.1587	1.124	42.88		(274.1637, 1099.21)(291.1942, 1220.6)	FindByMolecularFeature	C16 H28 O3	1		LMFA02010015
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +1.34	(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid [ C24 H40 O5, overall=15.09, db=15.09, METLIN ID=42694 ]			(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +1.34	+	408.2842	1.34	15.09		(431.2722, 1343.77)(409.2933, 1312.27)	FindByMolecularFeature	C24 H40 O5	1
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-27-oyl taurine	(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-27-oyl taurine [ C29 H51 N O7 S, overall=63.51, db=63.51, Lipid ID=LMST05040007, METLIN ID=57993 ]			(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-27-oyl taurine	+	557.3384	3.649	63.51		(580.3273, 1365.14)(558.3457, 1239.41)(575.3723, 2557.03)(576.3774, 960.64)	FindByMolecularFeature	C29 H51 N O7 S	1		LMST05040007
(3Z)-Phytochromobilin +1.17	(3Z)-Phytochromobilin [ C33 H36 N4 O6, overall=46.69, db=46.69, CAS ID=, KEGG ID=C05913, METLIN ID=63938 ]			(3Z)-Phytochromobilin +1.17	+	292.1318	1.17	46.69	C05913	(293.1386, 834.82)(585.2715, 1095.03)	FindByMolecularFeature	C33 H36 N4 O6	1
(4OH,8Z,t18:1) sphingosine +1.29	(4OH,8Z,t18:1) sphingosine [ C18 H37 N O3, overall=75.58, db=75.58, Lipid ID=LMSP01080009, METLIN ID=53909 ]			(4OH,8Z,t18:1) sphingosine +1.29	+	315.2774	1.29	75.58		(316.2847, 3416.58)(317.2839, 718.56)	FindByMolecularFeature	C18 H37 N O3	1		LMSP01080009
(R)-(+)-2-Pyrrolidone-5-carboxylic acid	(R)-(+)-2-Pyrrolidone-5-carboxylic acid [ C5 H7 N O3, overall=47.53, db=47.53, CAS ID=4042-36-8, KEGG ID=C02237, METLIN ID=63632, HMP ID=HMDB00805 ]	4042-36-8		(R)-(+)-2-Pyrrolidone-5-carboxylic acid	+	129.0427	7.082	47.53	C02237	(130.051, 3039.03)(147.0763, 11596.38)	FindByMolecularFeature	C5 H7 N O3	1	HMDB00805
(R,S)-Nicotine	(R,S)-Nicotine [ C10 H14 N2, overall=57.13, db=57.13, CAS ID=22083-74-5, KEGG ID=C16150, METLIN ID=63872 ]	22083-74-5		(R,S)-Nicotine	+	184.0964	7.368	57.13	C16150	(185.1037, 3290.8)(186.1115, 799.5)(187.1083, 1117.92)	FindByMolecularFeature	C10 H14 N2	1
(S)-(-)-1,1'-Bi-2-naphthol	(S)-(-)-1,1'-Bi-2-naphthol [ C20 H14 O2, overall=80.13, db=80.13, CAS ID=18531-99-2, METLIN ID=63041 ]	18531-99-2		(S)-(-)-1,1'-Bi-2-naphthol	+	286.0986	6.4	80.13		(287.1059, 3926.0)(288.1092, 1004.9)	FindByMolecularFeature	C20 H14 O2	1
(S)-Piperidine-2-carboxamide +9.334	(S)-Piperidine-2-carboxamide [ C6 H12 N2 O, overall=68.48, db=68.48, KEGG ID=C19809, METLIN ID=73373 ]			(S)-Piperidine-2-carboxamide +9.334	+	128.0947	9.334	68.48	C19809	(129.102, 6352.21)(130.1042, 1064.58)	FindByMolecularFeature	C6 H12 N2 O	1
?-3 Arachidonic Acid ethyl ester	?-3 Arachidonic Acid ethyl ester [ C22 H36 O2, overall=58.37, db=58.37, CAS ID=123940-93-2, METLIN ID=45179 ]	123940-93-2		?-3 Arachidonic Acid ethyl ester	+	332.2736	1.244	58.37		(355.2627, 5690.94)(356.2662, 2033.53)(333.2813, 1344.79)	FindByMolecularFeature	C22 H36 O2	1
?-Alanyl-L-arginine	?-Alanyl-L-arginine [ C9 H19 N5 O3, overall=58.32, db=58.32, CAS ID=, KEGG ID=C05340, METLIN ID=63571 ]			?-Alanyl-L-arginine	+	245.1458	7.778	58.32	C05340	(246.1531, 8128.27)(247.1557, 1249.98)	FindByMolecularFeature	C9 H19 N5 O3	1
?-Glutamyl-?-aminobutyraldehyde	?-Glutamyl-?-aminobutyraldehyde [ C9 H16 N2 O4, overall=75.86, db=75.86, CAS ID=, KEGG ID=C15700, METLIN ID=63481 ]			?-Glutamyl-?-aminobutyraldehyde	+	216.111	6.748	75.86	C15700	(217.1183, 5094.47)(218.1174, 659.39)	FindByMolecularFeature	C9 H16 N2 O4	1
?-Glutamyl-?-aminobutyraldehyde +3.302	?-Glutamyl-?-aminobutyraldehyde [ C9 H16 N2 O4, overall=47.25, db=47.25, CAS ID=, KEGG ID=C15700, METLIN ID=63481 ]			?-Glutamyl-?-aminobutyraldehyde +3.302	+	216.1106	3.302	47.25	C15700	(239.0992, 599.37)(217.118, 4184.25)	FindByMolecularFeature	C9 H16 N2 O4	1
?-PHENYL-gamma-Aminobutyric Acid +1.473	?-PHENYL-gamma-Aminobutyric Acid [ C10 H13 N O2, overall=86.00, db=86.00, CAS ID=1078-21-3, METLIN ID=73557 ]	1078-21-3		?-PHENYL-gamma-Aminobutyric Acid +1.473	+	179.0951	1.473	86		(180.1024, 51332.79)(181.1059, 6013.08)	FindByMolecularFeature	C10 H13 N O2	1
?-vinyl acrylic acid	?-vinyl acrylic acid [ C5 H6 O2, overall=20.43, db=20.43, Lipid ID=LMFA01030099, METLIN ID=34777 ]			?-vinyl acrylic acid	+	98.0385	1.305	20.43		(99.0464, 2656.31)(197.0823, 2114.85)	FindByMolecularFeature	C5 H6 O2	1		LMFA01030099
1-(3-Aminopropyl)-4-aminobutanal +2.719	1-(3-Aminopropyl)-4-aminobutanal [ C7 H16 N2 O, overall=79.22, db=79.22, CAS ID=, KEGG ID=, METLIN ID=62806, HMP ID=HMDB12135 ]			1-(3-Aminopropyl)-4-aminobutanal +2.719	+	144.1262	2.719	79.22		(145.1334, 5108.88)(146.1353, 668.1)	FindByMolecularFeature	C7 H16 N2 O	1	HMDB12135
1-(5-Hydroxy-2-pyrimidinyl)piperazine +2.067	1-(5-Hydroxy-2-pyrimidinyl)piperazine [ C8 H12 N4 O, overall=56.63, db=56.63, CAS ID=55745-85-2, METLIN ID=1453 ]	55745-85-2		1-(5-Hydroxy-2-pyrimidinyl)piperazine +2.067	+	202.0826	2.067	56.63		(203.0899, 3418.78)(204.098, 731.32)	FindByMolecularFeature	C8 H12 N4 O	1
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide +2.863	1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide [ C11 H16 N2 O5, overall=62.89, db=62.89, KEGG ID=C15497, METLIN ID=62397, HMP ID=HMDB11648 ]			1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide +2.863	+	256.1063	2.863	62.89	C15497	(257.1136, 2494.8)(258.1167, 690.74)	FindByMolecularFeature	C11 H16 N2 O5	1	HMDB11648
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide +3.215	1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide [ C11 H16 N2 O5, overall=52.73, db=52.73, KEGG ID=C15497, METLIN ID=62397, HMP ID=HMDB11648 ]			1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide +3.215	+	256.1065	3.215	52.73	C15497	(257.1138, 3098.91)(258.1131, 937.6)	FindByMolecularFeature	C11 H16 N2 O5	1	HMDB11648
1,1,2-Triphenylpropane +1.262	1,1,2-Triphenylpropane [ C21 H20, overall=67.30, db=67.30, CAS ID=94871-36-0, KEGG ID=C14278, METLIN ID=69935 ]	94871-36-0		1,1,2-Triphenylpropane +1.262	+	272.1561	1.262	67.3	C14278	(295.1464, 2752.56)(296.149, 960.91)(273.1619, 1571.91)	FindByMolecularFeature	C21 H20	1
1,1-Bis(4-hydroxyphenyl)ethane	1,1-Bis(4-hydroxyphenyl)ethane [ C14 H14 O2, overall=23.89, db=23.89, KEGG ID=C14349, METLIN ID=69984 ]			1,1-Bis(4-hydroxyphenyl)ethane	+	214.0974	3.772	23.89	C14349	(237.0883, 1001.64)(215.104, 1771.82)	FindByMolecularFeature	C14 H14 O2	1
1,1-Diphenyl-2-(4-methoxyphenyl)propene +6.267	1,1-Diphenyl-2-(4-methoxyphenyl)propene [ C22 H20 O, overall=71.18, db=71.18, KEGG ID=C15179, METLIN ID=70669 ]			1,1-Diphenyl-2-(4-methoxyphenyl)propene +6.267	+	322.1352	6.267	71.18	C15179	(323.1425, 4164.27)(324.1411, 1132.94)	FindByMolecularFeature	C22 H20 O	1
1,2,3,4-Tetrahydro-2-[(isopropylamino)methyl]-7-nitro-6-quinolinecarboxylic acid	1,2,3,4-Tetrahydro-2-[(isopropylamino)methyl]-7-nitro-6-quinolinecarboxylic acid [ C14 H19 N3 O4, overall=50.53, db=50.53, CAS ID=36596-24-4, METLIN ID=1674 ]	36596-24-4		1,2,3,4-Tetrahydro-2-[(isopropylamino)methyl]-7-nitro-6-quinolinecarboxylic acid	+	315.1165	2.294	50.53		(316.1238, 2142.9)(317.1365, 841.55)	FindByMolecularFeature	C14 H19 N3 O4	1
1,2-Epoxybutane	1,2-Epoxybutane [ C4 H8 O, overall=34.72, db=34.72, CAS ID=106-88-7, KEGG ID=C19237, METLIN ID=72960 ]	106-88-7		1,2-Epoxybutane	+	72.057	1.112	34.72	C19237	(167.1029, 2118.1)(73.0648, 866.75)	FindByMolecularFeature	C4 H8 O	1
1,2-Epoxybutane +1.281	1,2-Epoxybutane [ C4 H8 O, overall=14.11, db=14.11, CAS ID=106-88-7, KEGG ID=C19237, METLIN ID=72960 ]	106-88-7		1,2-Epoxybutane +1.281	+	72.0565	1.281	14.11	C19237	(167.1016, 1817.34)(73.0647, 976.33)	FindByMolecularFeature	C4 H8 O	1
1,3,5-Trimethoxybenzene	1,3,5-Trimethoxybenzene [ C9 H12 O3, overall=57.36, db=57.36, CAS ID=621-23-8, METLIN ID=43830 ]	621-23-8		1,3,5-Trimethoxybenzene	+	168.079	1.123	57.36		(169.0863, 3401.02)(170.0885, 1047.63)	FindByMolecularFeature	C9 H12 O3	1
1,7-Dihydroxytacrine	1,7-Dihydroxytacrine [ C13 H14 N2 O2, overall=52.56, db=52.56, CAS ID=150566-12-4, METLIN ID=2625 ]	150566-12-4		1,7-Dihydroxytacrine	+	230.1041	1.454	52.56		(231.1114, 2033.21)(232.1196, 657.79)	FindByMolecularFeature	C13 H14 N2 O2	1
1,8-Diazacyclotetradecane-2,9-dione +5.534	1,8-Diazacyclotetradecane-2,9-dione [ C12 H22 N2 O2, overall=49.79, db=49.79, KEGG ID=C04277, METLIN ID=66151 ]			1,8-Diazacyclotetradecane-2,9-dione +5.534	+	226.1679	5.534	49.79	C04277	(227.1752, 3463.4)(228.1752, 1106.67)	FindByMolecularFeature	C12 H22 N2 O2	1
1?,3?,4?-p-menthane-3,8-diol	1?,3?,4?-p-menthane-3,8-diol [ C10 H20 O2, overall=47.62, db=47.62, METLIN ID=53310 ]			1?,3?,4?-p-menthane-3,8-diol	+	172.1464	1.163	47.62		(367.2826, 967.69)(173.1536, 3611.52)	FindByMolecularFeature	C10 H20 O2	1
10-[3]-ladderane-decanoic acid	10-[3]-ladderane-decanoic acid [ C22 H36 O2, overall=71.19, db=71.19, Lipid ID=LMFA01140012, METLIN ID=45894 ]			10-[3]-ladderane-decanoic acid	+	354.2535	1.476	71.19		(355.2608, 2790.79)(356.2649, 948.2)	FindByMolecularFeature	C22 H36 O2	1		LMFA01140012
1001.2779@1.008				1001.2779@1.008	+	1001.2779	1.008			(1002.2852, 6863.15)(1003.285, 3015.75)(1004.2808, 1087.89)	FindByMolecularFeature		1
1003.2756@1.011				1003.2756@1.011	+	1003.2756	1.011			(1004.2829, 2382.28)(1005.2751, 1024.45)	FindByMolecularFeature		1
1027.0562@1.08				1027.0562@1.08	+	1027.0562	1.08			(1028.0634, 2307.81)(1029.0677, 747.91)	FindByMolecularFeature		1
1053.2872@1.176				1053.2872@1.176	+	1053.2872	1.176			(1054.2944, 1283.6)(1055.295, 630.48)(1056.294, 1136.12)	FindByMolecularFeature		1
1058.2789@1.035				1058.2789@1.035	+	1058.2789	1.035			(1059.2863, 4109.22)(1060.2875, 2210.13)(1061.2815, 1003.35)	FindByMolecularFeature		1
1072.2983@1.006				1072.2983@1.006	+	1072.2983	1.006			(1073.3057, 1721.05)(1074.3066, 1327.45)(1075.3041, 1003.44)	FindByMolecularFeature		1
10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid +1.1	10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid [ C12 H20 O3, overall=42.47, db=42.47, Lipid ID=LMFA01030787, METLIN ID=45792 ]			10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid +1.1	+	212.1422	1.1	42.47		(213.1496, 1864.57)(230.1752, 1162.86)(442.3189, 1059.66)	FindByMolecularFeature	C12 H20 O3	1		LMFA01030787
10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid +1.513	10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid [ C12 H20 O3, overall=52.56, db=52.56, Lipid ID=LMFA01030787, METLIN ID=45792 ]			10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid +1.513	+	212.1421	1.513	52.56		(213.1496, 2160.41)(214.1451, 600.48)(425.2894, 695.36)	FindByMolecularFeature	C12 H20 O3	1		LMFA01030787
10-keto stearic acid +1.135	10-keto stearic acid [ C18 H34 O3, overall=41.41, db=41.41, Lipid ID=LMFA01060066, METLIN ID=35760 ]			10-keto stearic acid +1.135	+	298.2502	1.135	41.41		(321.2401, 960.91)(299.2567, 1268.5)(316.2845, 1190.23)	FindByMolecularFeature	C18 H34 O3	1		LMFA01060066
10-nitro-9E-octadecenoic acid	10-nitro-9E-octadecenoic acid [ C18 H33 N O4, overall=55.46, db=55.46, Lipid ID=LMFA01120003, METLIN ID=74886 ]			10-nitro-9E-octadecenoic acid	+	349.2211	5.543	55.46		(350.2283, 7162.74)(351.2345, 722.11)	FindByMolecularFeature	C18 H33 N O4	1		LMFA01120003
11(S)-HEPE +1.099	11(S)-HEPE [ C20 H30 O3, overall=37.28, db=37.28, METLIN ID=45644 ]			11(S)-HEPE +1.099	+	318.2179	1.099	37.28		(319.2249, 2204.33)(336.2521, 1951.03)	FindByMolecularFeature	C20 H30 O3	1
113.12@5.499				113.12@5.499	+	113.12	5.499			(114.1273, 4088.35)(115.1297, 956.93)	FindByMolecularFeature		1
1132.2731@1.008				1132.2731@1.008	+	1132.2731	1.008			(1133.2804, 2173.46)(1134.2794, 2366.44)(1135.2771, 1285.17)	FindByMolecularFeature		1
1133.2693@1.007				1133.2693@1.007	+	1133.2693	1.007			(1134.2766, 1879.98)(1135.2786, 1247.42)	FindByMolecularFeature		1
1146.3192@1.007				1146.3192@1.007	+	1146.3192	1.007			(1147.3265, 2218.5)(1148.3231, 1902.1)(1149.3254, 1412.88)	FindByMolecularFeature		1
1149.3143@1.007				1149.3143@1.007	+	1149.3143	1.007			(1150.3217, 6017.59)(1151.3204, 2917.75)(1152.3204, 1555.46)(1153.3154, 711.2)	FindByMolecularFeature		1
115.0705@6.058				115.0705@6.058	+	115.0705	6.058			(253.1303, 2798.81)(116.0777, 5184.4)	FindByMolecularFeature		1
1150.3134@1.006				1150.3134@1.006	+	1150.3134	1.006			(1151.3207, 2546.8)(1152.3193, 1273.34)	FindByMolecularFeature		1
11-acetoxy-3beta,6alpha-dihydroxy-24-methyl-9,11-seco-5alpha-cholesta-7,24(28)-dien-9-one	11-acetoxy-3beta,6alpha-dihydroxy-24-methyl-9,11-seco-5alpha-cholesta-7,24(28)-dien-9-one [ C30 H48 O5, overall=38.74, db=38.74, Lipid ID=LMST01031103, METLIN ID=84053 ]			11-acetoxy-3beta,6alpha-dihydroxy-24-methyl-9,11-seco-5alpha-cholesta-7,24(28)-dien-9-one	+	488.3471	1.333	38.74		(511.3358, 1289.16)(489.3553, 1524.76)	FindByMolecularFeature	C30 H48 O5	1		LMST01031103
11E,13-Tetradecadienyl acetate	11E,13-Tetradecadienyl acetate [ C16 H28 O2, overall=48.96, db=48.96, Lipid ID=LMFA05000332, METLIN ID=46283 ]			11E,13-Tetradecadienyl acetate	+	252.2085	1.073	48.96		(253.2157, 3418.44)(254.2165, 1277.68)	FindByMolecularFeature	C16 H28 O2	1		LMFA05000332
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid	11-hydroperoxy-12,13-epoxy-9-octadecenoic acid [ C18 H32 O5, overall=56.30, db=56.30, METLIN ID=35354 ]			11-hydroperoxy-12,13-epoxy-9-octadecenoic acid	+	345.2528	1.177	56.3		(346.2601, 1967.05)(347.2622, 826.45)	FindByMolecularFeature	C18 H32 O5	1
11-Ketoetiocholanolone +1.17	11-Ketoetiocholanolone [ C19 H28 O3, overall=50.00, db=50.00, Lipid ID=LMST02020087, KEGG ID=C14671, METLIN ID=57821 ]			11-Ketoetiocholanolone +1.17	+	304.2026	1.17	50	C14671	(305.2099, 2060.59)(306.2182, 1015.38)	FindByMolecularFeature	C19 H28 O3	1		LMST02020087
11-Ketoetiocholanolone +1.264	11-Ketoetiocholanolone [ C19 H28 O3, overall=36.12, db=36.12, Lipid ID=LMST02020087, KEGG ID=C14671, METLIN ID=57821 ]			11-Ketoetiocholanolone +1.264	+	321.2314	1.264	36.12	C14671	(322.2387, 2171.3)(323.2407, 894.39)(324.2387, 4264.24)(325.2398, 1055.82)	FindByMolecularFeature	C19 H28 O3	1		LMST02020087
11-lauroleic acid +1.42	11-lauroleic acid [ C12 H22 O2, overall=48.22, db=48.22, Lipid ID=LMFA01030043, METLIN ID=34732 ]			11-lauroleic acid +1.42	+	198.1621	1.42	48.22		(199.1693, 2047.54)(200.1692, 698.12)	FindByMolecularFeature	C12 H22 O2	1		LMFA01030043
12?-Hydroxy-3,6-dioxo-5?-cholan-24-oic Acid	12?-Hydroxy-3,6-dioxo-5?-cholan-24-oic Acid [ C24 H36 O5, overall=54.22, db=54.22, METLIN ID=43005 ]			12?-Hydroxy-3,6-dioxo-5?-cholan-24-oic Acid	+	202.1283	1.247	54.22		(203.1363, 906.97)(405.2634, 2050.81)(406.2691, 1195.52)	FindByMolecularFeature	C24 H36 O5	1
1210.8988@1.105				1210.8988@1.105	+	1210.8988	1.105			(1211.906, 1051.57)(1212.9054, 1641.93)(1213.9052, 1163.34)	FindByMolecularFeature		1
1211.8973@1.105				1211.8973@1.105	+	1211.8973	1.105			(1212.9045, 1893.59)(1213.9073, 929.38)(1214.9052, 722.97)	FindByMolecularFeature		1
123.0174@7.352				123.0174@7.352	+	123.0174	7.352			(124.0246, 4479.82)(125.0259, 1223.41)	FindByMolecularFeature		1
1241.7944@1.001				1241.7944@1.001	+	1241.7944	1.001			(1242.8016, 1360.01)(1243.8062, 1361.86)	FindByMolecularFeature		1
1245.7539@5.673				1245.7539@5.673	+	1245.7539	5.673			(1246.7611, 3367.66)(1247.764, 918.2)	FindByMolecularFeature		1
1277.3217@1.041				1277.3217@1.041	+	1277.3217	1.041			(1278.329, 1538.49)(1279.3334, 1084.16)(1280.3302, 1193.79)	FindByMolecularFeature		1
1277.3423@1.288				1277.3423@1.288	+	1277.3423	1.288			(1278.3496, 1239.27)(1279.3506, 931.2)(1280.3514, 643.04)	FindByMolecularFeature		1
1295.353@1.013				1295.353@1.013	+	1295.353	1.013			(1296.3604, 3266.68)(1297.3589, 2369.72)(1298.3589, 1564.59)	FindByMolecularFeature		1
1297.3525@1.012				1297.3525@1.012	+	1297.3525	1.012			(1298.3597, 1610.61)(1299.3569, 1057.96)	FindByMolecularFeature		1
12-methyl-10-oxo-tridecanoic acid	12-methyl-10-oxo-tridecanoic acid [ C14 H26 O3, overall=64.24, db=64.24, METLIN ID=35786 ]			12-methyl-10-oxo-tridecanoic acid	+	264.1703	7.54	64.24		(265.1776, 2734.42)(266.1758, 622.47)	FindByMolecularFeature	C14 H26 O3	1
12R-HETrE	12R-HETrE [ C20 H34 O3, overall=47.62, db=47.62, Lipid ID=LMFA03050012, METLIN ID=36270 ]			12R-HETrE	+	322.2511	1.115	47.62		(345.2416, 787.16)(323.2581, 1638.98)	FindByMolecularFeature	C20 H34 O3	1		LMFA03050012
12S-acetoxy-punaglandin 5 +1.088	12S-acetoxy-punaglandin 5 [ C27 H37 Cl O9, overall=51.47, db=51.47, Lipid ID=LMFA03120042, METLIN ID=36425 ]			12S-acetoxy-punaglandin 5 +1.088	+	562.1927	1.088	51.47		(563.2, 3203.27)(564.2025, 1185.64)	FindByMolecularFeature	C27 H37 Cl O9	1		LMFA03120042
12S-acetoxy-punaglandin 5 +1.128	12S-acetoxy-punaglandin 5 [ C27 H37 Cl O9, overall=44.75, db=44.75, Lipid ID=LMFA03120042, METLIN ID=36425 ]			12S-acetoxy-punaglandin 5 +1.128	+	562.1926	1.128	44.75		(563.1999, 2149.23)(564.2012, 1265.01)	FindByMolecularFeature	C27 H37 Cl O9	1		LMFA03120042
131.0945@4.845				131.0945@4.845	+	131.0945	4.845			(132.1017, 2932.91)(133.1048, 769.65)(134.0962, 1964.83)	FindByMolecularFeature		1
134.1134@4.946				134.1134@4.946	+	134.1134	4.946			(135.1206, 5993.79)(136.1215, 1138.88)	FindByMolecularFeature		1
134.1136@5.718				134.1136@5.718	+	134.1136	5.718			(135.1209, 40439.51)(136.123, 4359.43)	FindByMolecularFeature		1
1347.7356@5.705				1347.7356@5.705	+	1347.7356	5.705			(1348.7429, 1557.63)(1349.7495, 609.43)	FindByMolecularFeature		1
1351.3395@1.067				1351.3395@1.067	+	1351.3395	1.067			(1352.3468, 870.68)(1353.3522, 1113.98)(1354.3486, 1127.56)	FindByMolecularFeature		1
1353.3618@1.332				1353.3618@1.332	+	1353.3618	1.332			(1354.3691, 1961.49)(1355.366, 1265.34)	FindByMolecularFeature		1
1370.3707@1.022				1370.3707@1.022	+	1370.3707	1.022			(1371.378, 1742.75)(1372.3756, 1385.97)(1373.3743, 971.45)	FindByMolecularFeature		1
1395.7415@5.699				1395.7415@5.699	+	1395.7415	5.699			(1396.7487, 1756.81)(1397.7499, 1442.27)	FindByMolecularFeature		1
13-Deoxytedanolide +1.468	13-Deoxytedanolide [ C32 H50 O10, overall=74.38, db=74.38, CAS ID=134455-11-1, KEGG ID=C16861, METLIN ID=71393 ]	134455-11-1		13-Deoxytedanolide +1.468	+	594.3408	1.468	74.38	C16861	(595.3481, 116367.66)(596.3516, 34369.23)	FindByMolecularFeature	C32 H50 O10	1
13-Deoxytedanolide +1.72	13-Deoxytedanolide [ C32 H50 O10, overall=71.83, db=71.83, CAS ID=134455-11-1, KEGG ID=C16861, METLIN ID=71393 ]	134455-11-1		13-Deoxytedanolide +1.72	+	611.3671	1.72	71.83	C16861	(612.3743, 6371.16)(613.3777, 2519.58)	FindByMolecularFeature	C32 H50 O10	1
1400W	1400W [ C10 H15 N3, overall=72.32, db=72.32, CAS ID=214358-33-5, METLIN ID=62976 ]	214358-33-5		1400W	+	194.1524	8.684	72.32		(195.1596, 2693.14)(196.1631, 533.77)	FindByMolecularFeature	C10 H15 N3	1
142.9516@6.887				142.9516@6.887	+	142.9516	6.887			(143.9589, 5625.89)(160.9854, 1205.14)	FindByMolecularFeature		1
143.1125@5.098				143.1125@5.098	+	143.1125	5.098			(144.1198, 3847.48)(145.1276, 674.25)	FindByMolecularFeature		1
1442.3931@1.036				1442.3931@1.036	+	1442.3931	1.036			(1443.4004, 1229.09)(1444.3962, 1293.75)(1445.4, 1096.05)	FindByMolecularFeature		1
149.1234@7.708				149.1234@7.708	+	149.1234	7.708			(150.1307, 28273.52)(151.1417, 1131.89)	FindByMolecularFeature		1
14R-hydroxy-11Z-eicosenoic acid	14R-hydroxy-11Z-eicosenoic acid [ C20 H38 O3, overall=46.18, db=46.18, METLIN ID=35612 ]			14R-hydroxy-11Z-eicosenoic acid	+	163.1414	1.151	46.18		(164.1497, 1207.49)(327.2887, 1322.57)	FindByMolecularFeature	C20 H38 O3	1
1516.41@1.063				1516.41@1.063	+	1516.41	1.063			(1517.4174, 1017.91)(1518.4149, 1015.11)(1519.419, 1031.2)	FindByMolecularFeature		1
152.1231@1.426				152.1231@1.426	+	152.1231	1.426			(153.1292, 1084.56)(305.2544, 3136.12)	FindByMolecularFeature		1
155.1383@5.681				155.1383@5.681	+	155.1383	5.681			(178.126, 1494.33)(156.1466, 1884.92)	FindByMolecularFeature		1
15-epi-15-A2c-IsoP	15-epi-15-A2c-IsoP [ C20 H30 O4, overall=70.99, db=70.99, Lipid ID=LMFA03110139, METLIN ID=75181 ]			15-epi-15-A2c-IsoP	+	334.2153	5.223	70.99		(335.2225, 7319.49)(336.2262, 973.97)	FindByMolecularFeature	C20 H30 O4	1		LMFA03110139
15-HETE-G	15-HETE-G [ C23 H38 O5, overall=47.65, db=47.65, Lipid ID=LMGL01010030, METLIN ID=75561 ]			15-HETE-G	+	394.2704	1.13	47.65		(395.2777, 3610.72)(396.2787, 1505.82)(412.3031, 687.4)	FindByMolecularFeature	C23 H38 O5	1		LMGL01010030
15-oxo-18Z-tetracosenoic acid	15-oxo-18Z-tetracosenoic acid [ C24 H44 O3, overall=78.37, db=78.37, Lipid ID=LMFA01060148, METLIN ID=74786 ]			15-oxo-18Z-tetracosenoic acid	+	380.329	1.058	78.37		(381.3359, 3921.64)(382.3354, 1701.01)(398.3631, 5446.2)(399.3649, 1625.97)(400.3714, 826.13)	FindByMolecularFeature	C24 H44 O3	1		LMFA01060148
15-Oxo-5?-cholan-24-oic Acid +1.051	15-Oxo-5?-cholan-24-oic Acid [ C24 H38 O3, overall=81.31, db=81.31, METLIN ID=42923 ]			15-Oxo-5?-cholan-24-oic Acid +1.051	+	374.2818	1.051	81.31		(375.2887, 1504.02)(392.3156, 28306.28)(393.3183, 6527.58)	FindByMolecularFeature	C24 H38 O3	1
15R-PGE2 methyl ester, 15-acetate	15R-PGE2 methyl ester, 15-acetate [ C23 H36 O6, overall=47.55, db=47.55, Lipid ID=LMFA03010201, METLIN ID=45956 ]			15R-PGE2 methyl ester, 15-acetate	+	408.2526	1.357	47.55		(409.2583, 1537.89)(426.2891, 1328.68)	FindByMolecularFeature	C23 H36 O6	1		LMFA03010201
16,16-dimethyl Prostaglandin E2 p-(p-acetamidobenzamido) phenyl ester	16,16-dimethyl Prostaglandin E2 p-(p-acetamidobenzamido) phenyl ester [ C37 H48 N2 O7, overall=61.66, db=61.66, CAS ID=62873-55-6, METLIN ID=45607 ]	62873-55-6		16,16-dimethyl Prostaglandin E2 p-(p-acetamidobenzamido) phenyl ester	+	654.328	1.096	61.66		(655.3353, 3831.49)(656.3363, 948.58)	FindByMolecularFeature	C37 H48 N2 O7	1
161.1611@9.131				161.1611@9.131	+	161.1611	9.131			(162.1684, 4562.53)(163.1721, 553.58)	FindByMolecularFeature		1
17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione	17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione [ C21 H27 F O4, overall=73.92, db=73.92, CAS ID=336-77-6, KEGG ID=C15309, METLIN ID=70782 ]	336-77-6		17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione	+	362.1877	1.568	73.92	C15309	(385.1778, 710.31)(363.195, 3023.49)(364.1985, 818.92)	FindByMolecularFeature	C21 H27 F O4	1
178.1038@6.612				178.1038@6.612	+	178.1038	6.612			(179.1111, 4365.88)(180.1098, 1463.98)	FindByMolecularFeature		1
17beta-Hydroxy-2-oxa-5alpha-androstan-3-one +1.125	17beta-Hydroxy-2-oxa-5alpha-androstan-3-one [ C18 H28 O3, overall=46.25, db=46.25, KEGG ID=C14911, METLIN ID=70413 ]			17beta-Hydroxy-2-oxa-5alpha-androstan-3-one +1.125	+	292.2049	1.125	46.25	C14911	(315.1964, 2072.48)(293.2105, 2987.79)	FindByMolecularFeature	C18 H28 O3	1
17beta-Methylestra-1,3,5(10)-trien-3-ol +7.948	17beta-Methylestra-1,3,5(10)-trien-3-ol [ C19 H26 O, overall=55.75, db=55.75, KEGG ID=C15020, METLIN ID=70515 ]			17beta-Methylestra-1,3,5(10)-trien-3-ol +7.948	+	292.1795	7.948	55.75	C15020	(293.1868, 2084.35)(294.1959, 712.27)	FindByMolecularFeature	C19 H26 O	1
17beta-Pyrazol-3-ylandrost-5-en-3beta-ol	17beta-Pyrazol-3-ylandrost-5-en-3beta-ol [ C22 H32 N2 O, overall=60.83, db=60.83, KEGG ID=C15197, METLIN ID=70685 ]			17beta-Pyrazol-3-ylandrost-5-en-3beta-ol	+	357.2749	1.053	60.83	C15197	(358.2822, 4355.4)(359.2858, 905.8)	FindByMolecularFeature	C22 H32 N2 O	1
17-hydroxyandrostane-3-glucuronide	17-hydroxyandrostane-3-glucuronide [ C25 H40 O9, overall=66.20, db=66.20, Lipid ID=LMST05010036, METLIN ID=57954 ]			17-hydroxyandrostane-3-glucuronide	+	506.2489	1.701	66.2		(507.2561, 2688.84)(508.2573, 963.11)	FindByMolecularFeature	C25 H40 O9	1		LMST05010036
17-oxo-20Z-hexacosenoic acid	17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, overall=75.20, db=75.20, Lipid ID=LMFA01060149, METLIN ID=74787 ]			17-oxo-20Z-hexacosenoic acid	+	408.3601	1.051	75.2		(409.3669, 2355.88)(410.3621, 1400.62)(426.3942, 4772.66)(427.3967, 1677.77)	FindByMolecularFeature	C26 H48 O3	1		LMFA01060149
181.1029@2.787				181.1029@2.787	+	181.1029	2.787			(182.1102, 2671.84)(183.108, 995.46)	FindByMolecularFeature		1
185.9734@7.173				185.9734@7.173	+	185.9734	7.173			(186.9807, 2730.87)(187.9831, 1092.75)	FindByMolecularFeature		1
185.9737@7.53				185.9737@7.53	+	185.9737	7.53			(186.981, 629.42)(187.9823, 630.95)(188.978, 537.67)	FindByMolecularFeature		1
187.0798@3.261				187.0798@3.261	+	187.0798	3.261			(188.0871, 2189.83)(189.0939, 832.5)	FindByMolecularFeature		1
19(R)-hydroxy-PGB2	19(R)-hydroxy-PGB2 [ C20 H30 O5, overall=59.71, db=59.71, Lipid ID=LMFA03010167, METLIN ID=36214 ]			19(R)-hydroxy-PGB2	+	350.2091	1.584	59.71		(351.2164, 1771.76)(352.2197, 873.73)	FindByMolecularFeature	C20 H30 O5	1		LMFA03010167
19-oxo-22Z-octacosenoic acid	19-oxo-22Z-octacosenoic acid [ C28 H52 O3, overall=68.44, db=68.44, Lipid ID=LMFA01060150, METLIN ID=74788 ]			19-oxo-22Z-octacosenoic acid	+	436.3905	1.049	68.44		(437.3968, 1755.38)(438.3963, 1034.26)(439.408, 1143.2)(454.4247, 3474.77)(455.4274, 1407.31)	FindByMolecularFeature	C28 H52 O3	1		LMFA01060150
1-Aminocyclohexanecarboxylic acid +6.065	1-Aminocyclohexanecarboxylic acid [ C7 H13 N O2, overall=62.03, db=62.03, CAS ID=2756-85-6, METLIN ID=6589, HMP ID=HMDB02279 ]	2756-85-6		1-Aminocyclohexanecarboxylic acid +6.065	+	143.0949	6.065	62.03		(144.1022, 7599.3)(145.1059, 1653.73)	FindByMolecularFeature	C7 H13 N O2	1	HMDB02279
1-Aminocyclohexanecarboxylic acid +7.973	1-Aminocyclohexanecarboxylic acid [ C7 H13 N O2, overall=67.08, db=67.08, CAS ID=2756-85-6, METLIN ID=6589, HMP ID=HMDB02279 ]	2756-85-6		1-Aminocyclohexanecarboxylic acid +7.973	+	143.0948	7.973	67.08		(144.1021, 7058.15)(145.1052, 1347.99)	FindByMolecularFeature	C7 H13 N O2	1	HMDB02279
1-Benzyl-1,2,3,4-tetrahydroisoquinoline	1-Benzyl-1,2,3,4-tetrahydroisoquinoline [ C16 H17 N, overall=32.89, db=32.89, CAS ID=19716-56-4, KEGG ID=C05201, METLIN ID=58208, HMP ID=HMDB04087 ]	19716-56-4		1-Benzyl-1,2,3,4-tetrahydroisoquinoline	+	223.1332	1.341	32.89	C05201	(224.1414, 1268.37)(447.2722, 1138.31)	FindByMolecularFeature	C16 H17 N	1	HMDB04087
1-Hexen-1-ol	1-Hexen-1-ol [ C6 H12 O, overall=43.55, db=43.55, Lipid ID=LMFA05000116, METLIN ID=46069 ]			1-Hexen-1-ol	+	122.0733	1.265	43.55		(123.0805, 4574.67)(124.0772, 1261.85)	FindByMolecularFeature	C6 H12 O	1		LMFA05000116
1H-Indole-3-acetic acid, 5-[[(methylamino)sulfonyl]methyl]- glucuronide	1H-Indole-3-acetic acid, 5-[[(methylamino)sulfonyl]methyl]- glucuronide [ C18 H22 N2 O10 S, overall=49.42, db=49.42, CAS ID=151751-50-7, METLIN ID=2614 ]	151751-50-7		1H-Indole-3-acetic acid, 5-[[(methylamino)sulfonyl]methyl]- glucuronide	+	458.102	2.941	49.42		(459.1093, 1776.07)(460.111, 960.07)	FindByMolecularFeature	C18 H22 N2 O10 S	1
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide +6.515	1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide [ C12 H15 N O, overall=35.16, db=35.16, KEGG ID=C04731, METLIN ID=66251 ]			1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide +6.515	+	189.1138	6.515	35.16	C04731	(212.1029, 3981.94)(190.1212, 1657.33)	FindByMolecularFeature	C12 H15 N O	1
1-Methylhypoxanthine +2.587	1-Methylhypoxanthine [ C6 H6 N4 O, overall=42.67, db=42.67, CAS ID=1125-39-9, METLIN ID=3779 ]	1125-39-9		1-Methylhypoxanthine +2.587	+	150.0543	2.587	42.67		(151.0616, 3800.21)(152.0716, 809.51)	FindByMolecularFeature	C6 H6 N4 O	1
1-Methylhypoxanthine +2.74	1-Methylhypoxanthine [ C6 H6 N4 O, overall=25.41, db=25.41, CAS ID=1125-39-9, METLIN ID=3779 ]	1125-39-9		1-Methylhypoxanthine +2.74	+	150.0551	2.74	25.41		(151.0624, 4852.72)(152.0704, 1656.19)	FindByMolecularFeature	C6 H6 N4 O	1
1-Naphthylamine +1.528	1-Naphthylamine [ C10 H9 N, overall=41.66, db=41.66, CAS ID=134-32-7, KEGG ID=C14790, METLIN ID=70324 ]	134-32-7		1-Naphthylamine +1.528	+	143.0737	1.528	41.66	C14790	(144.0818, 2616.73)(161.1057, 952.19)	FindByMolecularFeature	C10 H9 N	1
1-NBD-decanoyl-2-decanoyl-sn-Glycerol +3.287	1-NBD-decanoyl-2-decanoyl-sn-Glycerol [ C29 H46 N4 O8, overall=66.88, db=66.88, METLIN ID=62997 ]			1-NBD-decanoyl-2-decanoyl-sn-Glycerol +3.287	+	600.3153	3.287	66.88		(601.3226, 8642.26)(602.3269, 3137.43)	FindByMolecularFeature	C29 H46 N4 O8	1
1-Nitro-5,6-dihydroxy-dihydronaphthalene	1-Nitro-5,6-dihydroxy-dihydronaphthalene [ C10 H9 N O4, overall=62.21, db=62.21, KEGG ID=C14801, METLIN ID=70333 ]			1-Nitro-5,6-dihydroxy-dihydronaphthalene	+	207.0536	2.419	62.21	C14801	(208.0608, 5020.05)(209.0672, 966.45)	FindByMolecularFeature	C10 H9 N O4	1
1-Nitro-5,6-dihydroxy-dihydronaphthalene +2.098	1-Nitro-5,6-dihydroxy-dihydronaphthalene [ C10 H9 N O4, overall=80.89, db=80.89, KEGG ID=C14801, METLIN ID=70333 ]			1-Nitro-5,6-dihydroxy-dihydronaphthalene +2.098	+	207.0536	2.098	80.89	C14801	(208.0609, 4201.67)(209.0652, 599.42)	FindByMolecularFeature	C10 H9 N O4	1
1-O-[2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl]-D-myo-Inositol	1-O-[2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl]-D-myo-Inositol [ C14 H25 N O11, overall=65.42, db=65.42, KEGG ID=C19784, METLIN ID=73358 ]			1-O-[2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl]-D-myo-Inositol	+	405.1244	6.055	65.42	C19784	(406.1317, 4273.8)(407.1377, 1071.5)	FindByMolecularFeature	C14 H25 N O11	1
1-O-alpha-D-glucopyranosyl-1,2-eicosandiol	1-O-alpha-D-glucopyranosyl-1,2-eicosandiol [ C26 H52 O7, overall=57.27, db=57.27, Lipid ID=LMFA13010005, METLIN ID=46579 ]			1-O-alpha-D-glucopyranosyl-1,2-eicosandiol	+	249.1769	1.413	57.27		(250.1833, 810.93)(499.3617, 1049.34)(500.3637, 786.19)	FindByMolecularFeature	C26 H52 O7	1		LMFA13010005
1-Phenylbiguanide +6.426	1-Phenylbiguanide [ C8 H11 N5, overall=13.08, db=13.08, CAS ID=102-02-3, METLIN ID=44226 ]	102-02-3		1-Phenylbiguanide +6.426	+	177.103	6.426	13.08		(200.0926, 4376.78)(201.1028, 1328.07)(178.1093, 1290.2)	FindByMolecularFeature	C8 H11 N5	1
1-Pyrroline +5.592	1-Pyrroline [ C4 H7 N, overall=24.93, db=24.93, CAS ID=5724-81-2, KEGG ID=C15668, METLIN ID=71009 ]	5724-81-2		1-Pyrroline +5.592	+	69.0576	5.592	24.93	C15668	(70.0649, 3796.81)(71.0612, 1457.19)	FindByMolecularFeature	C4 H7 N	1
2-(1-Aziridinyl)ethanol +5.599	2-(1-Aziridinyl)ethanol [ C4 H9 N O, overall=82.25, db=82.25, CAS ID=1072-52-2, KEGG ID=C19332, METLIN ID=73039 ]	1072-52-2		2-(1-Aziridinyl)ethanol +5.599	+	87.0685	5.599	82.25	C19332	(88.0757, 90096.52)(89.0789, 7974.67)	FindByMolecularFeature	C4 H9 N O	1
2-(beta-D-Glucosyl)-sn-glycerol +3.324	2-(beta-D-Glucosyl)-sn-glycerol [ C9 H18 O8, overall=47.62, db=47.62, KEGG ID=C11546, METLIN ID=69092 ]			2-(beta-D-Glucosyl)-sn-glycerol +3.324	+	254.1002	3.324	47.62	C11546	(277.0894, 3484.04)(255.1078, 941.04)	FindByMolecularFeature	C9 H18 O8	1
2-(diethylamino)-4'-hydroxy-Propiophenone	2-(diethylamino)-4'-hydroxy-Propiophenone [ C13 H19 N O2, overall=71.07, db=71.07, CAS ID=18259-39-7, METLIN ID=2020 ]	18259-39-7		2-(diethylamino)-4'-hydroxy-Propiophenone	+	243.1221	6.281	71.07		(244.1294, 3198.73)(245.1351, 619.74)	FindByMolecularFeature	C13 H19 N O2	1
2,3,5-Trimethacarb +6.914	2,3,5-Trimethacarb [ C11 H15 N O2, overall=84.13, db=84.13, CAS ID=2655-15-4, KEGG ID=C18957, METLIN ID=72717 ]	2655-15-4		2,3,5-Trimethacarb +6.914	+	193.1106	6.914	84.13	C18957	(194.1179, 89735.14)(195.1212, 13949.79)	FindByMolecularFeature	C11 H15 N O2	1
2,3-Dihydroxynaphthalene +1.494	2,3-Dihydroxynaphthalene [ C10 H8 O2, overall=44.07, db=44.07, CAS ID=92-44-4, KEGG ID=C16213, METLIN ID=71154 ]	92-44-4		2,3-Dihydroxynaphthalene +1.494	+	177.0794	1.494	44.07	C16213	(178.0867, 3200.04)(179.093, 1048.11)	FindByMolecularFeature	C10 H8 O2	1
2,3-Diketo-13,14-dihydro-PGF1a	2,3-Diketo-13,14-dihydro-PGF1a [ C20 H30 O6, overall=72.63, db=72.63, CAS ID=, METLIN ID=2559 ]			2,3-Diketo-13,14-dihydro-PGF1a	+	366.204	1.413	72.63		(367.2113, 2871.63)(368.2122, 767.94)	FindByMolecularFeature	C20 H30 O6	1
2,3-dinor Thromboxane B1 +1.07	2,3-dinor Thromboxane B1 [ C18 H32 O6, overall=84.19, db=84.19, METLIN ID=44923 ]			2,3-dinor Thromboxane B1 +1.07	+	344.2204	1.07	84.19		(345.2283, 2146.78)(362.2541, 9386.45)(363.2574, 2590.91)(364.2547, 725.03)	FindByMolecularFeature	C18 H32 O6	1
2,4,7-tridecatrienal +1.107	2,4,7-tridecatrienal [ C13 H20 O, overall=16.75, db=16.75, Lipid ID=LMFA06000076, METLIN ID=75353 ]			2,4,7-tridecatrienal +1.107	+	192.1523	1.107	16.75		(193.1583, 884.26)(402.3398, 1509.13)	FindByMolecularFeature	C13 H20 O	1		LMFA06000076
2,4,7-tridecatrienal +1.464	2,4,7-tridecatrienal [ C13 H20 O, overall=43.59, db=43.59, Lipid ID=LMFA06000076, METLIN ID=75353 ]			2,4,7-tridecatrienal +1.464	+	209.1777	1.464	43.59		(210.185, 4120.39)(211.1815, 1151.95)	FindByMolecularFeature	C13 H20 O	1		LMFA06000076
2,4-heptadienal	2,4-heptadienal [ C7 H10 O, overall=47.54, db=47.54, Lipid ID=LMFA06000024, METLIN ID=75306 ]			2,4-heptadienal	+	110.073	1.128	47.54		(111.0797, 1622.69)(128.1071, 2030.01)(221.1532, 1212.8)	FindByMolecularFeature	C7 H10 O	1		LMFA06000024
2,4-octadienal	2,4-octadienal [ C8 H12 O, overall=44.59, db=44.59, Lipid ID=LMFA06000034, METLIN ID=36554 ]			2,4-octadienal	+	124.0884	1.185	44.59		(125.0954, 1547.03)(249.1846, 1122.73)	FindByMolecularFeature	C8 H12 O	1		LMFA06000034
2,5-undecadienal	2,5-undecadienal [ C11 H18 O, overall=52.56, db=52.56, METLIN ID=36588 ]			2,5-undecadienal	+	188.1176	7.075	52.56		(189.1249, 2043.07)(190.1302, 1096.27)	FindByMolecularFeature	C11 H18 O	1
2,5-undecadienal +6.441	2,5-undecadienal [ C11 H18 O, overall=50.74, db=50.74, METLIN ID=36588 ]			2,5-undecadienal +6.441	+	188.1168	6.441	50.74		(189.124, 2326.21)(190.134, 684.91)	FindByMolecularFeature	C11 H18 O	1
2,6-Diamino-4-nitrotoluene +4.256	2,6-Diamino-4-nitrotoluene [ C7 H9 N3 O2, overall=67.64, db=67.64, CAS ID=59229-75-3, KEGG ID=C16397, METLIN ID=71185 ]	59229-75-3		2,6-Diamino-4-nitrotoluene +4.256	+	184.0962	4.256	67.64	C16397	(185.1034, 4683.12)(186.1069, 878.99)	FindByMolecularFeature	C7 H9 N3 O2	1
2,6-Dimethoxyphenol	2,6-Dimethoxyphenol [ C8 H10 O3, overall=54.69, db=54.69, CAS ID=91-10-1, KEGG ID=C10787, METLIN ID=68578 ]	91-10-1		2,6-Dimethoxyphenol	+	154.0638	2.294	54.69	C10787	(155.0711, 3065.36)(156.075, 905.04)	FindByMolecularFeature	C8 H10 O3	1
208.1105@1.113				208.1105@1.113	+	208.1105	1.113			(209.1177, 2155.08)(210.125, 1107.13)(211.1108, 6781.13)	FindByMolecularFeature		1
20-HETE-d6	20-HETE-d6 [ C20 H26 D6 O3, overall=34.35, db=34.35, Lipid ID=LMFA03060082, METLIN ID=36334 ]			20-HETE-d6	+	326.2721	1.115	34.35		(327.2807, 872.75)(653.5507, 2334.06)	FindByMolecularFeature	C20 H26 D6 O3	1		LMFA03060082
215.0997@2.766				215.0997@2.766	+	215.0997	2.766			(216.107, 4629.06)(217.1072, 1073.4)(218.1035, 1532.56)	FindByMolecularFeature		1
231.1485@6.602				231.1485@6.602	+	231.1485	6.602			(232.1557, 2421.99)(233.166, 888.91)	FindByMolecularFeature		1
235.1428@6.762				235.1428@6.762	+	235.1428	6.762			(236.1501, 2249.5)(237.1636, 908.41)	FindByMolecularFeature		1
238.1474@1.508				238.1474@1.508	+	238.1474	1.508			(239.1547, 2424.25)(240.1562, 973.44)(241.1432, 1210.2)	FindByMolecularFeature		1
24,24-difluoro-1?,25-dihydroxyvitamin D3 / 24,24-difluoro-1?,25-dihydroxycholecalciferol	24,24-difluoro-1?,25-dihydroxyvitamin D3 / 24,24-difluoro-1?,25-dihydroxycholecalciferol [ C27 H42 F2 O3, overall=75.75, db=75.75, Lipid ID=LMST03020145, METLIN ID=42084 ]			24,24-difluoro-1?,25-dihydroxyvitamin D3 / 24,24-difluoro-1?,25-dihydroxycholecalciferol	+	474.2915	6.403	75.75		(475.2987, 7511.18)(476.3036, 1724.25)	FindByMolecularFeature	C27 H42 F2 O3	1		LMST03020145
244.2129@1.273				244.2129@1.273	+	244.2129	1.273			(245.2202, 2708.01)(246.2171, 1043.5)	FindByMolecularFeature		1
247.1517@1.14				247.1517@1.14	+	247.1517	1.14			(248.159, 1997.18)(249.1543, 965.12)	FindByMolecularFeature		1
26-Hydroxybrassinolide +1.102	26-Hydroxybrassinolide [ C28 H48 O7, overall=72.11, db=72.11, KEGG ID=C19874, METLIN ID=73406 ]			26-Hydroxybrassinolide +1.102	+	513.3668	1.102	72.11	C19874	(514.3741, 2740.55)(515.3784, 1022.27)	FindByMolecularFeature	C28 H48 O7	1
26-Hydroxybrassinolide +1.263	26-Hydroxybrassinolide [ C28 H48 O7, overall=59.39, db=59.39, KEGG ID=C19874, METLIN ID=73406 ]			26-Hydroxybrassinolide +1.263	+	518.3217	1.263	59.39	C19874	(519.329, 1589.71)(520.3323, 1130.37)	FindByMolecularFeature	C28 H48 O7	1
271.2262@6.196				271.2262@6.196	+	271.2262	6.196			(272.2335, 1892.68)(273.2344, 700.52)	FindByMolecularFeature		1
27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol +1.2	27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, overall=43.46, db=43.46, Lipid ID=LMST01010213, METLIN ID=57654 ]			27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol +1.2	+	230.1577	1.2	43.46		(231.1653, 1015.78)(461.3224, 1214.79)	FindByMolecularFeature	C26 H46 O5	1		LMST01010213
27-Norcholestanehexol +1.256	27-Norcholestanehexol [ C26 H46 O6, overall=38.15, db=38.15, Lipid ID=LMST04020029, METLIN ID=57911 ]			27-Norcholestanehexol +1.256	+	454.3309	1.256	38.15		(477.3208, 2389.48)(455.3364, 1394.07)(456.3304, 1187.24)(457.3456, 938.86)	FindByMolecularFeature	C26 H46 O6	1		LMST04020029
283.324@4.275				283.324@4.275	+	283.324	4.275			(284.3313, 2067.88)(285.3352, 978.17)	FindByMolecularFeature		1
289.1706@1.564				289.1706@1.564	+	289.1706	1.564			(290.1779, 2858.5)(291.1892, 1213.45)	FindByMolecularFeature		1
289.1889@1.64				289.1889@1.64	+	289.1889	1.64			(290.1961, 2457.41)(291.1987, 1073.98)	FindByMolecularFeature		1
2alpha,7beta,15beta,18-tetraacetoxy-cholest-5-en-3alpha-ol	2alpha,7beta,15beta,18-tetraacetoxy-cholest-5-en-3alpha-ol [ C35 H54 O9, overall=49.51, db=49.51, Lipid ID=LMST01010312, METLIN ID=83913 ]			2alpha,7beta,15beta,18-tetraacetoxy-cholest-5-en-3alpha-ol	+	635.4077	4.396	49.51		(636.4149, 1883.75)(637.419, 705.37)	FindByMolecularFeature	C35 H54 O9	1		LMST01010312
2alpha-Methylpregn-4-ene-3,20-dione	2alpha-Methylpregn-4-ene-3,20-dione [ C22 H32 O2, overall=46.03, db=46.03, CAS ID=2636-91-1, KEGG ID=C15116, METLIN ID=70608 ]	2636-91-1		2alpha-Methylpregn-4-ene-3,20-dione	+	164.1196	1.111	46.03	C15116	(165.1264, 601.7)(329.2468, 1285.31)	FindByMolecularFeature	C22 H32 O2	1
2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid	2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid [ C7 H13 N O5, overall=55.98, db=55.98, CAS ID=, KEGG ID=C16850, METLIN ID=63567 ]			2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid	+	191.0801	6.06	55.98	C16850	(214.0706, 968.53)(192.0872, 4031.98)(193.0926, 786.43)(194.0836, 774.6)	FindByMolecularFeature	C7 H13 N O5	1
2-Amino-3-methyl-1-butanol +5.621	2-Amino-3-methyl-1-butanol [ C5 H13 N O, overall=74.69, db=74.69, CAS ID=473-75-6, METLIN ID=44703 ]	473-75-6		2-Amino-3-methyl-1-butanol +5.621	+	103.0993	5.621	74.69		(104.1066, 6876.01)(105.1103, 849.83)	FindByMolecularFeature	C5 H13 N O	1
2-amino-4-cyano-butanoic acid	2-amino-4-cyano-butanoic acid [ C5 H8 N2 O2, overall=39.38, db=39.38, KEGG ID=C05717, METLIN ID=35948 ]			2-amino-4-cyano-butanoic acid	+	128.0591	2.709	39.38	C05717	(129.0664, 5254.72)(130.0613, 1714.52)	FindByMolecularFeature	C5 H8 N2 O2	1
2-amino-4'-hydroxy-Propiophenone	2-amino-4'-hydroxy-Propiophenone [ C9 H11 N O2, overall=57.99, db=57.99, CAS ID=18259-42-2, METLIN ID=2018 ]	18259-42-2		2-amino-4'-hydroxy-Propiophenone	+	182.1061	6.659	57.99		(183.1134, 3746.02)(184.1148, 989.34)	FindByMolecularFeature	C9 H11 N O2	1
2-amino-4'-hydroxy-Propiophenone +2.133	2-amino-4'-hydroxy-Propiophenone [ C9 H11 N O2, overall=64.56, db=64.56, CAS ID=18259-42-2, METLIN ID=2018 ]	18259-42-2		2-amino-4'-hydroxy-Propiophenone +2.133	+	182.106	2.133	64.56		(183.1132, 6180.55)(184.116, 1451.07)	FindByMolecularFeature	C9 H11 N O2	1
2-Amino-4-oxo-6-(erythro-1,2,3-trihydroxyprolyl)-7,8-dihydroxypteridine triphosphate +7.869	2-Amino-4-oxo-6-(erythro-1,2,3-trihydroxyprolyl)-7,8-dihydroxypteridine triphosphate [ C9 H16 N5 O15 P3, overall=24.89, db=24.89, METLIN ID=5984, HMP ID=HMDB01073 ]			2-Amino-4-oxo-6-(erythro-1,2,3-trihydroxyprolyl)-7,8-dihydroxypteridine triphosphate +7.869	+	526.9889	7.869	24.89		(527.9962, 2203.77)(529.0028, 962.74)	FindByMolecularFeature	C9 H16 N5 O15 P3	1	HMDB01073
2-amino-tetradecanoic acid	2-amino-tetradecanoic acid [ C14 H29 N O2, overall=42.89, db=42.89, Lipid ID=LMFA01100007, METLIN ID=74860 ]			2-amino-tetradecanoic acid	+	243.219	1.094	42.89		(244.2263, 2280.76)(245.2264, 817.43)	FindByMolecularFeature	C14 H29 N O2	1		LMFA01100007
2-amino-tetradecanoic acid +4.135	2-amino-tetradecanoic acid [ C14 H29 N O2, overall=46.10, db=46.10, Lipid ID=LMFA01100007, METLIN ID=74860 ]			2-amino-tetradecanoic acid +4.135	+	243.2209	4.135	46.1		(266.212, 1449.89)(244.2265, 1762.8)	FindByMolecularFeature	C14 H29 N O2	1		LMFA01100007
2-Benzimidazolylguanidine +7.707	2-Benzimidazolylguanidine [ C8 H9 N5, overall=34.02, db=34.02, CAS ID=5418-95-1, KEGG ID=C10898, METLIN ID=68668 ]	5418-95-1		2-Benzimidazolylguanidine +7.707	+	175.0878	7.707	34.02	C10898	(198.0792, 771.93)(176.0948, 6611.69)	FindByMolecularFeature	C8 H9 N5	1
2-Chloro-1,4-naphthoquinone	2-Chloro-1,4-naphthoquinone [ C10 H5 Cl O2, overall=57.08, db=57.08, CAS ID=1010-60-2, KEGG ID=C03753, METLIN ID=66036 ]	1010-60-2		2-Chloro-1,4-naphthoquinone	+	213.9801	13.421	57.08	C03753	(214.9873, 3973.22)(215.9915, 1515.61)	FindByMolecularFeature	C10 H5 Cl O2	1
2-Dehydro-3-deoxy-L-rhamnonate	2-Dehydro-3-deoxy-L-rhamnonate [ C6 H10 O5, overall=40.20, db=40.20, CAS ID=, KEGG ID=C03979, METLIN ID=63164 ]			2-Dehydro-3-deoxy-L-rhamnonate	+	162.0549	6.165	40.2	C03979	(163.0622, 3065.27)(164.0658, 814.81)	FindByMolecularFeature	C6 H10 O5	1
2-Deoxy-2-dimethylamino-alpha-D-Glucose	2-Deoxy-2-dimethylamino-alpha-D-Glucose [ C8 H17 N O5, overall=50.67, db=50.67, KEGG ID=C12067, METLIN ID=69286 ]			2-Deoxy-2-dimethylamino-alpha-D-Glucose	+	207.1112	6.314	50.67	C12067	(208.1185, 3066.0)(209.1242, 752.54)	FindByMolecularFeature	C8 H17 N O5	1
2-Ethyl-2-methyl-3-hydroxysuccinimide +2.755	2-Ethyl-2-methyl-3-hydroxysuccinimide [ C7 H11 N O3, overall=52.88, db=52.88, CAS ID=51822-59-4, METLIN ID=2596 ]	51822-59-4		2-Ethyl-2-methyl-3-hydroxysuccinimide +2.755	+	157.0744	2.755	52.88		(158.0817, 2882.1)(159.0819, 721.46)	FindByMolecularFeature	C7 H11 N O3	1
2H-Benzo[5,6]cyclohepta[1,2-b]pyridin-2-one, 8-chloro-1,5,6,11-tetrahydro-11-(4-piperidinylidene)-	2H-Benzo[5,6]cyclohepta[1,2-b]pyridin-2-one, 8-chloro-1,5,6,11-tetrahydro-11-(4-piperidinylidene)- [ C19 H19 Cl N2 O, overall=58.89, db=58.89, CAS ID=133330-64-0, METLIN ID=1026 ]	133330-64-0		2H-Benzo[5,6]cyclohepta[1,2-b]pyridin-2-one, 8-chloro-1,5,6,11-tetrahydro-11-(4-piperidinylidene)-	+	326.1182	5.571	58.89		(327.1254, 2563.28)(328.1289, 793.96)	FindByMolecularFeature	C19 H19 Cl N2 O	1
2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone +2.398	2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone [ C20 H20 O8, overall=73.64, db=73.64, Lipid ID=LMPK12111611, METLIN ID=50029 ]			2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone +2.398	+	388.1156	2.398	73.64		(389.1224, 840.43)(406.1495, 2324.94)(407.152, 686.66)	FindByMolecularFeature	C20 H20 O8	1		LMPK12111611
2-hydroxy-4- (methylthio) butyric acid +3.388	2-hydroxy-4- (methylthio) butyric acid [ C5 H10 O3 S, overall=77.14, db=77.14, CAS ID=4857-44-7, METLIN ID=44706 ]	4857-44-7		2-hydroxy-4- (methylthio) butyric acid +3.388	+	150.0355	3.388	77.14		(151.0428, 12355.83)(152.0451, 853.76)	FindByMolecularFeature	C5 H10 O3 S	1
2-Imino-4-methylpiperidine +4.792	2-Imino-4-methylpiperidine [ C6 H12 N2, overall=47.41, db=47.41, CAS ID=165383-72-2, METLIN ID=64866 ]	165383-72-2		2-Imino-4-methylpiperidine +4.792	+	112.1005	4.792	47.41		(135.0904, 1106.55)(113.1075, 2977.02)	FindByMolecularFeature	C6 H12 N2	1
2-methyl-3-Pyrimidin-2-yl-Propionic Acid	2-methyl-3-Pyrimidin-2-yl-Propionic Acid [ C8 H10 N2 O2, overall=55.11, db=55.11, METLIN ID=45030 ]			2-methyl-3-Pyrimidin-2-yl-Propionic Acid	+	166.0746	6.64	55.11		(167.0821, 4919.92)(168.0801, 1097.21)(184.1062, 980.01)	FindByMolecularFeature	C8 H10 N2 O2	1
2-methylbutanal oxime	2-methylbutanal oxime [ C5 H11 N O, overall=47.44, db=47.44, KEGG ID=C19491, METLIN ID=73185 ]			2-methylbutanal oxime	+	101.0841	9.06	47.44	C19491	(102.0915, 1638.29)(203.1752, 1279.76)	FindByMolecularFeature	C5 H11 N O	1
2-methyl-tridecanedioic acid +1.652	2-methyl-tridecanedioic acid [ C14 H26 O4, overall=60.00, db=60.00, Lipid ID=LMFA01170015, METLIN ID=74906 ]			2-methyl-tridecanedioic acid +1.652	+	258.1836	1.652	60		(259.1909, 3056.95)(260.1951, 970.89)	FindByMolecularFeature	C14 H26 O4	1		LMFA01170015
2-Oxo-6-methylthiohexanoic acid	2-Oxo-6-methylthiohexanoic acid [ C7 H12 O3 S, overall=86.71, db=86.71, CAS ID=, KEGG ID=C17216, METLIN ID=64495 ]			2-Oxo-6-methylthiohexanoic acid	+	176.0496	8.613	86.71	C17216	(177.0569, 8762.53)(178.0604, 749.36)(179.0526, 785.94)	FindByMolecularFeature	C7 H12 O3 S	1
2-oxo-docosanoic acid +4.595	2-oxo-docosanoic acid [ C22 H42 O3, overall=81.63, db=81.63, METLIN ID=35830 ]			2-oxo-docosanoic acid +4.595	+	371.3394	4.595	81.63		(372.3467, 2480.82)(373.3499, 673.98)	FindByMolecularFeature	C22 H42 O3	1
2-oxo-dodecanoic acid +1.218	2-oxo-dodecanoic acid [ C12 H22 O3, overall=47.54, db=47.54, METLIN ID=35780 ]			2-oxo-dodecanoic acid +1.218	+	214.1573	1.218	47.54		(451.3049, 912.5)(215.1643, 1800.3)	FindByMolecularFeature	C12 H22 O3	1
2R-aminoheptanoic acid +1.449	2R-aminoheptanoic acid [ C7 H15 N O2, overall=83.49, db=83.49, METLIN ID=35932 ]			2R-aminoheptanoic acid +1.449	+	145.1102	1.449	83.49		(146.1175, 6832.09)(147.1195, 698.53)	FindByMolecularFeature	C7 H15 N O2	1
2-Succinylbenzoate	2-Succinylbenzoate [ C11 H10 O5, overall=51.49, db=51.49, CAS ID=, KEGG ID=C02730, METLIN ID=63982 ]			2-Succinylbenzoate	+	239.0799	1.561	51.49	C02730	(240.0872, 4833.64)(241.098, 988.14)	FindByMolecularFeature	C11 H10 O5	1
3-(6'-Methylthio)hexylmalic acid +1.595	3-(6'-Methylthio)hexylmalic acid [ C11 H20 O5 S, overall=56.60, db=56.60, CAS ID=, KEGG ID=C17227, METLIN ID=64506 ]			3-(6'-Methylthio)hexylmalic acid +1.595	+	281.1278	1.595	56.6	C17227	(282.1351, 3286.62)(283.1475, 747.67)	FindByMolecularFeature	C11 H20 O5 S	1
3,3-Difluoro-5alpha-androstan-17beta-yl acetate	3,3-Difluoro-5alpha-androstan-17beta-yl acetate [ C21 H32 F2 O2, overall=54.25, db=54.25, CAS ID=1827-75-4, KEGG ID=C14477, METLIN ID=70090 ]	1827-75-4		3,3-Difluoro-5alpha-androstan-17beta-yl acetate	+	354.2373	1.337	54.25	C14477	(355.2453, 1521.34)(356.2495, 861.41)(372.2691, 804.15)	FindByMolecularFeature	C21 H32 F2 O2	1
3,4,5-Trimethoxytoluene +2.46	3,4,5-Trimethoxytoluene [ C10 H14 O3, overall=76.90, db=76.90, CAS ID=6443-69-2, KEGG ID=C17822, METLIN ID=71916 ]	6443-69-2		3,4,5-Trimethoxytoluene +2.46	+	204.0753	2.46	76.9	C17822	(205.0826, 5992.56)(206.0876, 887.27)	FindByMolecularFeature	C10 H14 O3	1
3,4-Dihydrospheroidenone	3,4-Dihydrospheroidenone [ C41 H60 O2, overall=45.79, db=45.79, Lipid ID=LMPR01070155, METLIN ID=41410 ]			3,4-Dihydrospheroidenone	+	601.49	1.106	45.79		(602.4973, 1867.43)(603.5005, 964.21)	FindByMolecularFeature	C41 H60 O2	1		LMPR01070155
3,4-Dihydroxy-3,4-dihydro-9-fluorenone	3,4-Dihydroxy-3,4-dihydro-9-fluorenone [ C13 H10 O3, overall=67.79, db=67.79, KEGG ID=C07722, METLIN ID=66726 ]			3,4-Dihydroxy-3,4-dihydro-9-fluorenone	+	231.0899	5.419	67.79	C07722	(232.0971, 3283.49)(233.0979, 747.56)	FindByMolecularFeature	C13 H10 O3	1
3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate +1.228	3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate [ C16 H24 O4, overall=47.12, db=47.12, CAS ID=141-37-7, KEGG ID=C19417, METLIN ID=73120 ]	141-37-7		3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate +1.228	+	140.0847	1.228	47.12	C19417	(141.0928, 1284.49)(281.1751, 1431.8)	FindByMolecularFeature	C16 H24 O4	1
3,5-dichlorosalicylic acid	3,5-dichlorosalicylic acid [ C7 H4 Cl2 O3, overall=51.52, db=51.52, CAS ID=320-72-9, METLIN ID=34508 ]	320-72-9		3,5-dichlorosalicylic acid	+	222.9816	4.077	51.52		(223.9889, 4930.85)(224.9907, 293.13)	FindByMolecularFeature	C7 H4 Cl2 O3	1
3,6-Dideoxy-L-galactose	3,6-Dideoxy-L-galactose [ C6 H12 O4, overall=46.06, db=46.06, KEGG ID=C03348, METLIN ID=65959 ]			3,6-Dideoxy-L-galactose	+	165.1015	6.063	46.06	C03348	(188.0918, 2564.68)(189.0893, 735.65)(166.1079, 2972.2)	FindByMolecularFeature	C6 H12 O4	1
3,6-dioxo-decanoic acid +1.368	3,6-dioxo-decanoic acid [ C10 H16 O4, overall=51.31, db=51.31, Lipid ID=LMFA01060079, METLIN ID=74717 ]			3,6-dioxo-decanoic acid +1.368	+	217.1314	1.368	51.31		(218.1387, 2843.67)(219.1385, 780.83)	FindByMolecularFeature	C10 H16 O4	1		LMFA01060079
3,7,23-Trioxo-5?-cholan-24-oic Acid	3,7,23-Trioxo-5?-cholan-24-oic Acid [ C24 H34 O5, overall=57.58, db=57.58, METLIN ID=42924 ]			3,7,23-Trioxo-5?-cholan-24-oic Acid	+	419.2708	1.574	57.58		(420.2781, 4170.89)(421.2766, 1214.79)	FindByMolecularFeature	C24 H34 O5	1
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.137	3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid [ C24 H38 O4, overall=68.68, db=68.68, KEGG ID=C11637, METLIN ID=42805 ]			3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.137	+	390.2755	1.137	68.68	C11637	(391.2837, 3345.72)(392.2868, 922.51)(408.3088, 4832.88)(409.3129, 1547.85)	FindByMolecularFeature	C24 H38 O4	1
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.527	3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid [ C24 H38 O4, overall=77.58, db=77.58, KEGG ID=C11637, METLIN ID=42805 ]			3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.527	+	390.2767	1.527	77.58	C11637	(391.284, 6308.92)(392.289, 1926.98)(393.2956, 776.46)(781.5607, 2008.24)(782.5637, 1470.66)	FindByMolecularFeature	C24 H38 O4	1
3?,12?-Dihydroxy-7-oxo-5?-cholestan-26-oic acid +1.326	3?,12?-Dihydroxy-7-oxo-5?-cholestan-26-oic acid [ C27 H44 O5, overall=72.61, db=72.61, METLIN ID=43065 ]			3?,12?-Dihydroxy-7-oxo-5?-cholestan-26-oic acid +1.326	+	448.3176	1.326	72.61		(449.3205, 1343.53)(466.3519, 8165.76)(467.3548, 2956.27)	FindByMolecularFeature	C27 H44 O5	1
3?,6?,7?,12?-Tetrahydroxy-5?-cholan-24-oic Acid +1.187	3?,6?,7?,12?-Tetrahydroxy-5?-cholan-24-oic Acid [ C24 H40 O6, overall=44.09, db=44.09, METLIN ID=42711 ]			3?,6?,7?,12?-Tetrahydroxy-5?-cholan-24-oic Acid +1.187	+	424.2828	1.187	44.09		(425.2901, 2117.9)(426.2982, 1045.01)	FindByMolecularFeature	C24 H40 O6	1
3?,6?,7?,12?-Tetrahydroxy-5?-cholan-24-oic Acid +4.138	3?,6?,7?,12?-Tetrahydroxy-5?-cholan-24-oic Acid [ C24 H40 O6, overall=58.13, db=58.13, METLIN ID=42711 ]			3?,6?,7?,12?-Tetrahydroxy-5?-cholan-24-oic Acid +4.138	+	441.3103	4.138	58.13		(442.3175, 1878.27)(443.3181, 816.41)	FindByMolecularFeature	C24 H40 O6	1
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +1.478	3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid [ C24 H38 O5, overall=97.69, db=97.69, METLIN ID=42887 ]			3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +1.478	+	423.2983	1.478	97.69		(424.3056, 30535.33)(425.3086, 7597.21)(426.3105, 1844.88)	FindByMolecularFeature	C24 H38 O5	1
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +1.518	3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid [ C24 H38 O5, overall=39.22, db=39.22, METLIN ID=42887 ]			3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +1.518	+	428.2548	1.518	39.22		(429.2621, 1966.34)(430.2703, 922.25)	FindByMolecularFeature	C24 H38 O5	1
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid +1.239	3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid [ C24 H36 O4, overall=36.49, db=36.49, METLIN ID=42956 ]			3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid +1.239	+	388.2608	1.239	36.49		(389.2681, 3170.99)(390.282, 1426.97)	FindByMolecularFeature	C24 H36 O4	1
3?-Hydroxy-5?-chol-7-en-24-oic Acid	3?-Hydroxy-5?-chol-7-en-24-oic Acid [ C24 H38 O3, overall=75.93, db=75.93, METLIN ID=42791 ]			3?-Hydroxy-5?-chol-7-en-24-oic Acid	+	396.2648	1.049	75.93		(397.2721, 3536.78)(398.2761, 1108.24)	FindByMolecularFeature	C24 H38 O3	1
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.246	3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid [ C24 H36 O3, overall=64.96, db=64.96, METLIN ID=42909 ]			3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.246	+	186.1334	1.246	64.96		(187.1401, 990.64)(373.2746, 4497.98)(374.2804, 1501.43)	FindByMolecularFeature	C24 H36 O3	1
302.1273@1.577				302.1273@1.577	+	302.1273	1.577			(303.1346, 2914.87)(304.1279, 994.46)(305.1198, 2867.37)(306.1255, 436.19)	FindByMolecularFeature		1
311.3548@4.219				311.3548@4.219	+	311.3548	4.219			(312.3621, 2001.63)(313.3655, 1042.95)	FindByMolecularFeature		1
329.2542@1.082				329.2542@1.082	+	329.2542	1.082			(330.2615, 2629.05)(331.2588, 939.28)(332.2468, 866.8)	FindByMolecularFeature		1
331.1064@1.439				331.1064@1.439	+	331.1064	1.439			(332.1137, 2084.79)(333.1292, 1135.38)	FindByMolecularFeature		1
331.9547@1.22				331.9547@1.22	+	331.9547	1.22			(332.962, 2268.03)(333.962, 968.28)	FindByMolecularFeature		1
333.2166@1.075				333.2166@1.075	+	333.2166	1.075			(334.2239, 2604.81)(335.2253, 1054.2)	FindByMolecularFeature		1
335.0071@2.902				335.0071@2.902	+	335.0071	2.902			(336.0144, 1947.21)(337.0163, 1299.71)	FindByMolecularFeature		1
336.877@2.163				336.877@2.163	+	336.877	2.163			(337.8843, 1579.04)(338.8844, 503.68)	FindByMolecularFeature		1
343.2212@1.071				343.2212@1.071	+	343.2212	1.071			(344.2285, 1488.13)(345.2351, 781.78)(346.225, 1233.17)	FindByMolecularFeature		1
360.2317@1.232				360.2317@1.232	+	360.2317	1.232			(361.239, 2173.44)(362.2529, 1214.06)	FindByMolecularFeature		1
363.1699@1.264				363.1699@1.264	+	363.1699	1.264			(364.1772, 2017.94)(365.1888, 968.78)	FindByMolecularFeature		1
384.3714@5.067				384.3714@5.067	+	384.3714	5.067			(385.3787, 2174.84)(386.382, 1443.75)	FindByMolecularFeature		1
385.3271@1.091				385.3271@1.091	+	385.3271	1.091			(386.3344, 1980.29)(387.3318, 1771.1)(388.3398, 1481.99)	FindByMolecularFeature		1
3-alpha,20-alpha-dihydroxy-5-beta-pregnane 3-glucuronide +6.516	3-alpha,20-alpha-dihydroxy-5-beta-pregnane 3-glucuronide [ C27 H44 O8, overall=67.57, db=67.57, KEGG ID=C03033, METLIN ID=61668, HMP ID=HMDB10352 ]			3-alpha,20-alpha-dihydroxy-5-beta-pregnane 3-glucuronide +6.516	+	496.3043	6.516	67.57	C03033	(497.3115, 9514.8)(498.3163, 1818.73)	FindByMolecularFeature	C27 H44 O8	1	HMDB10352
3alpha,7alpha,12alpha-Trihydroxy-5beta-23E-cholestan-26-oic acid +1.339	3alpha,7alpha,12alpha-Trihydroxy-5beta-23E-cholestan-26-oic acid [ C26 H42 O5, overall=42.00, db=42.00, Lipid ID=LMST04030199, METLIN ID=84887 ]			3alpha,7alpha,12alpha-Trihydroxy-5beta-23E-cholestan-26-oic acid +1.339	+	434.3024	1.339	42		(435.3097, 1834.8)(436.3212, 980.91)	FindByMolecularFeature	C26 H42 O5	1		LMST04030199
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide +2.199	3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide [ C25 H38 O8, overall=73.78, db=73.78, Lipid ID=LMST05010001, METLIN ID=84920 ]			3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide +2.199	+	466.2565	2.199	73.78		(467.2638, 3208.2)(468.2657, 1038.41)	FindByMolecularFeature	C25 H38 O8	1		LMST05010001
3-Amino-4-hydroxybenzoic acid	3-Amino-4-hydroxybenzoic acid [ C7 H7 N O3, overall=60.90, db=60.90, CAS ID=1571-72-8, KEGG ID=C12115, METLIN ID=69314 ]	1571-72-8		3-Amino-4-hydroxybenzoic acid	+	153.0425	7.066	60.9	C12115	(154.0497, 4629.78)(155.0535, 1100.64)	FindByMolecularFeature	C7 H7 N O3	1
3-Aminoquinoline	3-Aminoquinoline [ C9 H8 N2, overall=54.60, db=54.60, CAS ID=580-17-6, METLIN ID=4108 ]	580-17-6		3-Aminoquinoline	+	166.0502	1.985	54.6		(167.0575, 2627.89)(168.0661, 599.48)	FindByMolecularFeature	C9 H8 N2	1
3beta-Acetoxy-4-oplopanone	3beta-Acetoxy-4-oplopanone [ C17 H28 O4, overall=67.56, db=67.56, METLIN ID=53436 ]			3beta-Acetoxy-4-oplopanone	+	296.1989	1.181	67.56		(319.1881, 4103.5)(320.1911, 1267.67)(297.2065, 1193.06)	FindByMolecularFeature	C17 H28 O4	1
3-Buten-1-amine +5.163	3-Buten-1-amine [ C4 H9 N, overall=71.75, db=71.75, KEGG ID=C12244, METLIN ID=69390 ]			3-Buten-1-amine +5.163	+	71.0732	5.163	71.75	C12244	(72.0805, 7134.56)(73.0839, 893.82)	FindByMolecularFeature	C4 H9 N	1
3-Epimacronine	3-Epimacronine [ C18 H19 N O5, overall=71.43, db=71.43, KEGG ID=C12178, METLIN ID=69345 ]			3-Epimacronine	+	329.1266	4.153	71.43	C12178	(330.1339, 2686.65)(331.1359, 770.97)	FindByMolecularFeature	C18 H19 N O5	1
3-Hydroxy-1-indanone +1.078	3-Hydroxy-1-indanone [ C9 H8 O2, overall=71.68, db=71.68, CAS ID=26976-59-0, KEGG ID=C07720, METLIN ID=66724 ]	26976-59-0		3-Hydroxy-1-indanone +1.078	+	148.0526	1.078	71.68	C07720	(149.06, 6891.44)(150.0624, 1226.75)(166.0854, 1222.72)	FindByMolecularFeature	C9 H8 O2	1
3-hydroxy-dodecanedioic acid +1.497	3-hydroxy-dodecanedioic acid [ C12 H22 O5, overall=43.20, db=43.20, Lipid ID=LMFA01170089, METLIN ID=74935, HMP ID=HMDB00413 ]			3-hydroxy-dodecanedioic acid +1.497	+	246.1488	1.497	43.2		(269.137, 1246.93)(247.1578, 1105.03)	FindByMolecularFeature	C12 H22 O5	1	HMDB00413	LMFA01170089
3-Hydroxyisovalerylcarnitine +1.212	3-Hydroxyisovalerylcarnitine [ C12 H24 N O5, overall=28.31, db=28.31, CAS ID=, METLIN ID=6505, HMP ID=HMDB02138 ]			3-Hydroxyisovalerylcarnitine +1.212	+	244.1337	1.212	28.31		(245.1412, 1311.31)(262.1674, 1332.55)	FindByMolecularFeature	C12 H24 N O5	1	HMDB02138
3-Methoxyestra-1,3,5(10),16-tetraene +1.501	3-Methoxyestra-1,3,5(10),16-tetraene [ C19 H24 O, overall=79.55, db=79.55, KEGG ID=C15107, METLIN ID=70600 ]			3-Methoxyestra-1,3,5(10),16-tetraene +1.501	+	290.1636	1.501	79.55	C15107	(291.1709, 7726.5)(292.1739, 1817.56)	FindByMolecularFeature	C19 H24 O	1
3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol [ C21 H30 O, overall=63.40, db=63.40, KEGG ID=C15117, METLIN ID=70609 ]			3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol	+	320.2108	1.337	63.4	C15117	(321.2181, 2327.47)(322.2289, 712.47)	FindByMolecularFeature	C21 H30 O	1
3-Methylbutanamine +4.68	3-Methylbutanamine [ C5 H13 N, overall=59.49, db=59.49, CAS ID=107-85-7, KEGG ID=C02640, METLIN ID=65805 ]	107-85-7		3-Methylbutanamine +4.68	+	87.1047	4.68	59.49	C02640	(88.1119, 4486.61)(89.1153, 1189.71)	FindByMolecularFeature	C5 H13 N	1
3-Methyluridine	3-Methyluridine [ C10 H14 N2 O6, overall=52.94, db=52.94, CAS ID=2140-69-4, METLIN ID=7077, HMP ID=HMDB04813 ]	2140-69-4		3-Methyluridine	+	258.0864	3.147	52.94		(259.0937, 1548.94)(260.0946, 537.62)	FindByMolecularFeature	C10 H14 N2 O6	1	HMDB04813
3-O-Methylisoetharine	3-O-Methylisoetharine [ C14 H23 N O3, overall=50.01, db=50.01, CAS ID=32459-44-2, METLIN ID=845 ]	32459-44-2		3-O-Methylisoetharine	+	275.1478	6.066	50.01		(276.1551, 2289.27)(277.1674, 843.97)	FindByMolecularFeature	C14 H23 N O3	1
3-O-Methylrimiterol +6.508	3-O-Methylrimiterol [ C13 H19 N O3, overall=71.49, db=71.49, CAS ID=32459-45-3, METLIN ID=2336 ]	32459-45-3		3-O-Methylrimiterol +6.508	+	259.1176	6.508	71.49		(260.1249, 5380.37)(261.1289, 1229.28)	FindByMolecularFeature	C13 H19 N O3	1
3-oxohexacosanoic acid	3-oxohexacosanoic acid [ C26 H50 O3, overall=58.11, db=58.11, Lipid ID=LMFA01060181, METLIN ID=45864 ]			3-oxohexacosanoic acid	+	410.3753	1.118	58.11		(411.3826, 2086.39)(412.3858, 1343.91)	FindByMolecularFeature	C26 H50 O3	1		LMFA01060181
3-oxo-nonanoic acid +6.269	3-oxo-nonanoic acid [ C9 H16 O3, overall=71.90, db=71.90, METLIN ID=35844 ]			3-oxo-nonanoic acid +6.269	+	189.1369	6.269	71.9		(190.1442, 8975.27)(191.1478, 1661.02)	FindByMolecularFeature	C9 H16 O3	1
3R-hydroxy-tetradecanoic acid +1.247	3R-hydroxy-tetradecanoic acid [ C14 H28 O3, overall=58.13, db=58.13, METLIN ID=35675 ]			3R-hydroxy-tetradecanoic acid +1.247	+	244.2045	1.247	58.13		(245.2118, 2819.85)(246.2131, 874.12)	FindByMolecularFeature	C14 H28 O3	1
4-(dimethylamino)cinnamaldehyde	4-(dimethylamino)cinnamaldehyde [ C11 H13 N O, overall=52.98, db=52.98, CAS ID=6203-18-5, METLIN ID=85013 ]	6203-18-5		4-(dimethylamino)cinnamaldehyde	+	175.1004	5.083	52.98		(176.1077, 2814.88)(177.1081, 886.46)	FindByMolecularFeature	C11 H13 N O	1
4-(dimethylamino)cinnamaldehyde +4.675	4-(dimethylamino)cinnamaldehyde [ C11 H13 N O, overall=44.84, db=44.84, CAS ID=6203-18-5, METLIN ID=85013 ]	6203-18-5		4-(dimethylamino)cinnamaldehyde +4.675	+	175.1008	4.675	44.84		(176.108, 3665.37)(177.1136, 1030.26)	FindByMolecularFeature	C11 H13 N O	1
4-(Hydroxylamino)-N,N-dimethylaniline	4-(Hydroxylamino)-N,N-dimethylaniline [ C8 H12 N2 O, overall=58.75, db=58.75, KEGG ID=C19681, METLIN ID=73291 ]			4-(Hydroxylamino)-N,N-dimethylaniline	+	169.1213	3.439	58.75	C19681	(170.1285, 4147.86)(171.1346, 862.12)	FindByMolecularFeature	C8 H12 N2 O	1
4,4'-(Diphenylethenylidene)bis[N,N-dimethylbenzenamine]	4,4'-(Diphenylethenylidene)bis[N,N-dimethylbenzenamine] [ C30 H30 N2, overall=66.72, db=66.72, KEGG ID=C15021, METLIN ID=70516 ]			4,4'-(Diphenylethenylidene)bis[N,N-dimethylbenzenamine]	+	435.2665	1.244	66.72	C15021	(436.2738, 2178.06)(437.2771, 1171.51)(438.2841, 862.47)	FindByMolecularFeature	C30 H30 N2	1
4,4'-Sulfonyldiphenol	4,4'-Sulfonyldiphenol [ C12 H10 O4 S, overall=44.00, db=44.00, CAS ID=80-09-1, KEGG ID=C14216, METLIN ID=69883 ]	80-09-1		4,4'-Sulfonyldiphenol	+	250.0292	5.412	44	C14216	(523.049, 1373.18)(251.0363, 1957.03)	FindByMolecularFeature	C12 H10 O4 S	1
4,5'-Dimethylangelicin	4,5'-Dimethylangelicin [ C13 H10 O3, overall=49.61, db=49.61, CAS ID=4063-41-6, KEGG ID=C19405, METLIN ID=73108 ]	4063-41-6		4,5'-Dimethylangelicin	+	231.0902	3.577	49.61	C19405	(232.0975, 2382.4)(233.0927, 686.79)	FindByMolecularFeature	C13 H10 O3	1
4,5'-Dimethylangelicin +3.153	4,5'-Dimethylangelicin [ C13 H10 O3, overall=46.38, db=46.38, CAS ID=4063-41-6, KEGG ID=C19405, METLIN ID=73108 ]	4063-41-6		4,5'-Dimethylangelicin +3.153	+	231.0915	3.153	46.38	C19405	(232.0988, 2818.17)(233.0997, 1149.91)	FindByMolecularFeature	C13 H10 O3	1
4,7,10,13,16,19-Docosahexaynoic acid	4,7,10,13,16,19-Docosahexaynoic acid [ C22 H20 O2, overall=63.71, db=63.71, Lipid ID=LMFA01030677, METLIN ID=74278 ]			4,7,10,13,16,19-Docosahexaynoic acid	+	316.146	1.244	63.71		(317.1533, 2143.55)(318.1677, 545.68)	FindByMolecularFeature	C22 H20 O2	1		LMFA01030677
428.2357@1.239				428.2357@1.239	+	428.2357	1.239			(429.243, 1511.3)(430.2575, 900.2)	FindByMolecularFeature		1
428.3081@1.249				428.3081@1.249	+	428.3081	1.249			(429.3154, 1171.14)(430.3145, 644.95)	FindByMolecularFeature		1
432.7326@5.796				432.7326@5.796	+	432.7326	5.796			(433.7399, 4140.57)(434.7414, 1067.6)	FindByMolecularFeature		1
435.2141@1.434				435.2141@1.434	+	435.2141	1.434			(436.2213, 1771.02)(437.2352, 996.87)	FindByMolecularFeature		1
442.7669@5.706				442.7669@5.706	+	442.7669	5.706			(443.7742, 4805.8)(444.7792, 827.54)	FindByMolecularFeature		1
449.3015@1.175				449.3015@1.175	+	449.3015	1.175			(450.3088, 1517.17)(451.3088, 907.19)(452.3024, 1149.03)	FindByMolecularFeature		1
451.3874@1.205				451.3874@1.205	+	451.3874	1.205			(452.3946, 1981.78)(453.3942, 1091.77)	FindByMolecularFeature		1
464.7769@6.265				464.7769@6.265	+	464.7769	6.265			(465.7842, 1658.08)(466.7937, 959.5)	FindByMolecularFeature		1
473.3193@2.757				473.3193@2.757	+	473.3193	2.757			(474.3266, 1524.61)(475.3303, 974.29)	FindByMolecularFeature		1
473.7853@6.099				473.7853@6.099	+	473.7853	6.099			(474.7926, 6467.91)(475.7983, 594.55)	FindByMolecularFeature		1
480.1931@1.396				480.1931@1.396	+	480.1931	1.396			(481.2004, 1516.05)(482.2003, 841.57)(483.2113, 1014.28)	FindByMolecularFeature		1
488.8091@6.25				488.8091@6.25	+	488.8091	6.25			(489.8164, 5375.16)(490.8161, 774.33)	FindByMolecularFeature		1
495.7987@6.232				495.7987@6.232	+	495.7987	6.232			(496.8059, 9648.11)(497.8097, 1173.56)	FindByMolecularFeature		1
495.7988@6.314				495.7988@6.314	+	495.7988	6.314			(496.8061, 7787.72)(497.8086, 1155.74)	FindByMolecularFeature		1
495.7988@6.359				495.7988@6.359	+	495.7988	6.359			(496.8061, 5880.41)(497.8099, 1151.16)	FindByMolecularFeature		1
496.8064@6.499				496.8064@6.499	+	496.8064	6.499			(497.8137, 4579.85)(498.8156, 1351.17)	FindByMolecularFeature		1
497.3777@1.086				497.3777@1.086	+	497.3777	1.086			(498.3849, 1617.21)(499.3812, 958.27)	FindByMolecularFeature		1
4-Amino-2-hydroxylamino-6-nitrotoluene	4-Amino-2-hydroxylamino-6-nitrotoluene [ C7 H9 N3 O3, overall=47.53, db=47.53, KEGG ID=C16403, METLIN ID=71191 ]			4-Amino-2-hydroxylamino-6-nitrotoluene	+	183.0644	6.572	47.53	C16403	(206.0529, 754.36)(184.0718, 2767.2)	FindByMolecularFeature	C7 H9 N3 O3	1
4-Amino-2-nitrotoluene +2.524	4-Amino-2-nitrotoluene [ C7 H8 N2 O2, overall=60.40, db=60.40, CAS ID=119-32-4, KEGG ID=C18320, METLIN ID=72154 ]	119-32-4		4-Amino-2-nitrotoluene +2.524	+	152.0589	2.524	60.4	C18320	(153.0662, 11026.39)(154.0603, 1775.1)	FindByMolecularFeature	C7 H8 N2 O2	1
4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline	4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline [ C14 H19 N5 O2, overall=46.89, db=46.89, CAS ID=60547-97-9, METLIN ID=2460 ]	60547-97-9		4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline	+	289.1548	1.116	46.89		(290.1616, 2968.48)(307.1901, 1000.94)	FindByMolecularFeature	C14 H19 N5 O2	1
4-Aminomethylindole +1.809	4-Aminomethylindole [ C9 H9 N2, overall=70.49, db=70.49, CAS ID=3468-18-6, METLIN ID=44973 ]	3468-18-6		4-Aminomethylindole +1.809	+	167.0585	1.809	70.49		(168.0658, 5472.06)(169.0687, 1107.8)	FindByMolecularFeature	C9 H9 N2	1
4-Aminomethylindole +2.752	4-Aminomethylindole [ C9 H9 N2, overall=57.10, db=57.10, CAS ID=3468-18-6, METLIN ID=44973 ]	3468-18-6		4-Aminomethylindole +2.752	+	167.0592	2.752	57.1		(168.0665, 3881.09)(169.0707, 914.5)	FindByMolecularFeature	C9 H9 N2	1
4-Aminomethylindole +6.156	4-Aminomethylindole [ C9 H9 N2, overall=43.87, db=43.87, CAS ID=3468-18-6, METLIN ID=44973 ]	3468-18-6		4-Aminomethylindole +6.156	+	167.0598	6.156	43.87		(168.0666, 4043.53)(335.1312, 1273.88)	FindByMolecularFeature	C9 H9 N2	1
4-Chloro-N1-methyl-N1-(4-carboxy-2-hydroxy-2-methylbutyl)-m-benzenedisulfonamide	4-Chloro-N1-methyl-N1-(4-carboxy-2-hydroxy-2-methylbutyl)-m-benzenedisulfonamide [ C13 H19 Cl N2 O7 S2, overall=51.59, db=51.59, CAS ID=14886-91-0, METLIN ID=1110 ]	14886-91-0		4-Chloro-N1-methyl-N1-(4-carboxy-2-hydroxy-2-methylbutyl)-m-benzenedisulfonamide	+	414.0317	1.103	51.59		(415.039, 2815.23)(416.0394, 1253.55)(417.0319, 1410.31)	FindByMolecularFeature	C13 H19 Cl N2 O7 S2	1
4E-Tridecenyl acetate	4E-Tridecenyl acetate [ C15 H28 O2, overall=47.22, db=47.22, Lipid ID=LMFA05000313, METLIN ID=46264 ]			4E-Tridecenyl acetate	+	240.2089	1.226	47.22		(241.2159, 2758.55)(258.2447, 1156.29)	FindByMolecularFeature	C15 H28 O2	1		LMFA05000313
4-Heptyloxyphenol +1.33	4-Heptyloxyphenol [ C13 H20 O2, overall=46.69, db=46.69, CAS ID=13037-86-0, KEGG ID=C14236, METLIN ID=69898 ]	13037-86-0		4-Heptyloxyphenol +1.33	+	208.1466	1.33	46.69	C14236	(209.153, 1920.65)(226.1806, 7822.98)	FindByMolecularFeature	C13 H20 O2	1
4-Heptyloxyphenol +8.057	4-Heptyloxyphenol [ C13 H20 O2, overall=54.98, db=54.98, CAS ID=13037-86-0, KEGG ID=C14236, METLIN ID=69898 ]	13037-86-0		4-Heptyloxyphenol +8.057	+	230.127	8.057	54.98	C14236	(231.1343, 2152.95)(232.143, 616.37)	FindByMolecularFeature	C13 H20 O2	1
4-Hydroxy-2-quinolone +1.877	4-Hydroxy-2-quinolone [ C9 H7 N O2, overall=73.52, db=73.52, CAS ID=86-95-3, KEGG ID=C16716, METLIN ID=71293 ]	86-95-3		4-Hydroxy-2-quinolone +1.877	+	161.0481	1.877	73.52	C16716	(162.0554, 5993.2)(163.0548, 860.56)	FindByMolecularFeature	C9 H7 N O2	1
4-Hydroxy-2-quinolone +2.329	4-Hydroxy-2-quinolone [ C9 H7 N O2, overall=70.64, db=70.64, CAS ID=86-95-3, KEGG ID=C16716, METLIN ID=71293 ]	86-95-3		4-Hydroxy-2-quinolone +2.329	+	161.0478	2.329	70.64	C16716	(162.0551, 6151.31)(163.0602, 1029.16)	FindByMolecularFeature	C9 H7 N O2	1
4-Hydroxy-2-quinolone +2.372	4-Hydroxy-2-quinolone [ C9 H7 N O2, overall=80.13, db=80.13, CAS ID=86-95-3, KEGG ID=C16716, METLIN ID=71293 ]	86-95-3		4-Hydroxy-2-quinolone +2.372	+	161.0478	2.372	80.13	C16716	(162.0551, 9683.27)(163.0578, 1482.29)	FindByMolecularFeature	C9 H7 N O2	1
4-Hydroxyfurano[2'',3'':6,7]aurone	4-Hydroxyfurano[2'',3'':6,7]aurone [ C17 H10 O4, overall=82.00, db=82.00, Lipid ID=LMPK12130024, METLIN ID=52439 ]			4-Hydroxyfurano[2'',3'':6,7]aurone	+	278.0577	2.89	82		(301.0469, 736.93)(279.0649, 3467.2)(280.0679, 768.18)	FindByMolecularFeature	C17 H10 O4	1		LMPK12130024
4-Hydroxyphenylretinamide	4-Hydroxyphenylretinamide [ C26 H33 N O2, overall=44.56, db=44.56, CAS ID=65646-68-6, METLIN ID=43443 ]	65646-68-6		4-Hydroxyphenylretinamide	+	391.2508	7.724	44.56		(805.4904, 1436.55)(392.2583, 1012.55)	FindByMolecularFeature	C26 H33 N O2	1
4-Methylaminobutyrate +6.603	4-Methylaminobutyrate [ C5 H11 N O2, overall=85.10, db=85.10, CAS ID=1119-48-8, KEGG ID=C15987, METLIN ID=63884 ]	1119-48-8		4-Methylaminobutyrate +6.603	+	117.0788	6.603	85.1	C15987	(118.0861, 20817.56)(119.0889, 1787.24)	FindByMolecularFeature	C5 H11 N O2	1
4-Methylhistamine +7.272	4-Methylhistamine [ C6 H11 N3, overall=86.93, db=86.93, CAS ID=36507-31-0, KEGG ID=C17929, METLIN ID=71951 ]	36507-31-0		4-Methylhistamine +7.272	+	125.095	7.272	86.93	C17929	(126.1023, 9100.21)(127.1047, 816.41)	FindByMolecularFeature	C6 H11 N3	1
4-Naphthalimidobutyric Acid	4-Naphthalimidobutyric Acid [ C16 H13 N O4, overall=84.35, db=84.35, CAS ID=88909-96-0, METLIN ID=43845 ]	88909-96-0		4-Naphthalimidobutyric Acid	+	283.0853	1.451	84.35		(284.0965, 1001.03)(301.1188, 10446.35)(302.1212, 2012.43)	FindByMolecularFeature	C16 H13 N O4	1
4-Nitroestrone	4-Nitroestrone [ C18 H21 N O4, overall=70.70, db=70.70, KEGG ID=C15362, METLIN ID=70834 ]			4-Nitroestrone	+	315.148	6.215	70.7	C15362	(316.1552, 2806.65)(317.1574, 807.93)	FindByMolecularFeature	C18 H21 N O4	1
4-Nitrotoluene +1.788	4-Nitrotoluene [ C7 H7 N O2, overall=84.90, db=84.90, CAS ID=99-99-0, KEGG ID=C14394, METLIN ID=70025 ]	99-99-0		4-Nitrotoluene +1.788	+	154.0743	1.788	84.9	C14394	(155.0816, 13899.82)(156.0855, 1356.54)	FindByMolecularFeature	C7 H7 N O2	1
4-octenal +1.145	4-octenal [ C8 H14 O, overall=47.49, db=47.49, Lipid ID=LMFA06000031, METLIN ID=36551 ]			4-octenal +1.145	+	126.1043	1.145	47.49		(127.1116, 1497.6)(270.2425, 974.14)	FindByMolecularFeature	C8 H14 O	1		LMFA06000031
4-Oxo-1-(3-pyridyl)-1-butanone +2.414	4-Oxo-1-(3-pyridyl)-1-butanone [ C9 H9 N O2, overall=57.31, db=57.31, CAS ID=76014-80-7, KEGG ID=C19567, METLIN ID=73236 ]	76014-80-7		4-Oxo-1-(3-pyridyl)-1-butanone +2.414	+	163.0639	2.414	57.31	C19567	(164.0712, 3664.21)(165.0735, 1415.39)	FindByMolecularFeature	C9 H9 N O2	1
4-Oxo-1-(3-pyridyl)-1-butanone +3.581	4-Oxo-1-(3-pyridyl)-1-butanone [ C9 H9 N O2, overall=54.19, db=54.19, CAS ID=76014-80-7, KEGG ID=C19567, METLIN ID=73236 ]	76014-80-7		4-Oxo-1-(3-pyridyl)-1-butanone +3.581	+	163.0637	3.581	54.19	C19567	(164.071, 3994.05)(165.0717, 1085.26)	FindByMolecularFeature	C9 H9 N O2	1
4-PIOL +7.914	4-PIOL [ C8 H12 N2 O2, overall=71.37, db=71.37, CAS ID=132033-91-1, KEGG ID=C13710, METLIN ID=69651 ]	132033-91-1		4-PIOL +7.914	+	168.0899	7.914	71.37	C13710	(169.0971, 5535.89)(170.0988, 952.1)	FindByMolecularFeature	C8 H12 N2 O2	1
4S,5S-antillatoxin A	4S,5S-antillatoxin A [ C28 H45 N3 O5, overall=59.96, db=59.96, METLIN ID=65432 ]			4S,5S-antillatoxin A	+	503.336	4.187	59.96		(504.3432, 1510.67)(505.3455, 833.47)	FindByMolecularFeature	C28 H45 N3 O5	1
4-Sulfobenzyl alcohol	4-Sulfobenzyl alcohol [ C7 H8 O4 S, overall=46.68, db=46.68, KEGG ID=C06678, METLIN ID=66489 ]			4-Sulfobenzyl alcohol	+	205.0386	1.604	46.68	C06678	(206.0459, 3307.47)(207.0543, 1129.65)	FindByMolecularFeature	C7 H8 O4 S	1
4-Vinylcyclohexene +1.104	4-Vinylcyclohexene [ C8 H12, overall=46.64, db=46.64, CAS ID=100-40-3, KEGG ID=C19310, METLIN ID=73021 ]	100-40-3		4-Vinylcyclohexene +1.104	+	108.0932	1.104	46.64	C19310	(131.0822, 1169.33)(109.1008, 2618.65)	FindByMolecularFeature	C8 H12	1
5?-Cholane-3?,6?,24-triol	5?-Cholane-3?,6?,24-triol [ C24 H42 O3, overall=36.90, db=36.90, METLIN ID=42890 ]			5?-Cholane-3?,6?,24-triol	+	378.3153	1.062	36.9		(401.3064, 718.46)(379.321, 1344.39)(396.3493, 1754.32)	FindByMolecularFeature	C24 H42 O3	1
5?-Cholestane-3?,7?,25,26-tetrol	5?-Cholestane-3?,7?,25,26-tetrol [ C27 H48 O4, overall=34.86, db=34.86, METLIN ID=43039 ]			5?-Cholestane-3?,7?,25,26-tetrol	+	453.3801	1.057	34.86		(454.3874, 1914.46)(455.3857, 895.59)	FindByMolecularFeature	C27 H48 O4	1
5?-Cyprinolsulfate +1.353	5?-Cyprinolsulfate [ C27 H48 O8 S, overall=43.33, db=43.33, Lipid ID=LMST05020004, KEGG ID=C05468, METLIN ID=43184 ]			5?-Cyprinolsulfate +1.353	+	532.3069	1.353	43.33	C05468	(533.3142, 1077.78)(534.3119, 884.59)(535.3254, 1419.94)	FindByMolecularFeature	C27 H48 O8 S	1		LMST05020004
510.8217@6.364				510.8217@6.364	+	510.8217	6.364			(511.8289, 1654.82)(512.8334, 765.88)	FindByMolecularFeature		1
517.8113@6.493				517.8113@6.493	+	517.8113	6.493			(518.8186, 6679.12)(519.8247, 823.17)	FindByMolecularFeature		1
518.8195@6.624				518.8195@6.624	+	518.8195	6.624			(519.8268, 6676.06)(520.8299, 914.08)	FindByMolecularFeature		1
520.8222@3.571				520.8222@3.571	+	520.8222	3.571			(521.8295, 6406.9)(522.8345, 741.59)	FindByMolecularFeature		1
522.0928@1.077				522.0928@1.077	+	522.0928	1.077			(523.1001, 2374.96)(524.1011, 1384.93)(525.0928, 929.03)	FindByMolecularFeature		1
525.4318@1.048				525.4318@1.048	+	525.4318	1.048			(526.4391, 1722.54)(527.4436, 805.65)(528.4252, 3506.37)(529.4287, 1572.18)(530.4396, 1772.86)	FindByMolecularFeature		1
534.3935@4.102				534.3935@4.102	+	534.3935	4.102			(535.4007, 2408.44)(536.4034, 1761.38)(537.3917, 1542.97)	FindByMolecularFeature		1
535.605@3.609				535.605@3.609	+	535.605	3.609			(536.6122, 2389.72)(537.6163, 887.89)	FindByMolecularFeature		1
538.3522@1.478				538.3522@1.478	+	538.3522	1.478			(539.3595, 1176.0)(540.3731, 779.3)(541.3716, 969.75)	FindByMolecularFeature		1
539.825@6.578				539.825@6.578	+	539.825	6.578			(540.8323, 15396.66)(541.8338, 1879.88)	FindByMolecularFeature		1
54:3 SLBPA	54:3 SLBPA [ C60 H111 O11 P, overall=29.06, db=29.06, Lipid ID=LMGP04090002, METLIN ID=40880 ]			54:3 SLBPA	+	1055.8077	5.697	29.06		(1056.815, 2446.51)(1057.8124, 703.41)	FindByMolecularFeature	C60 H111 O11 P	1		LMGP04090002
540.8325@6.736				540.8325@6.736	+	540.8325	6.736			(541.8397, 8203.36)(542.8409, 967.05)	FindByMolecularFeature		1
541.2786@1.756				541.2786@1.756	+	541.2786	1.756			(542.2859, 910.72)(543.2902, 763.96)(544.3004, 1178.93)	FindByMolecularFeature		1
541.6642@7.762				541.6642@7.762	+	541.6642	7.762			(542.6715, 11337.99)(543.6738, 872.28)	FindByMolecularFeature		1
542.8348@3.804				542.8348@3.804	+	542.8348	3.804			(543.8421, 4436.35)(544.8439, 808.09)	FindByMolecularFeature		1
546.3208@1.501				546.3208@1.501	+	546.3208	1.501			(547.3281, 1752.6)(548.3337, 1082.78)	FindByMolecularFeature		1
548.3367@1.386				548.3367@1.386	+	548.3367	1.386			(549.344, 1562.79)(550.3477, 1131.51)	FindByMolecularFeature		1
562.1567@1.024				562.1567@1.024	+	562.1567	1.024			(563.164, 1745.71)(564.1677, 1153.33)(565.1596, 696.04)	FindByMolecularFeature		1
562.8457@6.842				562.8457@6.842	+	562.8457	6.842			(563.853, 8762.56)(564.854, 1197.14)	FindByMolecularFeature		1
574.8359@6.771				574.8359@6.771	+	574.8359	6.771			(575.8431, 2266.31)(576.8485, 702.47)	FindByMolecularFeature		1
585.6899@8.033				585.6899@8.033	+	585.6899	8.033			(586.6972, 7238.56)(587.7023, 803.67)	FindByMolecularFeature		1
585.6902@7.971				585.6902@7.971	+	585.6902	7.971			(586.6975, 4890.29)(587.7014, 896.37)	FindByMolecularFeature		1
5-Acetamidovalerate +1.913	5-Acetamidovalerate [ C7 H13 N O3, overall=56.77, db=56.77, METLIN ID=62836, HMP ID=HMDB12175 ]			5-Acetamidovalerate +1.913	+	181.0722	1.913	56.77		(182.0795, 4369.01)(183.0833, 1056.99)	FindByMolecularFeature	C7 H13 N O3	1	HMDB12175
5'-Deoxy-5'-fluoroadenosine	5'-Deoxy-5'-fluoroadenosine [ C10 H12 F N5 O3, overall=45.24, db=45.24, KEGG ID=C19766, METLIN ID=73343 ]			5'-Deoxy-5'-fluoroadenosine	+	269.0913	6.545	45.24	C19766	(270.0989, 1599.34)(287.1244, 920.73)	FindByMolecularFeature	C10 H12 F N5 O3	1
5-Hydroxy-3,4-dihydrocarbostyryl +1.246	5-Hydroxy-3,4-dihydrocarbostyryl [ C9 H9 N O2, overall=86.11, db=86.11, CAS ID=30389-33-4, METLIN ID=1550 ]	30389-33-4		5-Hydroxy-3,4-dihydrocarbostyryl +1.246	+	163.0637	1.246	86.11		(164.0709, 9067.58)(165.0733, 981.33)	FindByMolecularFeature	C9 H9 N O2	1
5-Hydroxy-3,4-dihydrocarbostyryl +2.95	5-Hydroxy-3,4-dihydrocarbostyryl [ C9 H9 N O2, overall=75.78, db=75.78, CAS ID=30389-33-4, METLIN ID=1550 ]	30389-33-4		5-Hydroxy-3,4-dihydrocarbostyryl +2.95	+	163.064	2.95	75.78		(164.0713, 4301.1)(165.0749, 684.92)	FindByMolecularFeature	C9 H9 N O2	1
5-Hydroxybuspirone	5-Hydroxybuspirone [ C21 H31 N5 O3, overall=50.91, db=50.91, CAS ID=105496-33-1, METLIN ID=1451 ]	105496-33-1		5-Hydroxybuspirone	+	401.2417	1.516	50.91		(402.249, 1511.44)(403.2503, 912.53)	FindByMolecularFeature	C21 H31 N5 O3	1
5-Hydroxydopamine +2.564	5-Hydroxydopamine [ C8 H11 N O3, overall=65.56, db=65.56, CAS ID=1927-04-4, METLIN ID=7081, HMP ID=HMDB04817 ]	4/4/1927		5-Hydroxydopamine +2.564	+	169.0742	2.564	65.56		(170.0815, 3403.07)(171.0852, 695.5)	FindByMolecularFeature	C8 H11 N O3	1	HMDB04817
5-Hydroxyectoine +7.287	5-Hydroxyectoine [ C6 H10 N2 O3, overall=76.98, db=76.98, CAS ID=, KEGG ID=C16432, METLIN ID=63420 ]			5-Hydroxyectoine +7.287	+	158.0693	7.287	76.98	C16432	(159.0766, 7294.29)(160.08, 968.99)	FindByMolecularFeature	C6 H10 N2 O3	1
5-Hydroxyectoine +7.736	5-Hydroxyectoine [ C6 H10 N2 O3, overall=45.14, db=45.14, CAS ID=, KEGG ID=C16432, METLIN ID=63420 ]			5-Hydroxyectoine +7.736	+	158.0688	7.736	45.14	C16432	(159.0769, 836.59)(176.1023, 2513.94)	FindByMolecularFeature	C6 H10 N2 O3	1
5Z,9Z-hexadecadienoic acid	5Z,9Z-hexadecadienoic acid [ C16 H28 O2, overall=46.58, db=46.58, Lipid ID=LMFA01030814, METLIN ID=45816 ]			5Z,9Z-hexadecadienoic acid	+	126.1043	1.079	46.58		(127.1116, 1141.96)(253.2157, 3026.12)	FindByMolecularFeature	C16 H28 O2	1		LMFA01030814
6-(Allylthio)purine	6-(Allylthio)purine [ C8 H8 N4 S, overall=53.07, db=53.07, KEGG ID=C15348, METLIN ID=70821 ]			6-(Allylthio)purine	+	209.0724	6.458	53.07	C15348	(210.0797, 2980.32)(211.0803, 666.95)	FindByMolecularFeature	C8 H8 N4 S	1
6-(alpha-D-Glucosaminyl)-1D-myo-inositol +3.233	6-(alpha-D-Glucosaminyl)-1D-myo-inositol [ C12 H23 N O10, overall=73.49, db=73.49, KEGG ID=C15658, METLIN ID=62408, HMP ID=HMDB11668 ]			6-(alpha-D-Glucosaminyl)-1D-myo-inositol +3.233	+	341.1322	3.233	73.49	C15658	(342.1395, 4425.19)(343.1481, 508.42)	FindByMolecularFeature	C12 H23 N O10	1	HMDB11668
6,7-Dichloro-3-Hydroxy-2-Quinoxalinecarboxylic Acid +2.924	6,7-Dichloro-3-Hydroxy-2-Quinoxalinecarboxylic Acid [ C9 H4 Cl2 N2 O3, overall=55.58, db=55.58, CAS ID=, METLIN ID=43878 ]			6,7-Dichloro-3-Hydroxy-2-Quinoxalinecarboxylic Acid +2.924	+	274.9862	2.924	55.58		(275.9935, 3502.59)(276.9947, 623.59)	FindByMolecularFeature	C9 H4 Cl2 N2 O3	1
6,7-Dimethyltetrahydropterin	6,7-Dimethyltetrahydropterin [ C8 H13 N5 O, overall=45.39, db=45.39, CAS ID=167423-51-0, METLIN ID=6665, HMP ID=HMDB02397 ]	167423-51-0		6,7-Dimethyltetrahydropterin	+	195.1146	1.274	45.39		(196.1219, 5014.87)(197.1233, 1053.35)	FindByMolecularFeature	C8 H13 N5 O	1	HMDB02397
6-[5]-ladderane-1-hexanol	6-[5]-ladderane-1-hexanol [ C18 H28 O, overall=64.62, db=64.62, Lipid ID=LMFA05000063, METLIN ID=75284 ]			6-[5]-ladderane-1-hexanol	+	260.2147	1.101	64.62		(261.222, 3360.92)(262.2242, 1096.86)	FindByMolecularFeature	C18 H28 O	1		LMFA05000063
614.7061@8.508				614.7061@8.508	+	614.7061	8.508			(615.7134, 2842.46)(616.7182, 976.21)	FindByMolecularFeature		1
614.7067@8.19				614.7067@8.19	+	614.7067	8.19			(615.714, 3678.54)(616.7164, 1034.12)	FindByMolecularFeature		1
620.7107@8.536				620.7107@8.536	+	620.7107	8.536			(621.7179, 1884.68)(622.7228, 786.56)	FindByMolecularFeature		1
634.8716@5.694				634.8716@5.694	+	634.8716	5.694			(635.8789, 1384.2)(636.8785, 695.15)	FindByMolecularFeature		1
635.3016@3.52				635.3016@3.52	+	635.3016	3.52			(636.3089, 667.88)(637.3203, 985.44)(638.3231, 967.59)	FindByMolecularFeature		1
636.3147@3.749				636.3147@3.749	+	636.3147	3.749			(637.322, 1386.75)(638.3246, 667.14)(639.3362, 1353.87)	FindByMolecularFeature		1
636.3149@3.594				636.3149@3.594	+	636.3149	3.594			(637.3222, 1814.85)(638.3262, 1077.71)(639.337, 1775.89)	FindByMolecularFeature		1
671.9036@7.392				671.9036@7.392	+	671.9036	7.392			(672.9108, 5946.89)(673.9167, 3669.37)	FindByMolecularFeature		1
672.195@1.031				672.195@1.031	+	672.195	1.031			(673.2023, 1985.41)(674.2001, 1415.64)(675.2011, 953.86)	FindByMolecularFeature		1
698.2477@1.016				698.2477@1.016	+	698.2477	1.016			(699.255, 4198.79)(700.2515, 3600.15)(701.2531, 1805.25)	FindByMolecularFeature		1
6alpha-Fluoro-17-hydroxypregn-4-ene-3,20-dione acetate	6alpha-Fluoro-17-hydroxypregn-4-ene-3,20-dione acetate [ C23 H31 F O4, overall=57.83, db=57.83, KEGG ID=C15310, METLIN ID=70783 ]			6alpha-Fluoro-17-hydroxypregn-4-ene-3,20-dione acetate	+	390.2236	1.206	57.83	C15310	(391.2309, 1466.6)(392.2364, 768.53)(393.2221, 608.85)	FindByMolecularFeature	C23 H31 F O4	1
6-Benzylaminopurine +6.399	6-Benzylaminopurine [ C12 H11 N5, overall=70.85, db=70.85, CAS ID=1214-39-7, KEGG ID=C11263, METLIN ID=68947 ]	1214-39-7		6-Benzylaminopurine +6.399	+	225.1008	6.399	70.85	C11263	(226.1081, 3725.99)(227.1096, 841.9)	FindByMolecularFeature	C12 H11 N5	1
6-Benzylaminopurine +6.44	6-Benzylaminopurine [ C12 H11 N5, overall=45.92, db=45.92, CAS ID=1214-39-7, KEGG ID=C11263, METLIN ID=68947 ]	1214-39-7		6-Benzylaminopurine +6.44	+	225.1006	6.44	45.92	C11263	(226.1081, 3104.55)(243.1326, 664.47)	FindByMolecularFeature	C12 H11 N5	1
6-bromo-5,9-hexacosadienoic acid +4.328	6-bromo-5,9-hexacosadienoic acid [ C26 H47 Br O2, overall=58.19, db=58.19, Lipid ID=LMFA01090016, METLIN ID=74834 ]			6-bromo-5,9-hexacosadienoic acid +4.328	+	470.2776	4.328	58.19		(471.2849, 1406.65)(472.2894, 880.94)(473.267, 548.36)	FindByMolecularFeature	C26 H47 Br O2	1		LMFA01090016
6-Dimethylaminopurine	6-Dimethylaminopurine [ C7 H9 N5, overall=44.51, db=44.51, CAS ID=938-55-6, KEGG ID=, METLIN ID=5460, HMP ID=HMDB00473 ]	938-55-6		6-Dimethylaminopurine	+	163.0857	6.073	44.51		(164.093, 2721.99)(165.1006, 773.11)	FindByMolecularFeature	C7 H9 N5	1	HMDB00473
6-Methylpretetramide	6-Methylpretetramide [ C20 H15 N O6, overall=76.92, db=76.92, CAS ID=, KEGG ID=C06629, METLIN ID=63773 ]			6-Methylpretetramide	+	387.0735	6.183	76.92	C06629	(388.0808, 3378.9)(389.0832, 779.86)	FindByMolecularFeature	C20 H15 N O6	1
6-nonenal +1.763	6-nonenal [ C9 H16 O, overall=78.95, db=78.95, METLIN ID=36564 ]			6-nonenal +1.763	+	157.1458	1.763	78.95		(158.1531, 5596.3)(159.1565, 807.96)	FindByMolecularFeature	C9 H16 O	1
6-Oxocineole +1.415	6-Oxocineole [ C10 H16 O2, overall=43.42, db=43.42, KEGG ID=C00848, METLIN ID=41067 ]			6-Oxocineole +1.415	+	168.1151	1.415	43.42	C00848	(169.1232, 1283.44)(337.235, 926.42)	FindByMolecularFeature	C10 H16 O2	1
6-piperazin-1-yl-Isoquinoline +8.097	6-piperazin-1-yl-Isoquinoline [ C13 H15 N3, overall=85.78, db=85.78, CAS ID=936643-77-5, METLIN ID=45047 ]	936643-77-5		6-piperazin-1-yl-Isoquinoline +8.097	+	230.1529	8.097	85.78		(231.1601, 4748.02)(232.1628, 842.09)	FindByMolecularFeature	C13 H15 N3	1
7-(3-Methylbut-2-enyl)-L-tryptophan	7-(3-Methylbut-2-enyl)-L-tryptophan [ C16 H20 N2 O2, overall=55.11, db=55.11, KEGG ID=C19767, METLIN ID=73344 ]			7-(3-Methylbut-2-enyl)-L-tryptophan	+	294.1336	2.097	55.11	C19767	(295.1409, 3983.27)(296.1419, 1268.14)	FindByMolecularFeature	C16 H20 N2 O2	1
7-(3-Methylbut-2-enyl)-L-tryptophan +2.097	7-(3-Methylbut-2-enyl)-L-tryptophan [ C16 H20 N2 O2, overall=40.16, db=40.16, KEGG ID=C19767, METLIN ID=73344 ]			7-(3-Methylbut-2-enyl)-L-tryptophan +2.097	+	272.1515	2.097	40.16	C19767	(295.1407, 3287.58)(296.1398, 1168.89)(273.1594, 1051.24)	FindByMolecularFeature	C16 H20 N2 O2	1
7,8-Diaminononanoate +6.031	7,8-Diaminononanoate [ C9 H20 N2 O2, overall=82.37, db=82.37, CAS ID=21738-21-6, KEGG ID=C01037, METLIN ID=3324 ]	21738-21-6		7,8-Diaminononanoate +6.031	+	188.1525	6.031	82.37	C01037	(189.1597, 6688.32)(190.1622, 988.9)	FindByMolecularFeature	C9 H20 N2 O2	1
702.2072@1.026				702.2072@1.026	+	702.2072	1.026			(703.2145, 68262.63)(704.2127, 55803.84)(705.2124, 25620.87)	FindByMolecularFeature		1
723.7718@9.054				723.7718@9.054	+	723.7718	9.054			(724.779, 4420.84)(725.7819, 856.51)	FindByMolecularFeature		1
726.1389@1.026				726.1389@1.026	+	726.1389	1.026			(727.1462, 1552.1)(728.1476, 1076.52)(729.1399, 1262.91)	FindByMolecularFeature		1
751.6322@1.019				751.6322@1.019	+	751.6322	1.019			(752.6395, 1399.39)(753.6409, 875.4)(754.6544, 1523.5)	FindByMolecularFeature		1
765.6733@1.035				765.6733@1.035	+	765.6733	1.035			(766.6805, 1876.77)(767.6851, 816.94)(768.6713, 1369.18)	FindByMolecularFeature		1
794.6806@1.023				794.6806@1.023	+	794.6806	1.023			(795.6879, 1873.75)(796.6969, 1440.42)	FindByMolecularFeature		1
7alpha-Hydroxytestololactone +1.532	7alpha-Hydroxytestololactone [ C19 H26 O4, overall=61.48, db=61.48, KEGG ID=C15351, METLIN ID=70824 ]			7alpha-Hydroxytestololactone +1.532	+	318.1824	1.532	61.48	C15351	(319.1897, 2397.38)(320.1946, 870.19)	FindByMolecularFeature	C19 H26 O4	1
7alpha-Hydroxytestololactone +6.308	7alpha-Hydroxytestololactone [ C19 H26 O4, overall=63.91, db=63.91, KEGG ID=C15351, METLIN ID=70824 ]			7alpha-Hydroxytestololactone +6.308	+	340.1637	6.308	63.91	C15351	(341.1709, 1979.43)(342.1763, 616.23)	FindByMolecularFeature	C19 H26 O4	1
7H-Dibenzo[c,g]carbazole	7H-Dibenzo[c,g]carbazole [ C20 H13 N, overall=86.08, db=86.08, CAS ID=194-59-2, KEGG ID=C19221, METLIN ID=72944 ]	194-59-2		7H-Dibenzo[c,g]carbazole	+	267.1047	4.186	86.08	C19221	(268.112, 5926.15)(269.1152, 1343.22)	FindByMolecularFeature	C20 H13 N	1
7-Hydroxytacrine	7-Hydroxytacrine [ C13 H14 N2 O, overall=75.09, db=75.09, CAS ID=136051-80-4, METLIN ID=2617 ]	136051-80-4		7-Hydroxytacrine	+	236.0918	3.042	75.09		(237.0991, 3150.37)(238.1059, 584.11)	FindByMolecularFeature	C13 H14 N2 O	1
7-Mercaptoheptanoylthreonine	7-Mercaptoheptanoylthreonine [ C11 H21 N O4 S, overall=31.44, db=31.44, KEGG ID=C16594, METLIN ID=71251 ]			7-Mercaptoheptanoylthreonine	+	280.1479	1.272	31.44	C16594	(281.1551, 3436.72)(282.1611, 963.26)	FindByMolecularFeature	C11 H21 N O4 S	1
7-nonynoic acid +1.342	7-nonynoic acid [ C9 H14 O2, overall=38.56, db=38.56, METLIN ID=35162 ]			7-nonynoic acid +1.342	+	154.0997	1.342	38.56		(155.1068, 1654.53)(326.2339, 2205.26)	FindByMolecularFeature	C9 H14 O2	1
7Z,10Z,13Z-docosatrienoic acid	7Z,10Z,13Z-docosatrienoic acid [ C22 H38 O2, overall=57.15, db=57.15, METLIN ID=35073 ]			7Z,10Z,13Z-docosatrienoic acid	+	356.2702	1.256	57.15		(357.2774, 2471.25)(358.2786, 1087.62)	FindByMolecularFeature	C22 H38 O2	1
8-(5-hexyl-furan-2-yl)-octanoic acid +1.164	8-(5-hexyl-furan-2-yl)-octanoic acid [ C18 H30 O3, overall=47.23, db=47.23, KEGG ID=C13798, METLIN ID=35959 ]			8-(5-hexyl-furan-2-yl)-octanoic acid +1.164	+	294.2209	1.164	47.23	C13798	(317.2109, 2021.03)(295.2271, 2541.82)	FindByMolecularFeature	C18 H30 O3	1
8,9-dihydroxy-5,11,14-eicosatrienoic acid	8,9-dihydroxy-5,11,14-eicosatrienoic acid [ C20 H34 O4, overall=53.03, db=53.03, METLIN ID=36274 ]			8,9-dihydroxy-5,11,14-eicosatrienoic acid	+	338.2463	1.085	53.03		(339.2535, 2321.87)(340.2568, 948.58)(356.2801, 3948.36)(357.2806, 2136.83)	FindByMolecularFeature	C20 H34 O4	1
8?-estra-1,3,5(10)-trien-3,17?-diol	8?-estra-1,3,5(10)-trien-3,17?-diol [ C18 H24 O2, overall=53.68, db=53.68, CAS ID=517-04-4, METLIN ID=41818 ]	517-04-4		8?-estra-1,3,5(10)-trien-3,17?-diol	+	294.1581	7.897	53.68		(295.1654, 2820.65)(296.1709, 1151.17)	FindByMolecularFeature	C18 H24 O2	1
847.2662@1.015				847.2662@1.015	+	847.2662	1.015			(848.2735, 3853.13)(849.2715, 2937.87)(850.2518, 35861.7)	FindByMolecularFeature		1
853.234@1.023				853.234@1.023	+	853.234	1.023			(854.2413, 2960.98)(855.2376, 1217.99)(856.218, 831.75)	FindByMolecularFeature		1
883.7471@1.062				883.7471@1.062	+	883.7471	1.062			(884.7543, 1478.75)(885.7572, 1145.37)	FindByMolecularFeature		1
8-Azaspiro[4.5]decane-8-butanoic acid, 7,9-dioxo(buspirone metabolite) +6.321	8-Azaspiro[4.5]decane-8-butanoic acid, 7,9-dioxo(buspirone metabolite) [ C13 H19 N O4, overall=69.78, db=69.78, CAS ID=105920-65-8, METLIN ID=1452 ]	105920-65-8		8-Azaspiro[4.5]decane-8-butanoic acid, 7,9-dioxo(buspirone metabolite) +6.321	+	270.1577	6.321	69.78		(271.165, 6453.67)(272.1644, 1281.5)	FindByMolecularFeature	C13 H19 N O4	1
8-D-Olivosyl-landomycin	8-D-Olivosyl-landomycin [ C25 H24 O9, overall=63.21, db=63.21, KEGG ID=C18778, METLIN ID=72548 ]			8-D-Olivosyl-landomycin	+	490.1261	5.549	63.21	C18778	(491.1334, 2839.97)(492.1371, 974.71)	FindByMolecularFeature	C25 H24 O9	1
8-D-Olivosyl-landomycin +5.608	8-D-Olivosyl-landomycin [ C25 H24 O9, overall=65.80, db=65.80, KEGG ID=C18778, METLIN ID=72548 ]			8-D-Olivosyl-landomycin +5.608	+	490.1267	5.608	65.8	C18778	(491.1339, 2825.85)(492.1376, 798.56)	FindByMolecularFeature	C25 H24 O9	1
8-methoxy-13-hydroxy-9,11-octadecadienoic acid	8-methoxy-13-hydroxy-9,11-octadecadienoic acid [ C19 H34 O4, overall=47.30, db=47.30, Lipid ID=LMFA01080002, METLIN ID=74813 ]			8-methoxy-13-hydroxy-9,11-octadecadienoic acid	+	326.246	1.106	47.3		(349.2361, 1086.35)(327.2533, 1897.0)(344.2793, 1282.15)	FindByMolecularFeature	C19 H34 O4	1		LMFA01080002
8-methylcaffeine +1.694	8-methylcaffeine [ C9 H12 N4 O2, overall=54.07, db=54.07, CAS ID=832-66-6, METLIN ID=84980 ]	832-66-6		8-methylcaffeine +1.694	+	230.0768	1.694	54.07		(231.084, 4933.67)(232.089, 1314.65)	FindByMolecularFeature	C9 H12 N4 O2	1
8-oxo-9,11-octadecadiynoic acid	8-oxo-9,11-octadecadiynoic acid [ C18 H26 O3, overall=55.91, db=55.91, METLIN ID=35848 ]			8-oxo-9,11-octadecadiynoic acid	+	290.1883	1.118	55.91		(291.1955, 5034.72)(292.2079, 1341.5)	FindByMolecularFeature	C18 H26 O3	1
8Z-heptadecenoic acid +1.202	8Z-heptadecenoic acid [ C17 H32 O2, overall=47.39, db=47.39, METLIN ID=34952 ]			8Z-heptadecenoic acid +1.202	+	268.2396	1.202	47.39		(269.2465, 1402.4)(286.2743, 2073.88)	FindByMolecularFeature	C17 H32 O2	1
8Z-heptadecenoic acid +6.959	8Z-heptadecenoic acid [ C17 H32 O2, overall=61.22, db=61.22, METLIN ID=34952 ]			8Z-heptadecenoic acid +6.959	+	290.2199	6.959	61.22		(291.2271, 3103.79)(292.2295, 716.06)	FindByMolecularFeature	C17 H32 O2	1
93.0929@5.756				93.0929@5.756	+	93.0929	5.756			(116.0819, 3116.98)(94.1012, 2444.37)	FindByMolecularFeature		1
966.4869@1.089				966.4869@1.089	+	966.4869	1.089			(967.4942, 1404.22)(968.4989, 1349.05)	FindByMolecularFeature		1
967.199@1.011				967.199@1.011	+	967.199	1.011			(968.2063, 979.96)(969.2064, 811.14)(970.1991, 1169.05)	FindByMolecularFeature		1
995.3044@1.01				995.3044@1.01	+	995.3044	1.01			(996.3117, 956.31)(997.3146, 835.44)(998.29, 3767.05)	FindByMolecularFeature		1
9-amino-nonanoic acid	9-amino-nonanoic acid [ C9 H19 N O2, overall=66.07, db=66.07, Lipid ID=LMFA01100010, METLIN ID=74863 ]			9-amino-nonanoic acid	+	173.1408	6.054	66.07		(174.148, 3402.38)(175.1433, 359.81)	FindByMolecularFeature	C9 H19 N O2	1		LMFA01100010
9-amino-nonanoic acid +4.134	9-amino-nonanoic acid [ C9 H19 N O2, overall=59.87, db=59.87, Lipid ID=LMFA01100010, METLIN ID=74863 ]			9-amino-nonanoic acid +4.134	+	173.1411	4.134	59.87		(174.1484, 3873.95)(175.1506, 937.0)	FindByMolecularFeature	C9 H19 N O2	1		LMFA01100010
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid +1.503	9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid [ C18 H34 O6, overall=47.62, db=47.62, Lipid ID=LMFA01040012, METLIN ID=74455 ]			9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid +1.503	+	346.2373	1.503	47.62		(369.2279, 1211.04)(347.2428, 1623.87)	FindByMolecularFeature	C18 H34 O6	1		LMFA01040012
9-O-Demethyl-2alpha-hydroxyhomolycorine +1.349	9-O-Demethyl-2alpha-hydroxyhomolycorine [ C17 H19 N O5, overall=48.79, db=48.79, KEGG ID=C12239, METLIN ID=69386 ]			9-O-Demethyl-2alpha-hydroxyhomolycorine +1.349	+	317.127	1.349	48.79	C12239	(318.1342, 1878.17)(319.1322, 754.41)	FindByMolecularFeature	C17 H19 N O5	1
9-O-Demethyl-2alpha-hydroxyhomolycorine +1.591	9-O-Demethyl-2alpha-hydroxyhomolycorine [ C17 H19 N O5, overall=70.08, db=70.08, KEGG ID=C12239, METLIN ID=69386 ]			9-O-Demethyl-2alpha-hydroxyhomolycorine +1.591	+	334.1538	1.591	70.08	C12239	(335.1611, 2004.07)(336.161, 514.89)	FindByMolecularFeature	C17 H19 N O5	1
9Z-Octadecene-12,14-diynoic acid	9Z-Octadecene-12,14-diynoic acid [ C18 H26 O2, overall=28.34, db=28.34, METLIN ID=35328 ]			9Z-Octadecene-12,14-diynoic acid	+	296.177	1.573	28.34		(297.1843, 1913.4)(298.1751, 1082.88)	FindByMolecularFeature	C18 H26 O2	1
A 80987	A 80987 [ C37 H43 N5 O6, overall=52.35, db=52.35, CAS ID=144141-97-9, KEGG ID=C15661, METLIN ID=71004 ]	144141-97-9		A 80987	+	653.3231	2.414	52.35	C15661	(654.3304, 872.27)(655.3292, 1089.1)	FindByMolecularFeature	C37 H43 N5 O6	1
Acetone cyanohydrin +6.703	Acetone cyanohydrin [ C4 H7 N O, overall=47.59, db=47.59, CAS ID=75-86-5, KEGG ID=C02659, METLIN ID=63623 ]	75-86-5		Acetone cyanohydrin +6.703	+	85.0528	6.703	47.59	C02659	(86.0601, 9160.05)(171.1126, 891.99)	FindByMolecularFeature	C4 H7 N O	1
Acetyl-11-keto-B-Boswellic Acid, 3-	Acetyl-11-keto-B-Boswellic Acid, 3- [ C32 H48 O5, overall=50.37, db=50.37, CAS ID=67416-61-9, METLIN ID=73545 ]	67416-61-9		Acetyl-11-keto-B-Boswellic Acid, 3-	+	534.3285	4.375	50.37		(535.3357, 2345.35)(536.3383, 933.61)	FindByMolecularFeature	C32 H48 O5	1
Acetylenic acids	Acetylenic acids [ C16 H20 O2, overall=67.63, db=67.63, Lipid ID=LMFA01030706, METLIN ID=74307 ]			Acetylenic acids	+	266.1277	6.314	67.63		(267.135, 3566.52)(268.1451, 836.4)	FindByMolecularFeature	C16 H20 O2	1		LMFA01030706
Acetylpseudotropine	Acetylpseudotropine [ C10 H17 N O2, overall=82.05, db=82.05, CAS ID=3423-26-5, KEGG ID=C12453, METLIN ID=64446 ]	3423-26-5		Acetylpseudotropine	+	183.1256	4.663	82.05	C12453	(184.1329, 5338.02)(185.1349, 740.53)	FindByMolecularFeature	C10 H17 N O2	1
Acrylamide	Acrylamide [ C3 H5 N O, overall=47.15, db=47.15, CAS ID=79-06-1, KEGG ID=C01659, METLIN ID=65628 ]	79-06-1		Acrylamide	+	71.0369	1.882	47.15	C01659	(72.0444, 1283.14)(89.0707, 3933.53)	FindByMolecularFeature	C3 H5 N O	1
AG-99 +3.261	AG-99 [ C10 H8 N2 O3, overall=29.79, db=29.79, CAS ID=122520-85-8, METLIN ID=45248 ]	122520-85-8		AG-99 +3.261	+	221.0823	3.261	29.79		(222.0896, 3342.95)(223.0944, 1081.92)	FindByMolecularFeature	C10 H8 N2 O3	1
AL 8810 ethyl amide	AL 8810 ethyl amide [ C26 H36 F N O3, overall=48.49, db=48.49, METLIN ID=45268 ]			AL 8810 ethyl amide	+	451.249	1.266	48.49		(452.2562, 2311.7)(453.2695, 970.81)	FindByMolecularFeature	C26 H36 F N O3	1
Ala Trp	Ala Trp [ C14 H17 N3 O3, overall=60.84, db=60.84, METLIN ID=23921 ]			Ala Trp	+	292.1542	5.073	60.84		(293.1615, 2441.09)(294.1611, 693.79)	FindByMolecularFeature	C14 H17 N3 O3	1
Alanopine	Alanopine [ C6 H11 N O4, overall=83.93, db=83.93, KEGG ID=C03210, METLIN ID=65929 ]			Alanopine	+	161.0692	2.462	83.93	C03210	(162.0765, 8216.31)(163.0796, 812.74)	FindByMolecularFeature	C6 H11 N O4	1
alpha-Methylstyrene +1.095	alpha-Methylstyrene [ C9 H10, overall=47.61, db=47.61, CAS ID=98-83-9, KEGG ID=C14395, METLIN ID=70026 ]	98-83-9		alpha-Methylstyrene +1.095	+	118.078	1.095	47.61	C14395	(259.1438, 1157.0)(119.0855, 6184.88)	FindByMolecularFeature	C9 H10	1
alpha-Methylstyrene +7.186	alpha-Methylstyrene [ C9 H10, overall=65.58, db=65.58, CAS ID=98-83-9, KEGG ID=C14395, METLIN ID=70026 ]	98-83-9		alpha-Methylstyrene +7.186	+	140.0587	7.186	65.58	C14395	(141.066, 3182.36)(142.0733, 475.23)	FindByMolecularFeature	C9 H10	1
Amino acid(Arg-) +6.28	Amino acid(Arg-) [ C6 H14 N4 O2, overall=39.11, db=39.11, KEGG ID=C02385, METLIN ID=63425 ]			Amino acid(Arg-) +6.28	+	174.1118	6.28	39.11	C02385	(175.119, 4298.46)(176.1278, 1287.86)	FindByMolecularFeature	C6 H14 N4 O2	1
aminocaproic acid +6.903	aminocaproic acid [ C6 H13 N O2, overall=69.14, db=69.14, CAS ID=60-32-2, KEGG ID=C02378, METLIN ID=3926 ]	60-32-2		aminocaproic acid +6.903	+	131.0946	6.903	69.14	C02378	(132.1018, 7921.84)(133.1043, 1287.08)	FindByMolecularFeature	C6 H13 N O2	1
Ampicilloic acid	Ampicilloic acid [ C16 H21 N3 O5 S, overall=47.91, db=47.91, CAS ID=32746-94-4, METLIN ID=611 ]	32746-94-4		Ampicilloic acid	+	389.1049	1.057	47.91		(390.1122, 2844.81)(391.1094, 1393.19)	FindByMolecularFeature	C16 H21 N3 O5 S	1
AM-toxin I +1.843	AM-toxin I [ C23 H31 N3 O6, overall=66.03, db=66.03, CAS ID=53193-10-5, KEGG ID=C16786, METLIN ID=71340 ]	53193-10-5		AM-toxin I +1.843	+	467.2045	1.843	66.03	C16786	(468.2118, 2040.54)(469.2154, 735.02)	FindByMolecularFeature	C23 H31 N3 O6	1
Anandamide (20:l, n-9)	Anandamide (20:l, n-9) [ C22 H43 N O2, overall=61.93, db=61.93, Lipid ID=LMFA08040010, CAS ID=, METLIN ID=3722 ]			Anandamide (20:l, n-9)	+	353.3292	1.248	61.93		(354.3365, 2371.42)(355.3383, 936.8)	FindByMolecularFeature	C22 H43 N O2	1		LMFA08040010
Anhalonidine +1.574	Anhalonidine [ C12 H17 N O3, overall=36.44, db=36.44, KEGG ID=C16704, METLIN ID=71290 ]			Anhalonidine +1.574	+	223.1227	1.574	36.44	C16704	(224.1298, 3047.8)(447.2556, 560.02)	FindByMolecularFeature	C12 H17 N O3	1
Anhalonidine +2.08	Anhalonidine [ C12 H17 N O3, overall=39.23, db=39.23, KEGG ID=C16704, METLIN ID=71290 ]			Anhalonidine +2.08	+	223.1226	2.08	39.23	C16704	(224.1299, 2331.52)(225.1356, 641.31)	FindByMolecularFeature	C12 H17 N O3	1
Anhalonidine +6.218	Anhalonidine [ C12 H17 N O3, overall=53.54, db=53.54, KEGG ID=C16704, METLIN ID=71290 ]			Anhalonidine +6.218	+	223.1218	6.218	53.54	C16704	(224.129, 2387.66)(225.133, 961.31)	FindByMolecularFeature	C12 H17 N O3	1
anteiso (4E,14-methyl-d16:1) sphingosine	anteiso (4E,14-methyl-d16:1) sphingosine [ C17 H35 N O2, overall=44.11, db=44.11, Lipid ID=LMSP01080006, METLIN ID=53906 ]			anteiso (4E,14-methyl-d16:1) sphingosine	+	285.2666	4.328	44.11		(286.2739, 1527.61)(287.2732, 712.51)	FindByMolecularFeature	C17 H35 N O2	1		LMSP01080006
anteiso (4E,14-methyl-d16:1) sphingosine +1.075	anteiso (4E,14-methyl-d16:1) sphingosine [ C17 H35 N O2, overall=49.21, db=49.21, Lipid ID=LMSP01080006, METLIN ID=53906 ]			anteiso (4E,14-methyl-d16:1) sphingosine +1.075	+	307.2493	1.075	49.21		(308.2566, 2833.39)(309.2507, 900.49)	FindByMolecularFeature	C17 H35 N O2	1		LMSP01080006
Antibiotic JI-20A	Antibiotic JI-20A [ C19 H39 N5 O9, overall=46.43, db=46.43, CAS ID=51846-97-0, KEGG ID=C17704, METLIN ID=71867 ]	51846-97-0		Antibiotic JI-20A	+	481.2755	2.603	46.43	C17704	(482.2828, 2448.16)(499.309, 1264.17)	FindByMolecularFeature	C19 H39 N5 O9	1
Antimony tartrate	Antimony tartrate [ C8 H6 O12 Sb2, overall=40.23, db=40.23, CAS ID=28300-74-5, KEGG ID=C11340, METLIN ID=69003 ]	28300-74-5		Antimony tartrate	+	552.8235	6.626	40.23	C11340	(553.8307, 1522.8)(554.8347, 645.09)	FindByMolecularFeature	C8 H6 O12 Sb2	1
Arborinine +1.935	Arborinine [ C16 H15 N O4, overall=65.39, db=65.39, CAS ID=5489-57-6, KEGG ID=C10643, METLIN ID=68458 ]	5489-57-6		Arborinine +1.935	+	302.127	1.935	65.39	C10643	(303.1343, 3571.31)(304.1335, 983.4)(305.1419, 570.03)	FindByMolecularFeature	C16 H15 N O4	1
Arctiopicrin	Arctiopicrin [ C19 H26 O6, overall=59.34, db=59.34, CAS ID=19889-01-1, KEGG ID=C09297, METLIN ID=67583 ]	19889-01-1		Arctiopicrin	+	350.1726	1.856	59.34	C09297	(351.1799, 2248.87)(352.1838, 1137.48)	FindByMolecularFeature	C19 H26 O6	1
Arecaidine	Arecaidine [ C7 H11 N O2, overall=58.01, db=58.01, CAS ID=499-04-7, KEGG ID=C10128, METLIN ID=68136 ]	499-04-7		Arecaidine	+	158.1056	7.282	58.01	C10128	(159.1128, 6904.35)(160.1095, 1173.53)	FindByMolecularFeature	C7 H11 N O2	1
Arg Gly Cys	Arg Gly Cys [ C11 H22 N6 O4 S, overall=49.13, db=49.13, METLIN ID=22759 ]			Arg Gly Cys	+	334.1421	1.495	49.13		(335.1494, 2015.78)(336.1489, 1064.32)	FindByMolecularFeature	C11 H22 N6 O4 S	1
Arg Leu Arg	Arg Leu Arg [ C18 H37 N9 O4, overall=34.60, db=34.60, METLIN ID=21887 ]			Arg Leu Arg	+	443.2966	1.404	34.6		(466.2818, 691.19)(444.3045, 1182.5)(445.2982, 667.76)	FindByMolecularFeature	C18 H37 N9 O4	1
Arg Leu Ile	Arg Leu Ile [ C18 H36 N6 O4, overall=25.33, db=25.33, METLIN ID=17950 ]			Arg Leu Ile	+	400.2831	1.047	25.33		(401.2904, 833.54)(418.317, 2127.94)	FindByMolecularFeature	C18 H36 N6 O4	1
Arg Phe	Arg Phe [ C15 H23 N5 O3, overall=39.16, db=39.16, METLIN ID=23811 ]			Arg Phe	+	321.1791	1.092	39.16		(322.1864, 2804.68)(323.1854, 1213.83)	FindByMolecularFeature	C15 H23 N5 O3	1
Arg Pro Arg	Arg Pro Arg [ C17 H33 N9 O4, overall=59.08, db=59.08, METLIN ID=18663 ]			Arg Pro Arg	+	427.269	1.428	59.08		(428.2763, 1017.67)(429.2678, 535.16)(430.2783, 763.64)	FindByMolecularFeature	C17 H33 N9 O4	1
Arg Pro Gly	Arg Pro Gly [ C13 H24 N6 O4, overall=61.91, db=61.91, METLIN ID=23292 ]			Arg Pro Gly	+	345.2152	1.089	61.91		(346.2224, 1611.16)(347.2251, 960.2)(348.2186, 1330.17)	FindByMolecularFeature	C13 H24 N6 O4	1
Asp Ala His	Asp Ala His [ C13 H19 N5 O6, overall=49.15, db=49.15, METLIN ID=21847 ]			Asp Ala His	+	341.133	3.771	49.15		(342.1403, 1791.59)(343.1472, 802.66)	FindByMolecularFeature	C13 H19 N5 O6	1
Asp Ala His +3.404	Asp Ala His [ C13 H19 N5 O6, overall=61.34, db=61.34, METLIN ID=21847 ]			Asp Ala His +3.404	+	341.1327	3.404	61.34		(342.14, 3148.04)(343.1479, 818.55)	FindByMolecularFeature	C13 H19 N5 O6	1
Athamantin	Athamantin [ C24 H30 O7, overall=44.89, db=44.89, CAS ID=1892-56-4, KEGG ID=C09123, METLIN ID=67446 ]	1892-56-4		Athamantin	+	430.2002	1.122	44.89	C09123	(431.2075, 2774.46)(448.2337, 580.34)	FindByMolecularFeature	C24 H30 O7	1
Atracurium (Quaternary monoacrylate)	Atracurium (Quaternary monoacrylate) [ C32 H44 N O8, overall=50.67, db=50.67, CAS ID=86293-35-8, METLIN ID=1158 ]	86293-35-8		Atracurium (Quaternary monoacrylate)	+	547.3212	1.507	50.67		(570.3103, 3803.04)(571.3147, 1301.16)(548.3288, 825.33)	FindByMolecularFeature	C32 H44 N O8	1
Atropine	Atropine [ C17 H23 N O3, overall=69.49, db=69.49, CAS ID=51-55-8, KEGG ID=C01479, METLIN ID=1163 ]	51-55-8		Atropine	+	289.1682	4.539	69.49	C01479	(290.1755, 3309.9)(291.1784, 985.15)	FindByMolecularFeature	C17 H23 N O3	1
Avermectin A1a monosaccharide +1.681	Avermectin A1a monosaccharide [ C42 H62 O11, overall=87.51, db=87.51, CAS ID=, KEGG ID=C11982, METLIN ID=63693 ]			Avermectin A1a monosaccharide +1.681	+	759.4548	1.681	87.51	C11982	(760.4621, 8584.33)(761.466, 3270.64)(762.4695, 1452.63)	FindByMolecularFeature	C42 H62 O11	1
Avermectin A1a monosaccharide +1.798	Avermectin A1a monosaccharide [ C42 H62 O11, overall=95.22, db=95.22, CAS ID=, KEGG ID=C11982, METLIN ID=63693 ]			Avermectin A1a monosaccharide +1.798	+	759.4557	1.798	95.22	C11982	(760.463, 9075.23)(761.465, 4523.33)(762.4684, 1449.07)	FindByMolecularFeature	C42 H62 O11	1
Avermectin A2a	Avermectin A2a [ C49 H76 O15, overall=60.46, db=60.46, Lipid ID=LMPK04000023, KEGG ID=C11976, METLIN ID=40987 ]			Avermectin A2a	+	926.501	1.089	60.46	C11976	(927.5082, 3149.43)(928.5132, 1725.03)	FindByMolecularFeature	C49 H76 O15	1		LMPK04000023
Axisothiocyanate 3 +7.993	Axisothiocyanate 3 [ C16 H25 N S, overall=91.66, db=91.66, CAS ID=59633-81-7, KEGG ID=C17007, METLIN ID=71497 ]	59633-81-7		Axisothiocyanate 3 +7.993	+	285.1513	7.993	91.66	C17007	(286.1586, 8752.81)(287.1619, 1500.3)(288.158, 667.52)	FindByMolecularFeature	C16 H25 N S	1
Axisothiocyanate 3 +8.046	Axisothiocyanate 3 [ C16 H25 N S, overall=83.53, db=83.53, CAS ID=59633-81-7, KEGG ID=C17007, METLIN ID=71497 ]	59633-81-7		Axisothiocyanate 3 +8.046	+	285.1508	8.046	83.53	C17007	(286.1581, 12143.57)(287.1609, 1803.48)(288.1602, 589.63)	FindByMolecularFeature	C16 H25 N S	1
Baptifoline	Baptifoline [ C15 H20 N2 O2, overall=58.97, db=58.97, CAS ID=732-50-3, KEGG ID=C10755, METLIN ID=68552 ]	732-50-3		Baptifoline	+	260.1524	4.432	58.97	C10755	(261.1596, 2946.25)(262.1642, 1036.12)	FindByMolecularFeature	C15 H20 N2 O2	1
Barbital +6.54	Barbital [ C8 H12 N2 O3, overall=45.26, db=45.26, CAS ID=57-44-3, METLIN ID=492 ]	57-44-3		Barbital +6.54	+	184.0866	6.54	45.26		(185.095, 1776.85)(202.1193, 3589.97)	FindByMolecularFeature	C8 H12 N2 O3	1
Barbital +7.186	Barbital [ C8 H12 N2 O3, overall=79.18, db=79.18, CAS ID=57-44-3, METLIN ID=492 ]	57-44-3		Barbital +7.186	+	184.0851	7.186	79.18		(185.0923, 6556.91)(186.0958, 965.42)	FindByMolecularFeature	C8 H12 N2 O3	1
BAY-60-7550	BAY-60-7550 [ C27 H32 N4 O4, overall=77.38, db=77.38, CAS ID=439083-90-6, METLIN ID=45308 ]	439083-90-6		BAY-60-7550	+	493.2687	1.358	77.38		(494.276, 3012.44)(495.2811, 903.82)	FindByMolecularFeature	C27 H32 N4 O4	1
Bellendine +6.342	Bellendine [ C12 H15 N O2, overall=52.32, db=52.32, CAS ID=32152-73-1, KEGG ID=C10846, METLIN ID=68626 ]	32152-73-1		Bellendine +6.342	+	205.1113	6.342	52.32	C10846	(206.1185, 1990.86)(207.118, 638.63)	FindByMolecularFeature	C12 H15 N O2	1
Benzoylagmatine +1.195	Benzoylagmatine [ C12 H18 N4 O, overall=24.65, db=24.65, KEGG ID=C02253, METLIN ID=65739 ]			Benzoylagmatine +1.195	+	251.1733	1.195	24.65	C02253	(252.1792, 1333.18)(269.2092, 1072.7)(270.2099, 639.58)(271.1969, 1141.17)	FindByMolecularFeature	C12 H18 N4 O	1
Benzoylagmatine +9.124	Benzoylagmatine [ C12 H18 N4 O, overall=47.73, db=47.73, KEGG ID=C02253, METLIN ID=65739 ]			Benzoylagmatine +9.124	+	251.1718	9.124	47.73	C02253	(252.1791, 3313.24)(253.185, 811.3)	FindByMolecularFeature	C12 H18 N4 O	1
Benzphetamine	Benzphetamine [ C17 H21 N, overall=45.70, db=45.70, CAS ID=156-08-1, KEGG ID=C07538, METLIN ID=66673 ]	156-08-1		Benzphetamine	+	239.1661	1.341	45.7	C07538	(240.174, 2160.8)(479.3362, 1265.22)	FindByMolecularFeature	C17 H21 N	1
benzylazanium	benzylazanium [ C7 H9 N, overall=60.10, db=60.10, CAS ID=100-46-9, KEGG ID=C15562, METLIN ID=24056 ]	100-46-9		benzylazanium	+	107.0733	5.338	60.1	C15562	(108.0806, 5827.33)(109.0831, 1407.44)	FindByMolecularFeature	C7 H9 N	1
Benzylsuccinate	Benzylsuccinate [ C11 H12 O4, overall=46.81, db=46.81, KEGG ID=C09816, METLIN ID=67953 ]			Benzylsuccinate	+	208.0745	1.312	46.81	C09816	(209.0833, 2514.75)(226.1078, 7490.67)	FindByMolecularFeature	C11 H12 O4	1
Berbamunine +2.626	Berbamunine [ C36 H40 N2 O6, overall=52.39, db=52.39, CAS ID=485-18-7, KEGG ID=C05177, METLIN ID=64382 ]	485-18-7		Berbamunine +2.626	+	618.2704	2.626	52.39	C05177	(619.2777, 1179.54)(620.2824, 819.48)(621.2917, 851.45)	FindByMolecularFeature	C36 H40 N2 O6	1
Bestatin +3.431	Bestatin [ C16 H24 N2 O4, overall=76.41, db=76.41, CAS ID=65391-42-6, KEGG ID=C00732, METLIN ID=63060 ]	65391-42-6		Bestatin +3.431	+	308.1741	3.431	76.41	C00732	(309.1813, 3935.48)(310.1832, 959.89)	FindByMolecularFeature	C16 H24 N2 O4	1
beta-D-Gentiobiosyl crocetin	beta-D-Gentiobiosyl crocetin [ C32 H44 O14, overall=56.86, db=56.86, KEGG ID=C19869, METLIN ID=73402 ]			beta-D-Gentiobiosyl crocetin	+	652.2738	1.368	56.86	C19869	(653.2811, 1704.1)(654.2857, 1117.34)	FindByMolecularFeature	C32 H44 O14	1
Bifenazate +2.0	Bifenazate [ C17 H20 N2 O3, overall=76.77, db=76.77, CAS ID=149877-41-8, KEGG ID=C18589, METLIN ID=72390 ]	149877-41-8		Bifenazate +2.0	+	300.1477	2	76.77	C18589	(301.155, 4501.36)(302.1579, 564.11)	FindByMolecularFeature	C17 H20 N2 O3	1
Biopterin	Biopterin [ C9 H11 N5 O3, overall=70.63, db=70.63, CAS ID=22150-76-1, KEGG ID=C06313, METLIN ID=247, HMP ID=HMDB00468 ]	22150-76-1		Biopterin	+	237.0868	3.368	70.63	C06313	(238.0941, 6330.4)(239.0985, 1109.67)	FindByMolecularFeature	C9 H11 N5 O3	1	HMDB00468
Bis(glycerophospho)-glycerol	Bis(glycerophospho)-glycerol [ C9 H22 O13 P2, overall=43.05, db=43.05, KEGG ID=C03853, METLIN ID=66064 ]			Bis(glycerophospho)-glycerol	+	417.0787	3.59	43.05	C03853	(418.0859, 1687.49)(419.0851, 420.39)	FindByMolecularFeature	C9 H22 O13 P2	1
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe +1.408	Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe [ C33 H44 N4 O7, overall=61.08, db=61.08, METLIN ID=65475 ]			Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe +1.408	+	608.319	1.408	61.08		(609.3263, 2642.6)(610.332, 1261.97)	FindByMolecularFeature	C33 H44 N4 O7	1
butalbital +3.475	butalbital [ C11 H16 N2 O3, overall=52.38, db=52.38, CAS ID=77-26-9, METLIN ID=3941 ]	77-26-9		butalbital +3.475	+	224.1166	3.475	52.38		(225.1239, 2812.15)(226.1218, 785.53)	FindByMolecularFeature	C11 H16 N2 O3	1
butalbital +4.157	butalbital [ C11 H16 N2 O3, overall=71.39, db=71.39, CAS ID=77-26-9, METLIN ID=3941 ]	77-26-9		butalbital +4.157	+	224.1165	4.157	71.39		(225.1238, 4220.12)(226.1263, 918.95)	FindByMolecularFeature	C11 H16 N2 O3	1
butalbital +6.476	butalbital [ C11 H16 N2 O3, overall=66.28, db=66.28, CAS ID=77-26-9, METLIN ID=3941 ]	77-26-9		butalbital +6.476	+	224.1174	6.476	66.28		(247.1088, 790.12)(225.1244, 4352.42)(226.1213, 878.8)	FindByMolecularFeature	C11 H16 N2 O3	1
butalbital +6.48	butalbital [ C11 H16 N2 O3, overall=69.22, db=69.22, CAS ID=77-26-9, METLIN ID=3941 ]	77-26-9		butalbital +6.48	+	202.1331	6.48	69.22		(225.1236, 5648.91)(226.1228, 1063.35)(203.1391, 5403.38)	FindByMolecularFeature	C11 H16 N2 O3	1
Butopyronoxyl +1.1	Butopyronoxyl [ C12 H18 O4, overall=57.95, db=57.95, CAS ID=532-34-3, KEGG ID=C19142, METLIN ID=72883 ]	532-34-3		Butopyronoxyl +1.1	+	243.1474	1.1	57.95	C19142	(244.1547, 2731.12)(245.1514, 639.69)	FindByMolecularFeature	C12 H18 O4	1
BW 723C86	BW 723C86 [ C16 H18 N2 O S, overall=48.95, db=48.95, CAS ID=160521-72-2, METLIN ID=64854 ]	160521-72-2		BW 723C86	+	286.1173	3.169	48.95		(287.1245, 2030.89)(288.1187, 854.24)	FindByMolecularFeature	C16 H18 N2 O S	1
BW 723C86 +6.46	BW 723C86 [ C16 H18 N2 O S, overall=20.16, db=20.16, CAS ID=160521-72-2, METLIN ID=64854 ]	160521-72-2		BW 723C86 +6.46	+	286.1167	6.46	20.16		(309.108, 627.04)(287.1246, 1781.47)(573.2371, 917.27)	FindByMolecularFeature	C16 H18 N2 O S	1
C10 Cl N O9 S5	[ C10 Cl N O9 S5, overall=23.72, db=0.00, mfg=47.44 ]			C10 Cl N O9 S5	+	472.7861	6.315	23.72		(473.7935, 7426.42)(946.5787, 2367.57)(947.5797, 1222.98)	FindByMolecularFeature	C10 Cl N O9 S5	1
C10 H13 N4 O3	[ C10 H13 N4 O3, overall=34.48, db=0.00, mfg=68.96 ]			C10 H13 N4 O3	+	237.0996	6.24	34.48		(238.1086, 2995.01)(239.1091, 900.1)(255.133, 4544.41)(256.1355, 1057.37)	FindByMolecularFeature	C10 H13 N4 O3	1
C10 H17 N5 O3 +2.872	[ C10 H17 N5 O3, overall=41.52, db=0.00, mfg=83.03 ]			C10 H17 N5 O3 +2.872	+	255.1325	2.872	41.52		(256.1398, 15264.1)(257.1418, 2361.12)	FindByMolecularFeature	C10 H17 N5 O3	1
C10 H19 N O S	[ C10 H19 N O S, overall=23.70, db=0.00, mfg=47.40 ]			C10 H19 N O S	+	201.1188	1.548	23.7		(202.1258, 3940.17)(403.2482, 744.61)	FindByMolecularFeature	C10 H19 N O S	1
C10 H19 N O2 S5	[ C10 H19 N O2 S5, overall=23.81, db=0.00, mfg=47.61 ]			C10 H19 N O2 S5	+	345.0017	7.784	23.81		(367.9911, 1369.02)(346.0089, 4330.89)	FindByMolecularFeature	C10 H19 N O2 S5	1
C10 H20 N5 O2	[ C10 H20 N5 O2, overall=23.43, db=0.00, mfg=46.87 ]			C10 H20 N5 O2	+	242.1618	6.829	23.43		(265.1488, 697.66)(243.1694, 1967.96)	FindByMolecularFeature	C10 H20 N5 O2	1
C10 H22 N7 O S	[ C10 H22 N7 O S, overall=33.57, db=0.00, mfg=67.15 ]			C10 H22 N7 O S	+	288.1614	1.086	33.57		(289.1669, 1311.46)(306.1956, 3699.88)(307.1868, 403.79)	FindByMolecularFeature	C10 H22 N7 O S	1
C10 H24 Cl N3 O2 S	[ C10 H24 Cl N3 O2 S, overall=23.81, db=0.00, mfg=47.62 ]			C10 H24 Cl N3 O2 S	+	285.1241	1.212	23.81		(308.117, 560.01)(286.1313, 23547.54)(571.2558, 706.63)	FindByMolecularFeature	C10 H24 Cl N3 O2 S	1
C10 H24 N4 O S	[ C10 H24 N4 O S, overall=23.55, db=0.00, mfg=47.09 ]			C10 H24 N4 O S	+	248.166	1.278	23.55		(271.1538, 1015.99)(249.174, 4449.36)	FindByMolecularFeature	C10 H24 N4 O S	1
C10 H26 N6 S	[ C10 H26 N6 S, overall=23.81, db=0.00, mfg=47.61 ]			C10 H26 N6 S	+	262.1966	1.107	23.81		(285.1867, 1202.31)(263.2012, 904.12)	FindByMolecularFeature	C10 H26 N6 S	1
C11 H10 N4 O	[ C11 H10 N4 O, overall=23.79, db=0.00, mfg=47.59 ]			C11 H10 N4 O	+	214.0848	1.853	23.79		(215.092, 4205.97)(232.1192, 916.03)	FindByMolecularFeature	C11 H10 N4 O	1
C11 H18 N2 O2	[ C11 H18 N2 O2, overall=23.81, db=0.00, mfg=47.62 ]			C11 H18 N2 O2	+	210.1361	6.058	23.81		(233.1225, 1040.02)(211.1441, 2439.79)	FindByMolecularFeature	C11 H18 N2 O2	1
C11 H18 O3	[ C11 H18 O3, overall=22.86, db=0.00, mfg=45.72 ]			C11 H18 O3	+	198.1265	1.251	22.86		(419.2435, 830.75)(199.1335, 1029.27)(397.2601, 1062.43)	FindByMolecularFeature	C11 H18 O3	1
C11 H19 N5	[ C11 H19 N5, overall=39.47, db=0.00, mfg=78.95 ]			C11 H19 N5	+	221.164	5.434	39.47		(222.1713, 4345.23)(223.1733, 860.72)	FindByMolecularFeature	C11 H19 N5	1
C11 H20 N7	[ C11 H20 N7, overall=32.82, db=0.00, mfg=65.63 ]			C11 H20 N7	+	250.1783	1.294	32.82		(251.1855, 7252.21)(252.1889, 1908.97)	FindByMolecularFeature	C11 H20 N7	1
C11 H23 N4 O2 S2	[ C11 H23 N4 O2 S2, overall=23.81, db=0.00, mfg=47.62 ]			C11 H23 N4 O2 S2	+	307.1267	6.534	23.81		(330.1165, 1530.54)(308.1335, 1149.48)	FindByMolecularFeature	C11 H23 N4 O2 S2	1
C11 H24 N2 O2	[ C11 H24 N2 O2, overall=21.51, db=0.00, mfg=43.01 ]			C11 H24 N2 O2	+	216.1814	1.304	21.51		(217.1886, 4554.98)(218.1925, 1306.66)	FindByMolecularFeature	C11 H24 N2 O2	1
C11 H24 N8	[ C11 H24 N8, overall=23.73, db=0.00, mfg=47.45 ]			C11 H24 N8	+	268.2119	1.172	23.73		(291.2014, 3386.49)(269.2186, 1208.89)	FindByMolecularFeature	C11 H24 N8	1
C11 H32 N14 O	[ C11 H32 N14 O, overall=37.96, db=0.00, mfg=75.92 ]			C11 H32 N14 O	+	376.2873	1.148	37.96		(377.2946, 5664.85)(378.2959, 1330.02)	FindByMolecularFeature	C11 H32 N14 O	1
C12 H14 N3	[ C12 H14 N3, overall=23.66, db=0.00, mfg=47.32 ]			C12 H14 N3	+	200.1175	1.376	23.66		(201.1258, 1007.73)(401.2412, 1433.04)	FindByMolecularFeature	C12 H14 N3	1
C12 H14 N6 O	[ C12 H14 N6 O, overall=23.78, db=0.00, mfg=47.56 ]			C12 H14 N6 O	+	258.1222	2.911	23.78		(281.112, 948.0)(259.1293, 1678.21)(260.134, 676.52)(261.1268, 507.78)	FindByMolecularFeature	C12 H14 N6 O	1
C12 H18 N3 O3	[ C12 H18 N3 O3, overall=23.72, db=0.00, mfg=47.44 ]			C12 H18 N3 O3	+	252.1336	1.347	23.72		(527.2544, 1148.02)(253.1423, 917.9)	FindByMolecularFeature	C12 H18 N3 O3	1
C12 H23 N7	[ C12 H23 N7, overall=23.81, db=0.00, mfg=47.62 ]			C12 H23 N7	+	265.2021	1.131	23.81		(266.211, 902.06)(531.4103, 2377.12)	FindByMolecularFeature	C12 H23 N7	1
C12 H25 Cl N2	[ C12 H25 Cl N2, overall=23.68, db=0.00, mfg=47.36 ]			C12 H25 Cl N2	+	232.1704	1.572	23.68		(255.1601, 8806.71)(233.1753, 1961.53)	FindByMolecularFeature	C12 H25 Cl N2	1
C12 H25 N8 O3	[ C12 H25 N8 O3, overall=42.83, db=0.00, mfg=85.66 ]			C12 H25 N8 O3	+	329.2055	3.448	42.83		(330.2128, 3347.0)(331.2145, 528.64)	FindByMolecularFeature	C12 H25 N8 O3	1
C12 H27 Cl N S2	[ C12 H27 Cl N S2, overall=23.81, db=0.00, mfg=47.62 ]			C12 H27 Cl N S2	+	284.1275	1.462	23.81		(285.1349, 1186.44)(302.1612, 1194.45)	FindByMolecularFeature	C12 H27 Cl N S2	1
C12 H28 N O2 S	[ C12 H28 N O2 S, overall=23.80, db=0.00, mfg=47.61 ]			C12 H28 N O2 S	+	250.1848	1.088	23.8		(251.1914, 980.46)(518.4049, 1296.28)	FindByMolecularFeature	C12 H28 N O2 S	1
C13 H N2 O2 S4	[ C13 H N2 O2 S4, overall=23.81, db=0.00, mfg=47.62 ]			C13 H N2 O2 S4	+	344.8918	5.863	23.81		(345.8972, 736.3)(362.9259, 3058.49)	FindByMolecularFeature	C13 H N2 O2 S4	1
C13 H18	[ C13 H18, overall=23.81, db=0.00, mfg=47.62 ]			C13 H18	+	174.1422	1.23	23.81		(175.1481, 1721.97)(349.294, 2535.83)(350.2989, 1008.56)	FindByMolecularFeature	C13 H18	1
C13 H18 N6 O4	[ C13 H18 N6 O4, overall=39.98, db=0.00, mfg=79.96 ]			C13 H18 N6 O4	+	322.138	7.496	39.98		(323.1453, 3010.03)(324.1503, 508.46)	FindByMolecularFeature	C13 H18 N6 O4	1
C13 H19 Cl N10	[ C13 H19 Cl N10, overall=23.80, db=0.00, mfg=47.59 ]			C13 H19 Cl N10	+	350.1493	1.138	23.8		(351.1572, 1841.59)(368.182, 1306.74)	FindByMolecularFeature	C13 H19 Cl N10	1
C13 H21 N5 O2	[ C13 H21 N5 O2, overall=23.81, db=0.00, mfg=47.62 ]			C13 H21 N5 O2	+	279.1701	1.123	23.81		(280.1768, 1326.96)(297.2046, 1224.68)	FindByMolecularFeature	C13 H21 N5 O2	1
C13 H22 N2 S	[ C13 H22 N2 S, overall=26.44, db=0.00, mfg=52.88 ]			C13 H22 N2 S	+	238.1514	1.186	26.44		(239.1588, 3093.2)(240.1572, 955.54)(477.309, 1831.64)(478.3186, 936.76)	FindByMolecularFeature	C13 H22 N2 S	1
C13 H33 N4 O3	[ C13 H33 N4 O3, overall=28.02, db=0.00, mfg=56.04 ]			C13 H33 N4 O3	+	293.256	1.185	28.02		(294.2633, 3179.79)(295.263, 1005.39)	FindByMolecularFeature	C13 H33 N4 O3	1
C14 H20 N8 O8	[ C14 H20 N8 O8, overall=41.18, db=0.00, mfg=82.36 ]			C14 H20 N8 O8	+	428.1401	6.238	41.18		(451.1304, 1732.64)(429.1473, 21421.37)(430.1509, 4287.45)	FindByMolecularFeature	C14 H20 N8 O8	1
C14 H24 O4	[ C14 H24 O4, overall=23.80, db=0.00, mfg=47.59 ]			C14 H24 O4	+	256.1682	1.179	23.8		(257.1759, 1955.03)(274.2012, 1173.44)	FindByMolecularFeature	C14 H24 O4	1
C14 H25 O10	[ C14 H25 O10, overall=23.81, db=0.00, mfg=47.62 ]			C14 H25 O10	+	353.1447	6.264	23.81		(376.134, 762.97)(354.1519, 2981.95)	FindByMolecularFeature	C14 H25 O10	1
C14 H29 N O3	[ C14 H29 N O3, overall=23.52, db=0.00, mfg=47.05 ]			C14 H29 N O3	+	259.2151	1.174	23.52		(282.2045, 1081.9)(260.2224, 1885.02)	FindByMolecularFeature	C14 H29 N O3	1
C14 H29 N2 O2 S	[ C14 H29 N2 O2 S, overall=23.80, db=0.00, mfg=47.61 ]			C14 H29 N2 O2 S	+	289.1949	1.083	23.8		(312.1843, 765.2)(290.2022, 2964.38)	FindByMolecularFeature	C14 H29 N2 O2 S	1
C14 H29 N3 O2	[ C14 H29 N3 O2, overall=42.14, db=0.00, mfg=84.27 ]			C14 H29 N3 O2	+	271.2259	5.855	42.14		(272.2332, 4173.85)(273.2366, 818.98)	FindByMolecularFeature	C14 H29 N3 O2	1
C14 H29 N4 O3	[ C14 H29 N4 O3, overall=23.71, db=0.00, mfg=47.41 ]			C14 H29 N4 O3	+	301.2259	1.069	23.71		(324.2162, 1766.11)(302.231, 1339.15)	FindByMolecularFeature	C14 H29 N4 O3	1
C14 H31 Cl N2	[ C14 H31 Cl N2, overall=23.80, db=0.00, mfg=47.61 ]			C14 H31 Cl N2	+	262.2179	1.276	23.8		(285.2075, 1149.98)(263.2248, 1633.33)	FindByMolecularFeature	C14 H31 Cl N2	1
C14 H35 N11 O6	[ C14 H35 N11 O6, overall=39.11, db=0.00, mfg=78.22 ]			C14 H35 N11 O6	+	453.2769	7.2	39.11		(454.2842, 4026.2)(455.2898, 763.83)	FindByMolecularFeature	C14 H35 N11 O6	1
C15 H17 Cl N	[ C15 H17 Cl N, overall=23.81, db=0.00, mfg=47.62 ]			C15 H17 Cl N	+	246.1065	1.08	23.81		(247.1144, 1197.05)(493.2172, 1065.32)	FindByMolecularFeature	C15 H17 Cl N	1
C15 H23 N O9	[ C15 H23 N O9, overall=23.81, db=0.00, mfg=47.62 ]			C15 H23 N O9	+	361.1377	3.751	23.81		(384.1265, 924.31)(362.1453, 1091.89)	FindByMolecularFeature	C15 H23 N O9	1
C15 H23 N5 O	[ C15 H23 N5 O, overall=31.83, db=0.00, mfg=63.66 ]			C15 H23 N5 O	+	289.1899	1.279	31.83		(290.1972, 4398.76)(291.1989, 1394.39)	FindByMolecularFeature	C15 H23 N5 O	1
C15 H24 N2 O4	[ C15 H24 N2 O4, overall=41.02, db=0.00, mfg=82.05 ]			C15 H24 N2 O4	+	296.1737	6.645	41.02		(319.1649, 876.0)(297.1808, 6733.41)(298.1837, 1440.2)	FindByMolecularFeature	C15 H24 N2 O4	1
C15 H29 N4 O3	[ C15 H29 N4 O3, overall=23.57, db=0.00, mfg=47.15 ]			C15 H29 N4 O3	+	313.2239	1.125	23.57		(336.2128, 1334.03)(314.2322, 1301.51)	FindByMolecularFeature	C15 H29 N4 O3	1
C15 H30 Cl N3 O	[ C15 H30 Cl N3 O, overall=23.81, db=0.00, mfg=47.62 ]			C15 H30 Cl N3 O	+	303.2079	1.084	23.81		(326.198, 883.76)(304.215, 2063.63)	FindByMolecularFeature	C15 H30 Cl N3 O	1
C15 H31 O8	[ C15 H31 O8, overall=35.76, db=0.00, mfg=71.51 ]			C15 H31 O8	+	339.2021	5.386	35.76		(340.2096, 1298.89)(357.2359, 27365.19)(358.2384, 2406.71)	FindByMolecularFeature	C15 H31 O8	1
C15 H32 N2 O	[ C15 H32 N2 O, overall=36.91, db=0.00, mfg=73.82 ]			C15 H32 N2 O	+	256.2515	5.204	36.91		(257.2588, 2542.75)(258.2633, 625.38)	FindByMolecularFeature	C15 H32 N2 O	1
C15 H34 N3 O3 +1.114	[ C15 H34 N3 O3, overall=23.81, db=0.00, mfg=47.61 ]			C15 H34 N3 O3 +1.114	+	304.258	1.114	23.81		(305.2634, 1279.15)(322.2938, 1239.19)	FindByMolecularFeature	C15 H34 N3 O3	1
C16 H15 N3	[ C16 H15 N3, overall=23.80, db=0.00, mfg=47.60 ]			C16 H15 N3	+	249.128	1.715	23.8		(250.1338, 2182.76)(267.1624, 4680.62)	FindByMolecularFeature	C16 H15 N3	1
C16 H18	[ C16 H18, overall=38.55, db=0.00, mfg=77.09 ]			C16 H18	+	210.1414	3.032	38.55		(211.1487, 4258.71)(212.154, 849.48)	FindByMolecularFeature	C16 H18	1
C16 H23 Cl N O	[ C16 H23 Cl N O, overall=23.79, db=0.00, mfg=47.59 ]			C16 H23 Cl N O	+	280.146	1.691	23.79		(303.1345, 1009.66)(281.154, 1577.56)	FindByMolecularFeature	C16 H23 Cl N O	1
C16 H27 N3 O2	[ C16 H27 N3 O2, overall=28.22, db=0.00, mfg=56.43 ]			C16 H27 N3 O2	+	293.2092	8.112	28.22		(316.1972, 702.14)(294.2167, 1933.38)(295.2227, 676.34)	FindByMolecularFeature	C16 H27 N3 O2	1
C16 H29 O S	[ C16 H29 O S, overall=23.57, db=0.00, mfg=47.13 ]			C16 H29 O S	+	269.1959	1.095	23.57		(292.1835, 1679.39)(270.2055, 1495.54)	FindByMolecularFeature	C16 H29 O S	1
C16 H30 N5	[ C16 H30 N5, overall=23.74, db=0.00, mfg=47.47 ]			C16 H30 N5	+	292.2506	1.188	23.74		(293.2576, 1156.92)(310.2845, 1333.24)	FindByMolecularFeature	C16 H30 N5	1
C16 H31 N2 O2 +9.27	[ C16 H31 N2 O2, overall=39.84, db=0.00, mfg=79.67 ]			C16 H31 N2 O2 +9.27	+	283.2391	9.27	39.84		(284.2464, 16333.56)(285.2515, 2834.77)	FindByMolecularFeature	C16 H31 N2 O2	1
C16 H33 N8	[ C16 H33 N8, overall=31.42, db=0.00, mfg=62.84 ]			C16 H33 N8	+	337.2825	1.243	31.42		(338.2897, 2434.2)(339.2914, 873.86)	FindByMolecularFeature	C16 H33 N8	1
C16 H35 N11 O4	[ C16 H35 N11 O4, overall=41.81, db=0.00, mfg=83.63 ]			C16 H35 N11 O4	+	445.2879	3.547	41.81		(446.2952, 3724.87)(447.2964, 764.9)	FindByMolecularFeature	C16 H35 N11 O4	1
C16 H42 Cl N9	[ C16 H42 Cl N9, overall=37.21, db=0.00, mfg=74.43 ]			C16 H42 Cl N9	+	395.3249	1.326	37.21		(396.3322, 2826.92)(397.3354, 843.02)(398.328, 655.92)	FindByMolecularFeature	C16 H42 Cl N9	1
C16 H42 N15 O7 +7.799	[ C16 H42 N15 O7, overall=30.47, db=0.00, mfg=60.94 ]			C16 H42 N15 O7 +7.799	+	556.3391	7.799	30.47		(557.3464, 10147.54)(558.3489, 646.79)	FindByMolecularFeature	C16 H42 N15 O7	1
C16 H8 O3	[ C16 H8 O3, overall=23.81, db=0.00, mfg=47.61 ]			C16 H8 O3	+	248.0471	2.742	23.81		(271.0366, 766.93)(249.0543, 3496.01)	FindByMolecularFeature	C16 H8 O3	1
C17 H27 Cl N2 O3 S	[ C17 H27 Cl N2 O3 S, overall=23.81, db=0.00, mfg=47.62 ]			C17 H27 Cl N2 O3 S	+	374.1433	2.804	23.81		(397.1327, 1412.38)(375.1504, 1027.19)	FindByMolecularFeature	C17 H27 Cl N2 O3 S	1
C17 H3 N3 O6	[ C17 H3 N3 O6, overall=41.26, db=0.00, mfg=82.53 ]			C17 H3 N3 O6	+	345.002	7.752	41.26		(346.0093, 3929.75)(347.0137, 807.5)	FindByMolecularFeature	C17 H3 N3 O6	1
C17 H33 N11	[ C17 H33 N11, overall=32.34, db=0.00, mfg=64.67 ]			C17 H33 N11	+	391.2916	1.378	32.34		(392.2988, 2205.5)(393.2999, 784.8)	FindByMolecularFeature	C17 H33 N11	1
C17 H34 N19 O	[ C17 H34 N19 O, overall=41.29, db=0.00, mfg=82.58 ]			C17 H34 N19 O	+	520.3199	3.401	41.29		(521.3272, 3926.61)(522.3297, 901.42)	FindByMolecularFeature	C17 H34 N19 O	1
C17 H37 N +4.027	[ C17 H37 N, overall=43.34, db=0.00, mfg=86.69 ]			C17 H37 N +4.027	+	255.2928	4.027	43.34		(256.3001, 4104.64)(257.3036, 756.17)	FindByMolecularFeature	C17 H37 N	1
C17 H38 N17 O5	[ C17 H38 N17 O5, overall=37.60, db=0.00, mfg=75.20 ]			C17 H38 N17 O5	+	560.3227	4.238	37.6		(561.33, 3765.78)(562.3347, 1064.85)	FindByMolecularFeature	C17 H38 N17 O5	1
C17 H42 Cl N15	[ C17 H42 Cl N15, overall=36.53, db=0.00, mfg=73.07 ]			C17 H42 Cl N15	+	491.3449	1.109	36.53		(492.3521, 1646.52)(493.3501, 457.99)(494.3476, 757.04)	FindByMolecularFeature	C17 H42 Cl N15	1
C17 H42 Cl2 N9 +1.685	[ C17 H42 Cl2 N9, overall=23.81, db=0.00, mfg=47.61 ]			C17 H42 Cl2 N9 +1.685	+	442.2921	1.685	23.81		(465.2833, 1137.0)(443.2984, 1201.21)	FindByMolecularFeature	C17 H42 Cl2 N9	1
C17 H42 N12 O2 S	[ C17 H42 N12 O2 S, overall=31.39, db=0.00, mfg=62.78 ]			C17 H42 N12 O2 S	+	478.3278	1.251	31.39		(479.335, 3398.02)(480.3399, 495.04)	FindByMolecularFeature	C17 H42 N12 O2 S	1
C17 H45 Cl N9 S2	[ C17 H45 Cl N9 S2, overall=23.77, db=0.00, mfg=47.54 ]			C17 H45 Cl N9 S2	+	474.2968	1.335	23.77		(475.3052, 1621.22)(476.3111, 1101.85)(492.3268, 686.56)	FindByMolecularFeature	C17 H45 Cl N9 S2	1
C18 H37 N8 O	[ C18 H37 N8 O, overall=42.49, db=0.00, mfg=84.97 ]			C18 H37 N8 O	+	381.309	1.34	42.49		(382.3163, 4162.93)(383.3186, 849.19)	FindByMolecularFeature	C18 H37 N8 O	1
C18 H49 N14 O7 S	[ C18 H49 N14 O7 S, overall=42.04, db=0.00, mfg=84.08 ]			C18 H49 N14 O7 S	+	605.3623	7.076	42.04		(606.3695, 8292.37)(607.3725, 1655.33)(608.3805, 705.95)	FindByMolecularFeature	C18 H49 N14 O7 S	1
C18 O19 S2 +6.838	[ C18 O19 S2, overall=19.95, db=0.00, mfg=39.89 ]			C18 O19 S2 +6.838	+	583.8517	6.838	19.95		(584.859, 5842.68)(585.8618, 807.44)	FindByMolecularFeature	C18 O19 S2	1
C19 H N3 O17 S2	[ C19 H N3 O17 S2, overall=23.77, db=0.00, mfg=47.54 ]			C19 H N3 O17 S2	+	606.8714	7.053	23.77		(607.8787, 9434.53)(608.8817, 1500.37)	FindByMolecularFeature	C19 H N3 O17 S2	1
C19 H16 O	[ C19 H16 O, overall=39.41, db=0.00, mfg=78.82 ]			C19 H16 O	+	260.1205	6.46	39.41		(261.1278, 3177.64)(262.1311, 845.14)	FindByMolecularFeature	C19 H16 O	1
C19 H2 N O22 S +6.928	[ C19 H2 N O22 S, overall=28.35, db=0.00, mfg=56.70 ]			C19 H2 N O22 S +6.928	+	627.8766	6.928	28.35		(628.8839, 8545.74)(629.8874, 1091.48)	FindByMolecularFeature	C19 H2 N O22 S	1
C19 H2 N O22 S +7.27	[ C19 H2 N O22 S, overall=30.91, db=0.00, mfg=61.83 ]			C19 H2 N O22 S +7.27	+	627.8769	7.27	30.91		(628.8842, 5726.53)(629.8878, 1181.47)	FindByMolecularFeature	C19 H2 N O22 S	1
C19 H3 N O22 S	[ C19 H3 N O22 S, overall=29.02, db=0.00, mfg=58.04 ]			C19 H3 N O22 S	+	628.8847	7.159	29.02		(629.892, 7304.18)(630.8944, 1013.55)	FindByMolecularFeature	C19 H3 N O22 S	1
C19 H40 Cl N4 O2	[ C19 H40 Cl N4 O2, overall=23.80, db=0.00, mfg=47.60 ]			C19 H40 Cl N4 O2	+	391.2826	1.331	23.8		(392.2887, 1879.93)(393.2968, 1459.76)(783.5751, 920.63)	FindByMolecularFeature	C19 H40 Cl N4 O2	1
C19 H41 Cl N O5	[ C19 H41 Cl N O5, overall=23.81, db=0.00, mfg=47.62 ]			C19 H41 Cl N O5	+	398.2671	1.049	23.81		(399.2746, 1415.73)(416.3007, 1656.77)(417.3026, 923.61)	FindByMolecularFeature	C19 H41 Cl N O5	1
C19 H46 N5 O11	[ C19 H46 N5 O11, overall=38.30, db=0.00, mfg=76.59 ]			C19 H46 N5 O11	+	520.3196	3.572	38.3		(521.3269, 8600.45)(522.3323, 1788.07)	FindByMolecularFeature	C19 H46 N5 O11	1
C20 H N O18 S2	[ C20 H N O18 S2, overall=25.98, db=0.00, mfg=51.97 ]			C20 H N O18 S2	+	606.8667	6.845	25.98		(607.8739, 5128.95)(608.8604, 872.22)	FindByMolecularFeature	C20 H N O18 S2	1
C20 H26 Cl O S	[ C20 H26 Cl O S, overall=23.81, db=0.00, mfg=47.62 ]			C20 H26 Cl O S	+	349.1379	3.104	23.81		(372.1285, 604.53)(350.145, 2749.62)	FindByMolecularFeature	C20 H26 Cl O S	1
C20 H28 N O2	[ C20 H28 N O2, overall=23.79, db=0.00, mfg=47.57 ]			C20 H28 N O2	+	314.2111	1.075	23.79		(315.2194, 1283.83)(332.2441, 1793.95)(333.2462, 774.44)	FindByMolecularFeature	C20 H28 N O2	1
C20 H35 N6 O3	[ C20 H35 N6 O3, overall=39.74, db=0.00, mfg=79.49 ]			C20 H35 N6 O3	+	407.2782	1.509	39.74		(430.2692, 1461.17)(408.2849, 4384.17)(409.2867, 1241.85)	FindByMolecularFeature	C20 H35 N6 O3	1
C20 H36 N4 O2	[ C20 H36 N4 O2, overall=41.56, db=0.00, mfg=83.12 ]			C20 H36 N4 O2	+	364.2841	1.294	41.56		(365.2883, 949.5)(382.3181, 4231.34)(383.3209, 1104.54)	FindByMolecularFeature	C20 H36 N4 O2	1
C20 H37 N5 O3	[ C20 H37 N5 O3, overall=23.80, db=0.00, mfg=47.61 ]			C20 H37 N5 O3	+	395.2893	1.085	23.8		(418.2788, 2704.03)(396.2964, 1584.57)	FindByMolecularFeature	C20 H37 N5 O3	1
C20 H42 O6	[ C20 H42 O6, overall=42.19, db=0.00, mfg=84.38 ]			C20 H42 O6	+	378.2982	1.269	42.19		(379.3043, 723.34)(396.3322, 7708.51)(397.3362, 2147.73)(398.3365, 939.74)	FindByMolecularFeature	C20 H42 O6	1
C20 H44 S2	[ C20 H44 S2, overall=44.10, db=0.00, mfg=88.20 ]			C20 H44 S2	+	348.2872	1.224	44.1		(349.2945, 2295.31)(366.321, 9341.89)(367.3252, 2281.81)(368.3172, 1407.23)	FindByMolecularFeature	C20 H44 S2	1
C20 H47 N4 O4	[ C20 H47 N4 O4, overall=40.73, db=0.00, mfg=81.45 ]			C20 H47 N4 O4	+	407.3606	1.203	40.73		(408.3679, 8632.59)(409.3698, 1848.78)	FindByMolecularFeature	C20 H47 N4 O4	1
C20 H50 N10 O11	[ C20 H50 N10 O11, overall=31.03, db=0.00, mfg=62.06 ]			C20 H50 N10 O11	+	606.3659	6.774	31.03		(607.3731, 11042.12)(608.3758, 1112.35)	FindByMolecularFeature	C20 H50 N10 O11	1
C20 H50 N9 O S	[ C20 H50 N9 O S, overall=23.79, db=0.00, mfg=47.59 ]			C20 H50 N9 O S	+	464.3861	1.054	23.79		(465.3933, 755.35)(482.42, 2009.11)	FindByMolecularFeature	C20 H50 N9 O S	1
C20 H7 N5	[ C20 H7 N5, overall=39.99, db=0.00, mfg=79.98 ]			C20 H7 N5	+	317.0694	4.114	39.99		(318.0767, 2885.42)(319.0783, 723.91)	FindByMolecularFeature	C20 H7 N5	1
C21 H N3 O3	[ C21 H N3 O3, overall=33.93, db=0.00, mfg=67.85 ]			C21 H N3 O3	+	343.003	1.884	33.93		(344.0102, 2889.59)(345.0103, 916.11)	FindByMolecularFeature	C21 H N3 O3	1
C21 H2 O26 S +5.661	[ C21 H2 O26 S, overall=29.81, db=0.00, mfg=59.61 ]			C21 H2 O26 S +5.661	+	701.8556	5.661	29.81		(702.8629, 8628.25)(703.869, 1266.95)	FindByMolecularFeature	C21 H2 O26 S	1
C21 H21 N4 O21	[ C21 H21 N4 O21, overall=33.19, db=0.00, mfg=66.38 ]			C21 H21 N4 O21	+	665.0705	8.736	33.19		(666.0778, 5018.69)(667.0816, 729.52)	FindByMolecularFeature	C21 H21 N4 O21	1
C21 H41 Cl N4 O6	[ C21 H41 Cl N4 O6, overall=23.81, db=0.00, mfg=47.62 ]			C21 H41 Cl N4 O6	+	480.2718	2.619	23.81		(503.2607, 1466.4)(481.2791, 3332.15)	FindByMolecularFeature	C21 H41 Cl N4 O6	1
C21 H46 N3 O4 S	[ C21 H46 N3 O4 S, overall=23.81, db=0.00, mfg=47.62 ]			C21 H46 N3 O4 S	+	436.3199	1.34	23.81		(459.3101, 1272.64)(437.3242, 736.99)	FindByMolecularFeature	C21 H46 N3 O4 S	1
C21 H48 Cl N5 O5	[ C21 H48 Cl N5 O5, overall=23.81, db=0.00, mfg=47.62 ]			C21 H48 Cl N5 O5	+	485.3351	1.373	23.81		(508.3257, 896.7)(486.3417, 1512.71)	FindByMolecularFeature	C21 H48 Cl N5 O5	1
C21 H49 Cl N7 O4	[ C21 H49 Cl N7 O4, overall=23.80, db=0.00, mfg=47.61 ]			C21 H49 Cl N7 O4	+	498.3573	1.381	23.8		(521.3485, 1772.93)(522.3516, 1112.77)(523.3622, 3279.02)(524.3652, 908.56)(525.3785, 664.28)(499.3608, 1019.14)	FindByMolecularFeature	C21 H49 Cl N7 O4	1
C21 H51 Cl N12 S4	[ C21 H51 Cl N12 S4, overall=27.03, db=0.00, mfg=54.06 ]			C21 H51 Cl N12 S4	+	634.2981	1.838	27.03		(635.3053, 1455.97)(636.3003, 722.78)(637.2915, 1194.59)	FindByMolecularFeature	C21 H51 Cl N12 S4	1
C21 H8 Cl N2 O6	[ C21 H8 Cl N2 O6, overall=23.81, db=0.00, mfg=47.62 ]			C21 H8 Cl N2 O6	+	419.0071	5.409	23.81		(441.9964, 3577.1)(420.0144, 3221.25)	FindByMolecularFeature	C21 H8 Cl N2 O6	1
C22 H11 N13 O2	[ C22 H11 N13 O2, overall=39.27, db=0.00, mfg=78.55 ]			C22 H11 N13 O2	+	489.1153	2.758	39.27		(490.1226, 2785.31)(491.1255, 917.4)	FindByMolecularFeature	C22 H11 N13 O2	1
C22 H24 N3 O22 S	[ C22 H24 N3 O22 S, overall=26.42, db=0.00, mfg=52.85 ]			C22 H24 N3 O22 S	+	714.0567	2.224	26.42		(715.064, 6979.04)(716.0621, 821.75)	FindByMolecularFeature	C22 H24 N3 O22 S	1
C22 H24 N3 O22 S +2.341	[ C22 H24 N3 O22 S, overall=25.62, db=0.00, mfg=51.23 ]			C22 H24 N3 O22 S +2.341	+	714.0565	2.341	25.62		(715.0638, 9641.08)(716.0613, 1090.77)	FindByMolecularFeature	C22 H24 N3 O22 S	1
C22 H31 N2 O	[ C22 H31 N2 O, overall=37.65, db=0.00, mfg=75.30 ]			C22 H31 N2 O	+	339.2449	1.335	37.65		(340.2497, 742.54)(357.2788, 14566.32)(358.2816, 4405.73)	FindByMolecularFeature	C22 H31 N2 O	1
C22 H37 N15 O3 +4.276	[ C22 H37 N15 O3, overall=40.70, db=0.00, mfg=81.41 ]			C22 H37 N15 O3 +4.276	+	559.3199	4.276	40.7		(560.3271, 9110.53)(561.33, 2552.08)	FindByMolecularFeature	C22 H37 N15 O3	1
C22 H39 N6 O4	[ C22 H39 N6 O4, overall=23.80, db=0.00, mfg=47.60 ]			C22 H39 N6 O4	+	451.3013	1.238	23.8		(474.2924, 568.78)(452.3076, 1031.28)(453.3209, 583.92)(454.316, 847.3)	FindByMolecularFeature	C22 H39 N6 O4	1
C22 H4 N3 O24 +7.253	[ C22 H4 N3 O24, overall=30.61, db=0.00, mfg=61.22 ]			C22 H4 N3 O24 +7.253	+	693.9166	7.253	30.61		(694.9239, 13651.68)(695.9256, 2131.31)	FindByMolecularFeature	C22 H4 N3 O24	1
C22 H40 O3	[ C22 H40 O3, overall=23.77, db=0.00, mfg=47.54 ]			C22 H40 O3	+	352.2975	1.064	23.77		(353.3047, 4137.83)(354.2972, 2002.93)(370.3314, 4338.57)	FindByMolecularFeature	C22 H40 O3	1
C22 H44 N24 O3	[ C22 H44 N24 O3, overall=39.49, db=0.00, mfg=78.99 ]			C22 H44 N24 O3	+	692.4022	5.075	39.49		(693.4095, 6108.41)(694.4123, 1815.47)	FindByMolecularFeature	C22 H44 N24 O3	1
C22 H45 N5 O13 S	[ C22 H45 N5 O13 S, overall=28.57, db=0.00, mfg=57.13 ]			C22 H45 N5 O13 S	+	619.2727	1.422	28.57		(620.28, 3376.43)(621.2912, 651.95)	FindByMolecularFeature	C22 H45 N5 O13 S	1
C22 H5 N3 O24	[ C22 H5 N3 O24, overall=33.31, db=0.00, mfg=66.62 ]			C22 H5 N3 O24	+	694.9242	7.46	33.31		(695.9315, 4322.15)(696.935, 833.05)	FindByMolecularFeature	C22 H5 N3 O24	1
C22 H52 N4 O14	[ C22 H52 N4 O14, overall=35.33, db=0.00, mfg=70.65 ]			C22 H52 N4 O14	+	596.3484	1.482	35.33		(597.3557, 10587.79)(598.3577, 1830.68)	FindByMolecularFeature	C22 H52 N4 O14	1
C22 H7 N6 O19	[ C22 H7 N6 O19, overall=36.97, db=0.00, mfg=73.93 ]			C22 H7 N6 O19	+	658.9757	4.815	36.97		(659.983, 2383.95)(660.9859, 674.25)	FindByMolecularFeature	C22 H7 N6 O19	1
C22 N2 O11	[ C22 N2 O11, overall=33.86, db=0.00, mfg=67.73 ]			C22 N2 O11	+	467.9522	7.247	33.86		(468.9594, 2945.07)(469.9637, 564.62)	FindByMolecularFeature	C22 N2 O11	1
C23 H14 N14 O13	[ C23 H14 N14 O13, overall=35.38, db=0.00, mfg=70.75 ]			C23 H14 N14 O13	+	694.0865	8.873	35.38		(695.0938, 3351.54)(696.0976, 1210.39)	FindByMolecularFeature	C23 H14 N14 O13	1
C23 H15 N7 O19 S	[ C23 H15 N7 O19 S, overall=29.30, db=0.00, mfg=58.60 ]			C23 H15 N7 O19 S	+	725.0154	5.112	29.3		(726.0226, 2876.21)(727.0213, 544.08)	FindByMolecularFeature	C23 H15 N7 O19 S	1
C23 H21 N3 O	[ C23 H21 N3 O, overall=35.15, db=0.00, mfg=70.29 ]			C23 H21 N3 O	+	355.1658	1.395	35.15		(378.1556, 2496.45)(379.1643, 746.76)(356.171, 926.16)	FindByMolecularFeature	C23 H21 N3 O	1
C23 H25 N4 O22	[ C23 H25 N4 O22, overall=33.15, db=0.00, mfg=66.30 ]			C23 H25 N4 O22	+	709.0972	8.981	33.15		(710.1044, 4701.47)(711.1063, 807.07)	FindByMolecularFeature	C23 H25 N4 O22	1
C23 H42 O3	[ C23 H42 O3, overall=23.79, db=0.00, mfg=47.58 ]			C23 H42 O3	+	366.3132	1.059	23.79		(367.3202, 3946.92)(384.3471, 5492.78)	FindByMolecularFeature	C23 H42 O3	1
C23 H44 N3 O2	[ C23 H44 N3 O2, overall=27.87, db=0.00, mfg=55.75 ]			C23 H44 N3 O2	+	394.344	1.056	27.87		(395.3516, 2387.41)(412.3777, 4215.66)(413.3772, 1852.53)	FindByMolecularFeature	C23 H44 N3 O2	1
C23 H47 N14	[ C23 H47 N14, overall=39.56, db=0.00, mfg=79.12 ]			C23 H47 N14	+	519.4111	4.592	39.56		(520.4184, 2933.72)(521.4189, 950.42)	FindByMolecularFeature	C23 H47 N14	1
C23 H55 N21 O5 S	[ C23 H55 N21 O5 S, overall=33.31, db=0.00, mfg=66.61 ]			C23 H55 N21 O5 S	+	737.4427	7.449	33.31		(738.4499, 2696.39)(739.4507, 698.07)	FindByMolecularFeature	C23 H55 N21 O5 S	1
C23 N2 O25 S	[ C23 N2 O25 S, overall=31.84, db=0.00, mfg=63.69 ]			C23 N2 O25 S	+	735.8509	5.706	31.84		(736.8582, 2363.55)(737.8596, 599.15)	FindByMolecularFeature	C23 N2 O25 S	1
C24 H26 N O11	[ C24 H26 N O11, overall=37.34, db=0.00, mfg=74.69 ]			C24 H26 N O11	+	504.1516	2.768	37.34		(505.1589, 6778.65)(506.162, 1414.73)	FindByMolecularFeature	C24 H26 N O11	1
C24 H3 N O23	[ C24 H3 N O23, overall=31.49, db=0.00, mfg=62.98 ]			C24 H3 N O23	+	672.9109	7.367	31.49		(673.9182, 6933.11)(674.9218, 1045.3)	FindByMolecularFeature	C24 H3 N O23	1
C24 H31 O	[ C24 H31 O, overall=23.72, db=0.00, mfg=47.45 ]			C24 H31 O	+	335.2357	1.125	23.72		(336.245, 1092.08)(353.2687, 1456.81)	FindByMolecularFeature	C24 H31 O	1
C24 H32 N15 O3 S4	[ C24 H32 N15 O3 S4, overall=30.36, db=0.00, mfg=60.71 ]			C24 H32 N15 O3 S4	+	706.1708	1.058	30.36		(707.1781, 2257.19)(708.1703, 1160.06)(709.1722, 698.15)	FindByMolecularFeature	C24 H32 N15 O3 S4	1
C24 H35 N6	[ C24 H35 N6, overall=38.34, db=0.00, mfg=76.68 ]			C24 H35 N6	+	407.2916	1.474	38.34		(408.2989, 3111.5)(409.3053, 889.12)	FindByMolecularFeature	C24 H35 N6	1
C24 H37 N2 O S	[ C24 H37 N2 O S, overall=32.54, db=0.00, mfg=65.07 ]			C24 H37 N2 O S	+	401.2621	3.222	32.54		(402.2693, 2212.46)(403.2747, 744.87)	FindByMolecularFeature	C24 H37 N2 O S	1
C24 H37 N6	[ C24 H37 N6, overall=27.49, db=0.00, mfg=54.98 ]			C24 H37 N6	+	409.311	1.222	27.49		(410.3183, 1968.18)(411.3122, 880.98)	FindByMolecularFeature	C24 H37 N6	1
C24 H43 N15 O4	[ C24 H43 N15 O4, overall=38.86, db=0.00, mfg=77.72 ]			C24 H43 N15 O4	+	605.3622	6.849	38.86		(606.3694, 7683.26)(607.372, 1987.57)	FindByMolecularFeature	C24 H43 N15 O4	1
C24 H44 O5	[ C24 H44 O5, overall=23.81, db=0.00, mfg=47.62 ]			C24 H44 O5	+	412.3188	1.12	23.81		(413.326, 881.0)(430.3527, 1598.74)	FindByMolecularFeature	C24 H44 O5	1
C25 H18 N4 O2 S5	[ C25 H18 N4 O2 S5, overall=23.81, db=0.00, mfg=47.62 ]			C25 H18 N4 O2 S5	+	566.0036	5.409	23.81		(588.993, 1883.51)(567.0106, 1345.46)	FindByMolecularFeature	C25 H18 N4 O2 S5	1
C25 H19 Cl2 N6 S	[ C25 H19 Cl2 N6 S, overall=23.81, db=0.00, mfg=47.62 ]			C25 H19 Cl2 N6 S	+	505.0776	1.051	23.81		(506.0864, 1596.76)(507.0837, 1344.49)(523.1107, 1097.45)	FindByMolecularFeature	C25 H19 Cl2 N6 S	1
C25 H39 Cl N3	[ C25 H39 Cl N3, overall=23.81, db=0.00, mfg=47.62 ]			C25 H39 Cl N3	+	416.2811	1.382	23.81		(439.2696, 654.93)(440.2688, 876.5)(417.2905, 825.12)	FindByMolecularFeature	C25 H39 Cl N3	1
C25 H41 N8 O	[ C25 H41 N8 O, overall=27.65, db=0.00, mfg=55.30 ]			C25 H41 N8 O	+	469.3424	1.08	27.65		(470.3497, 1582.16)(471.3466, 737.36)	FindByMolecularFeature	C25 H41 N8 O	1
C25 H43 N8 O2	[ C25 H43 N8 O2, overall=28.71, db=0.00, mfg=57.41 ]			C25 H43 N8 O2	+	487.3507	1.292	28.71		(510.3409, 1159.02)(488.3576, 2808.6)(489.3586, 1388.39)	FindByMolecularFeature	C25 H43 N8 O2	1
C25 H44 N25	[ C25 H44 N25, overall=38.33, db=0.00, mfg=76.66 ]			C25 H44 N25	+	694.4217	7.474	38.33		(695.4289, 6617.74)(696.4318, 2060.94)	FindByMolecularFeature	C25 H44 N25	1
C25 H48 N3 O2	[ C25 H48 N3 O2, overall=39.84, db=0.00, mfg=79.69 ]			C25 H48 N3 O2	+	422.375	1.05	39.84		(423.3829, 2472.49)(424.3812, 1527.37)(440.4085, 3625.23)(441.4108, 1166.06)	FindByMolecularFeature	C25 H48 N3 O2	1
C25 H51 N8 O2 +1.379	[ C25 H51 N8 O2, overall=34.32, db=0.00, mfg=68.65 ]			C25 H51 N8 O2 +1.379	+	495.4132	1.379	34.32		(496.4205, 2134.73)(497.4223, 876.17)	FindByMolecularFeature	C25 H51 N8 O2	1
C25 H52 N2 O	[ C25 H52 N2 O, overall=38.19, db=0.00, mfg=76.39 ]			C25 H52 N2 O	+	396.4075	1.069	38.19		(397.4148, 3039.94)(398.4183, 1054.95)	FindByMolecularFeature	C25 H52 N2 O	1
C26 H30 N11 O	[ C26 H30 N11 O, overall=36.53, db=0.00, mfg=73.06 ]			C26 H30 N11 O	+	512.2628	2.791	36.53		(513.27, 1843.26)(514.2736, 727.72)	FindByMolecularFeature	C26 H30 N11 O	1
C26 H30 N28 O3	[ C26 H30 N28 O3, overall=37.10, db=0.00, mfg=74.21 ]			C26 H30 N28 O3	+	782.3058	6.453	37.1		(805.2952, 2072.26)(806.2979, 826.69)(783.3129, 965.16)	FindByMolecularFeature	C26 H30 N28 O3	1
C26 H32 N8 O3	[ C26 H32 N8 O3, overall=34.00, db=0.00, mfg=68.00 ]			C26 H32 N8 O3	+	504.259	5.099	34		(505.2662, 2000.53)(506.2706, 830.96)	FindByMolecularFeature	C26 H32 N8 O3	1
C26 H36 N20 O11	[ C26 H36 N20 O11, overall=37.24, db=0.00, mfg=74.49 ]			C26 H36 N20 O11	+	804.2875	6.456	37.24		(805.2947, 2550.77)(806.2965, 878.52)	FindByMolecularFeature	C26 H36 N20 O11	1
C26 H42	[ C26 H42, overall=37.10, db=0.00, mfg=74.19 ]			C26 H42	+	354.3283	1.158	37.1		(355.3356, 2851.76)(356.3431, 732.84)	FindByMolecularFeature	C26 H42	1
C26 H44 N7 O14	[ C26 H44 N7 O14, overall=48.31, db=0.00, mfg=96.61 ]			C26 H44 N7 O14	+	678.2945	6.056	48.31		(701.2838, 18277.25)(702.2862, 6092.82)(703.2907, 1974.02)(679.3032, 1127.79)(696.3273, 2441.44)(697.3316, 1012.01)	FindByMolecularFeature	C26 H44 N7 O14	1
C26 H47 N12	[ C26 H47 N12, overall=35.23, db=0.00, mfg=70.46 ]			C26 H47 N12	+	527.4033	1.704	35.23		(528.4106, 2413.76)(529.4148, 977.5)	FindByMolecularFeature	C26 H47 N12	1
C26 H47 N15 O5	[ C26 H47 N15 O5, overall=38.01, db=0.00, mfg=76.03 ]			C26 H47 N15 O5	+	649.3889	7.043	38.01		(650.3962, 13658.7)(651.3995, 3921.14)	FindByMolecularFeature	C26 H47 N15 O5	1
C26 H50 Cl N3 O2	[ C26 H50 Cl N3 O2, overall=23.81, db=0.00, mfg=47.62 ]			C26 H50 Cl N3 O2	+	471.3585	1.168	23.81		(494.3484, 1857.1)(472.365, 1304.0)	FindByMolecularFeature	C26 H50 Cl N3 O2	1
C27 H2 N3 O9 +7.672	[ C27 H2 N3 O9, overall=34.98, db=0.00, mfg=69.96 ]			C27 H2 N3 O9 +7.672	+	511.9785	7.672	34.98		(512.9858, 3947.73)(513.9912, 1441.69)	FindByMolecularFeature	C27 H2 N3 O9	1
C27 H39 N13 O3	[ C27 H39 N13 O3, overall=34.20, db=0.00, mfg=68.40 ]			C27 H39 N13 O3	+	593.3275	5.972	34.2		(594.3348, 3853.46)(595.3439, 1377.55)	FindByMolecularFeature	C27 H39 N13 O3	1
C27 H39 N21 O S5	[ C27 H39 N21 O S5, overall=29.63, db=0.00, mfg=59.26 ]			C27 H39 N21 O S5	+	833.2259	1.018	29.63		(834.2332, 11715.81)(835.2319, 6649.73)(836.2213, 5679.62)	FindByMolecularFeature	C27 H39 N21 O S5	1
C27 H4 N6 O9	[ C27 H4 N6 O9, overall=38.14, db=0.00, mfg=76.28 ]			C27 H4 N6 O9	+	556.0041	8.057	38.14		(557.0114, 3739.51)(558.0157, 1174.95)	FindByMolecularFeature	C27 H4 N6 O9	1
C27 H40 N4 O3	[ C27 H40 N4 O3, overall=23.81, db=0.00, mfg=47.62 ]			C27 H40 N4 O3	+	468.3107	1.478	23.81		(491.3012, 1341.12)(469.3173, 1863.99)	FindByMolecularFeature	C27 H40 N4 O3	1
C27 H42 N10	[ C27 H42 N10, overall=29.96, db=0.00, mfg=59.93 ]			C27 H42 N10	+	506.3587	1.194	29.96		(507.3659, 2170.05)(508.3723, 1014.46)	FindByMolecularFeature	C27 H42 N10	1
C27 H44 N10 O	[ C27 H44 N10 O, overall=28.47, db=0.00, mfg=56.94 ]			C27 H44 N10 O	+	524.3706	1.251	28.47		(547.3579, 1222.26)(525.3785, 2188.94)(526.3779, 1147.89)	FindByMolecularFeature	C27 H44 N10 O	1
C27 H46 N22 O	[ C27 H46 N22 O, overall=38.87, db=0.00, mfg=77.73 ]			C27 H46 N22 O	+	694.4224	7.44	38.87		(695.4296, 5156.5)(696.4323, 1791.91)	FindByMolecularFeature	C27 H46 N22 O	1
C27 H49 N12 O	[ C27 H49 N12 O, overall=36.53, db=0.00, mfg=73.06 ]			C27 H49 N12 O	+	557.4139	1.938	36.53		(558.4212, 1978.05)(559.4266, 733.78)	FindByMolecularFeature	C27 H49 N12 O	1
C27 H55 N4 O2	[ C27 H55 N4 O2, overall=32.07, db=0.00, mfg=64.13 ]			C27 H55 N4 O2	+	467.4327	1.044	32.07		(468.44, 2099.76)(469.4434, 996.99)	FindByMolecularFeature	C27 H55 N4 O2	1
C27 H7 N2 O27	[ C27 H7 N2 O27, overall=32.31, db=0.00, mfg=64.61 ]			C27 H7 N2 O27	+	790.9242	1.126	32.31		(791.9315, 4432.28)(792.9364, 904.2)	FindByMolecularFeature	C27 H7 N2 O27	1
C28 H43 N7 S	[ C28 H43 N7 S, overall=26.10, db=0.00, mfg=52.20 ]			C28 H43 N7 S	+	509.3344	1.329	26.1		(510.3416, 1839.42)(511.3331, 891.98)	FindByMolecularFeature	C28 H43 N7 S	1
C28 H46 N16 O16	[ C28 H46 N16 O16, overall=29.81, db=0.00, mfg=59.62 ]			C28 H46 N16 O16	+	862.3271	6.38	29.81		(863.3344, 1517.47)(864.3444, 588.6)	FindByMolecularFeature	C28 H46 N16 O16	1
C28 H54 N3 O2	[ C28 H54 N3 O2, overall=23.61, db=0.00, mfg=47.22 ]			C28 H54 N3 O2	+	464.4223	1.042	23.61		(465.4293, 1186.18)(482.4562, 2515.78)	FindByMolecularFeature	C28 H54 N3 O2	1
C29 H36 Cl3 N O4	[ C29 H36 Cl3 N O4, overall=23.81, db=0.00, mfg=47.62 ]			C29 H36 Cl3 N O4	+	567.1727	1.063	23.81		(590.1602, 656.88)(568.1806, 1259.68)	FindByMolecularFeature	C29 H36 Cl3 N O4	1
C29 H42 N8 O3	[ C29 H42 N8 O3, overall=38.60, db=0.00, mfg=77.20 ]			C29 H42 N8 O3	+	550.3384	2.983	38.6		(551.3457, 6533.94)(552.3485, 1898.76)	FindByMolecularFeature	C29 H42 N8 O3	1
C29 H43 N8 O4	[ C29 H43 N8 O4, overall=38.66, db=0.00, mfg=77.31 ]			C29 H43 N8 O4	+	567.3405	1.576	38.66		(568.3478, 6766.57)(569.3514, 2021.63)	FindByMolecularFeature	C29 H43 N8 O4	1
C29 H6 N5 O21 +7.496	[ C29 H6 N5 O21, overall=32.18, db=0.00, mfg=64.36 ]			C29 H6 N5 O21 +7.496	+	759.9556	7.496	32.18		(760.9628, 4607.61)(761.9647, 941.14)	FindByMolecularFeature	C29 H6 N5 O21	1
C3 Cl N O3 S3	[ C3 Cl N O3 S3, overall=22.92, db=0.00, mfg=45.84 ]			C3 Cl N O3 S3	+	228.8743	2.344	22.92		(229.8808, 824.44)(246.9084, 2165.89)	FindByMolecularFeature	C3 Cl N O3 S3	1
C3 H4 N O	[ C3 H4 N O, overall=23.04, db=0.00, mfg=46.08 ]			C3 H4 N O	+	70.0296	2.338	23.04		(71.037, 3801.95)(88.0626, 859.78)	FindByMolecularFeature	C3 H4 N O	1
C3 H4 N O +2.13	[ C3 H4 N O, overall=22.20, db=0.00, mfg=44.40 ]			C3 H4 N O +2.13	+	70.0301	2.13	22.2		(71.0372, 3158.54)(158.0959, 1003.84)	FindByMolecularFeature	C3 H4 N O	1
C3 H5 N	[ C3 H5 N, overall=43.01, db=0.00, mfg=86.02 ]			C3 H5 N	+	55.042	6.401	43.01		(56.0493, 16352.94)(57.0528, 897.77)	FindByMolecularFeature	C3 H5 N	1
C3 H6 N O5	[ C3 H6 N O5, overall=23.79, db=0.00, mfg=47.58 ]			C3 H6 N O5	+	136.025	5.982	23.79		(137.0324, 3058.76)(154.0585, 680.44)	FindByMolecularFeature	C3 H6 N O5	1
C3 H6 N O5 +5.655	[ C3 H6 N O5, overall=23.25, db=0.00, mfg=46.50 ]			C3 H6 N O5 +5.655	+	136.0249	5.655	23.25		(137.0323, 2767.12)(154.0579, 830.29)	FindByMolecularFeature	C3 H6 N O5	1
C30 H17 N7 O28	[ C30 H17 N7 O28, overall=27.39, db=0.00, mfg=54.79 ]			C30 H17 N7 O28	+	923.0136	8.464	27.39		(924.0209, 3164.06)(925.0174, 640.14)	FindByMolecularFeature	C30 H17 N7 O28	1
C30 H53 N18 O	[ C30 H53 N18 O, overall=36.45, db=0.00, mfg=72.91 ]			C30 H53 N18 O	+	681.4641	1.028	36.45		(682.4714, 2386.04)(683.4766, 905.87)	FindByMolecularFeature	C30 H53 N18 O	1
C31 H10 N5 O22	[ C31 H10 N5 O22, overall=32.11, db=0.00, mfg=64.21 ]			C31 H10 N5 O22	+	803.9819	7.75	32.11		(804.9892, 2557.54)(805.9895, 1028.71)	FindByMolecularFeature	C31 H10 N5 O22	1
C31 H25 N16 O10	[ C31 H25 N16 O10, overall=23.58, db=0.00, mfg=47.16 ]			C31 H25 N16 O10	+	781.1945	1.043	23.58		(782.2018, 1486.43)(783.1932, 723.87)	FindByMolecularFeature	C31 H25 N16 O10	1
C31 H48 N O3	[ C31 H48 N O3, overall=23.81, db=0.00, mfg=47.61 ]			C31 H48 N O3	+	482.3616	1.176	23.81		(505.3527, 1597.45)(483.365, 906.54)	FindByMolecularFeature	C31 H48 N O3	1
C31 H53 N21 O3	[ C31 H53 N21 O3, overall=33.75, db=0.00, mfg=67.51 ]			C31 H53 N21 O3	+	767.4644	9.273	33.75		(768.4717, 1845.11)(769.4744, 923.12)	FindByMolecularFeature	C31 H53 N21 O3	1
C31 H54 Cl2 N O8	[ C31 H54 Cl2 N O8, overall=31.80, db=0.00, mfg=63.60 ]			C31 H54 Cl2 N O8	+	638.3278	3.703	31.8		(639.3351, 1437.18)(640.3381, 688.91)(641.3186, 1170.98)	FindByMolecularFeature	C31 H54 Cl2 N O8	1
C31 H64 N23 O	[ C31 H64 N23 O, overall=34.55, db=0.00, mfg=69.10 ]			C31 H64 N23 O	+	774.5649	1.334	34.55		(797.5559, 1604.68)(798.5586, 788.78)(775.5672, 947.1)	FindByMolecularFeature	C31 H64 N23 O	1
C32 H34 Cl N14 O4	[ C32 H34 Cl N14 O4, overall=32.72, db=0.00, mfg=65.45 ]			C32 H34 Cl N14 O4	+	713.2598	1.019	32.72		(714.2671, 1909.94)(715.2666, 1136.81)(716.2606, 1097.99)	FindByMolecularFeature	C32 H34 Cl N14 O4	1
C32 H36 N11 O2 +3.54	[ C32 H36 N11 O2, overall=35.39, db=0.00, mfg=70.79 ]			C32 H36 N11 O2 +3.54	+	606.3053	3.54	35.39		(629.2959, 820.46)(607.3124, 3139.9)(608.3156, 1437.67)	FindByMolecularFeature	C32 H36 N11 O2	1
C32 H45 N15 O	[ C32 H45 N15 O, overall=36.48, db=0.00, mfg=72.96 ]			C32 H45 N15 O	+	655.3934	2.064	36.48		(656.4007, 2459.02)(657.4041, 1061.46)	FindByMolecularFeature	C32 H45 N15 O	1
C33 H16 N16 O2	[ C33 H16 N16 O2, overall=31.65, db=0.00, mfg=63.30 ]			C33 H16 N16 O2	+	668.1654	1.027	31.65		(669.1726, 1893.54)(670.1718, 955.05)	FindByMolecularFeature	C33 H16 N16 O2	1
C33 H25 N26 O6 S	[ C33 H25 N26 O6 S, overall=26.00, db=0.00, mfg=52.00 ]			C33 H25 N26 O6 S	+	913.2188	1.012	26		(914.2247, 1732.02)(915.2201, 845.03)(931.2545, 1154.42)	FindByMolecularFeature	C33 H25 N26 O6 S	1
C33 H25 N27 O7	[ C33 H25 N27 O7, overall=28.93, db=0.00, mfg=57.86 ]			C33 H25 N27 O7	+	911.2429	1.021	28.93		(912.2502, 2568.64)(913.2455, 954.52)	FindByMolecularFeature	C33 H25 N27 O7	1
C33 H32 N15	[ C33 H32 N15, overall=33.86, db=0.00, mfg=67.73 ]			C33 H32 N15	+	638.2966	1.513	33.86		(639.3039, 1446.97)(640.3057, 735.95)	FindByMolecularFeature	C33 H32 N15	1
C33 H38 N S	[ C33 H38 N S, overall=31.22, db=0.00, mfg=62.44 ]			C33 H38 N S	+	480.2727	2.284	31.22		(481.28, 1683.11)(482.2828, 841.71)	FindByMolecularFeature	C33 H38 N S	1
C33 H38 N S +1.621	[ C33 H38 N S, overall=29.59, db=0.00, mfg=59.18 ]			C33 H38 N S +1.621	+	480.2733	1.621	29.59		(481.2806, 1904.86)(482.2819, 981.86)	FindByMolecularFeature	C33 H38 N S	1
C33 H42 N8	[ C33 H42 N8, overall=35.54, db=0.00, mfg=71.07 ]			C33 H42 N8	+	550.3517	1.273	35.54		(551.359, 4567.62)(552.3638, 1919.19)	FindByMolecularFeature	C33 H42 N8	1
C33 H43 N8 O2	[ C33 H43 N8 O2, overall=35.86, db=0.00, mfg=71.71 ]			C33 H43 N8 O2	+	583.3503	1.25	35.86		(584.3576, 6517.58)(585.3626, 2730.61)	FindByMolecularFeature	C33 H43 N8 O2	1
C33 H67 N30 O6	[ C33 H67 N30 O6, overall=32.85, db=0.00, mfg=65.69 ]			C33 H67 N30 O6	+	979.586	3.309	32.85		(980.5933, 2676.95)(981.5966, 1390.36)	FindByMolecularFeature	C33 H67 N30 O6	1
C34 H22 N2 O5	[ C34 H22 N2 O5, overall=39.02, db=0.00, mfg=78.04 ]			C34 H22 N2 O5	+	538.1554	1.026	39.02		(539.1627, 7955.52)(540.16, 3163.45)(541.1567, 967.29)	FindByMolecularFeature	C34 H22 N2 O5	1
C34 H25 N22 O2	[ C34 H25 N22 O2, overall=29.88, db=0.00, mfg=59.75 ]			C34 H25 N22 O2	+	773.254	1.013	29.88		(774.2613, 2151.07)(775.261, 1329.04)	FindByMolecularFeature	C34 H25 N22 O2	1
C34 H29 N27 S3	[ C34 H29 N27 S3, overall=41.96, db=0.00, mfg=83.92 ]			C34 H29 N27 S3	+	911.2269	1.011	41.96		(912.2341, 4668.52)(913.232, 2182.46)(914.2303, 1123.43)	FindByMolecularFeature	C34 H29 N27 S3	1
C34 H47 N8 O2	[ C34 H47 N8 O2, overall=36.77, db=0.00, mfg=73.54 ]			C34 H47 N8 O2	+	599.3833	1.255	36.77		(600.3906, 2228.0)(601.3928, 891.18)	FindByMolecularFeature	C34 H47 N8 O2	1
C34 H51 N4 O7	[ C34 H51 N4 O7, overall=46.21, db=0.00, mfg=92.42 ]			C34 H51 N4 O7	+	627.3756	7.005	46.21		(628.3829, 19469.53)(629.3858, 6484.58)(630.3902, 626.63)	FindByMolecularFeature	C34 H51 N4 O7	1
C34 H57 N O11	[ C34 H57 N O11, overall=48.53, db=0.00, mfg=97.06 ]			C34 H57 N O11	+	655.393	1.921	48.53		(656.4003, 7778.51)(657.4033, 3159.01)(658.4064, 972.55)	FindByMolecularFeature	C34 H57 N O11	1
C34 H6 Cl3 O18 S	[ C34 H6 Cl3 O18 S, overall=23.81, db=0.00, mfg=47.62 ]			C34 H6 Cl3 O18 S	+	838.8322	5.678	23.81		(839.8413, 1777.01)(1695.6873, 778.63)	FindByMolecularFeature	C34 H6 Cl3 O18 S	1
C34 H75 N24 O	[ C34 H75 N24 O, overall=30.30, db=0.00, mfg=60.61 ]			C34 H75 N24 O	+	835.6567	0.902	30.3		(836.664, 2815.4)(837.6644, 733.79)	FindByMolecularFeature	C34 H75 N24 O	1
C35 H44 N6 O3	[ C35 H44 N6 O3, overall=33.24, db=0.00, mfg=66.49 ]			C35 H44 N6 O3	+	596.348	5.958	33.24		(597.3552, 1920.26)(598.3557, 896.98)	FindByMolecularFeature	C35 H44 N6 O3	1
C35 H47 N8 O3	[ C35 H47 N8 O3, overall=32.38, db=0.00, mfg=64.76 ]			C35 H47 N8 O3	+	627.3766	1.282	32.38		(628.3838, 2724.89)(629.3879, 1447.98)	FindByMolecularFeature	C35 H47 N8 O3	1
C35 H47 N8 O3 +1.387	[ C35 H47 N8 O3, overall=36.17, db=0.00, mfg=72.35 ]			C35 H47 N8 O3 +1.387	+	627.3768	1.387	36.17		(628.3841, 3768.41)(629.3877, 1645.72)	FindByMolecularFeature	C35 H47 N8 O3	1
C35 H52 O2 S4	[ C35 H52 O2 S4, overall=37.81, db=0.00, mfg=75.63 ]			C35 H52 O2 S4	+	632.2846	1.68	37.81		(633.2919, 1503.88)(634.2959, 915.02)(635.2921, 642.9)	FindByMolecularFeature	C35 H52 O2 S4	1
C35 H53 N O2 S2	[ C35 H53 N O2 S2, overall=38.28, db=0.00, mfg=76.55 ]			C35 H53 N O2 S2	+	583.349	6.952	38.28		(584.3562, 7142.23)(585.363, 3003.97)(586.3674, 1613.83)	FindByMolecularFeature	C35 H53 N O2 S2	1
C36 H10 N4 O4	[ C36 H10 N4 O4, overall=37.03, db=0.00, mfg=74.06 ]			C36 H10 N4 O4	+	562.0708	1.479	37.03		(563.0781, 5139.51)(564.0813, 1904.33)	FindByMolecularFeature	C36 H10 N4 O4	1
C36 H25 N17 O9	[ C36 H25 N17 O9, overall=29.41, db=0.00, mfg=58.82 ]			C36 H25 N17 O9	+	839.2032	1.017	29.41		(840.21, 2086.54)(841.2054, 846.36)(857.2378, 1157.77)	FindByMolecularFeature	C36 H25 N17 O9	1
C36 H25 N2 O S3	[ C36 H25 N2 O S3, overall=29.53, db=0.00, mfg=59.06 ]			C36 H25 N2 O S3	+	597.1159	1.03	29.53		(598.1232, 3301.85)(599.1218, 1987.28)(600.114, 1469.92)	FindByMolecularFeature	C36 H25 N2 O S3	1
C36 H30 N2 O4	[ C36 H30 N2 O4, overall=32.44, db=0.00, mfg=64.88 ]			C36 H30 N2 O4	+	554.2187	5.7	32.44		(555.226, 2096.85)(556.2383, 737.45)	FindByMolecularFeature	C36 H30 N2 O4	1
C36 H43 N3	[ C36 H43 N3, overall=37.66, db=0.00, mfg=75.32 ]			C36 H43 N3	+	517.3463	3.136	37.66		(518.3536, 1516.91)(519.3563, 610.55)	FindByMolecularFeature	C36 H43 N3	1
C36 H63 Cl N2	[ C36 H63 Cl N2, overall=31.03, db=0.00, mfg=62.06 ]			C36 H63 Cl N2	+	558.4646	1.084	31.03		(559.4739, 2021.13)(560.4745, 984.12)(561.4845, 1032.46)(576.4952, 1467.99)	FindByMolecularFeature	C36 H63 Cl N2	1
C36 H71 N O4	[ C36 H71 N O4, overall=35.91, db=0.00, mfg=71.83 ]			C36 H71 N O4	+	581.5375	3.698	35.91		(582.5447, 2069.69)(583.5492, 874.53)	FindByMolecularFeature	C36 H71 N O4	1
C37 H12 O3	[ C37 H12 O3, overall=36.46, db=0.00, mfg=72.92 ]			C37 H12 O3	+	504.0797	1.068	36.46		(505.0869, 3747.8)(506.0888, 1330.7)	FindByMolecularFeature	C37 H12 O3	1
C37 H27 N11 O3 S	[ C37 H27 N11 O3 S, overall=44.15, db=0.00, mfg=88.30 ]			C37 H27 N11 O3 S	+	705.2029	1.026	44.15		(706.2102, 9733.37)(707.2096, 4302.28)(708.2079, 1330.61)	FindByMolecularFeature	C37 H27 N11 O3 S	1
C37 H27 N15 O S2	[ C37 H27 N15 O S2, overall=42.08, db=0.00, mfg=84.15 ]			C37 H27 N15 O S2	+	761.1968	1.021	42.08		(762.2029, 13314.5)(763.2013, 7129.95)(764.1983, 3973.12)(779.2312, 26351.18)(780.2292, 13079.41)(781.2273, 5520.32)(782.2158, 2617.43)	FindByMolecularFeature	C37 H27 N15 O S2	1
C37 H33 N3 O3	[ C37 H33 N3 O3, overall=33.10, db=0.00, mfg=66.21 ]			C37 H33 N3 O3	+	567.2527	1.243	33.1		(568.26, 1900.16)(569.2614, 940.22)	FindByMolecularFeature	C37 H33 N3 O3	1
C37 H41 N20 O2 S4	[ C37 H41 N20 O2 S4, overall=35.82, db=0.00, mfg=71.64 ]			C37 H41 N20 O2 S4	+	925.2613	1.012	35.82		(926.2686, 5196.71)(927.2671, 3016.14)(928.2615, 1881.09)	FindByMolecularFeature	C37 H41 N20 O2 S4	1
C37 H67 N30 O4	[ C37 H67 N30 O4, overall=31.67, db=0.00, mfg=63.35 ]			C37 H67 N30 O4	+	995.5951	2.254	31.67		(996.6024, 2884.79)(997.6063, 1650.82)	FindByMolecularFeature	C37 H67 N30 O4	1
C37 H75 N4 O3	[ C37 H75 N4 O3, overall=36.29, db=0.00, mfg=72.58 ]			C37 H75 N4 O3	+	623.5844	3.683	36.29		(624.5917, 2663.35)(625.5952, 945.02)	FindByMolecularFeature	C37 H75 N4 O3	1
C38 H28 Cl N5 O3 S	[ C38 H28 Cl N5 O3 S, overall=23.81, db=0.00, mfg=47.62 ]			C38 H28 Cl N5 O3 S	+	669.159	1.022	23.81		(670.1674, 864.79)(687.1928, 22275.46)(688.1856, 16203.63)(689.1826, 7828.47)	FindByMolecularFeature	C38 H28 Cl N5 O3 S	1
C38 H29 N20 O9	[ C38 H29 N20 O9, overall=30.76, db=0.00, mfg=61.52 ]			C38 H29 N20 O9	+	909.243	1.016	30.76		(910.2502, 2165.39)(911.2498, 1179.78)	FindByMolecularFeature	C38 H29 N20 O9	1
C38 H42 N2 S2	[ C38 H42 N2 S2, overall=32.39, db=0.00, mfg=64.79 ]			C38 H42 N2 S2	+	590.2817	1.698	32.39		(591.289, 1458.76)(592.2832, 861.15)(593.2892, 625.62)	FindByMolecularFeature	C38 H42 N2 S2	1
C38 H47 N3 O	[ C38 H47 N3 O, overall=35.58, db=0.00, mfg=71.16 ]			C38 H47 N3 O	+	561.373	3.475	35.58		(562.3802, 1551.97)(563.3814, 650.61)	FindByMolecularFeature	C38 H47 N3 O	1
C38 H56 N11 +4.947	[ C38 H56 N11, overall=35.90, db=0.00, mfg=71.80 ]			C38 H56 N11 +4.947	+	666.4721	4.947	35.9		(667.4794, 2609.14)(668.4822, 1195.34)	FindByMolecularFeature	C38 H56 N11	1
C38 H67 N21 O4	[ C38 H67 N21 O4, overall=31.74, db=0.00, mfg=63.47 ]			C38 H67 N21 O4	+	881.5674	1.07	31.74		(882.5746, 1920.92)(883.5788, 1083.82)	FindByMolecularFeature	C38 H67 N21 O4	1
C38 H69 N8 O3	[ C38 H69 N8 O3, overall=34.27, db=0.00, mfg=68.54 ]			C38 H69 N8 O3	+	685.5503	1.019	34.27		(686.5576, 2382.61)(687.558, 908.86)	FindByMolecularFeature	C38 H69 N8 O3	1
C38 H71 N8 O3	[ C38 H71 N8 O3, overall=35.62, db=0.00, mfg=71.25 ]			C38 H71 N8 O3	+	687.5652	1.02	35.62		(688.5725, 1628.68)(689.575, 726.25)	FindByMolecularFeature	C38 H71 N8 O3	1
C39 H27 N8 O S2	[ C39 H27 N8 O S2, overall=40.46, db=0.00, mfg=80.92 ]			C39 H27 N8 O S2	+	687.1778	1.026	40.46		(688.183, 17164.91)(689.1821, 8332.39)(690.1788, 3961.21)(705.213, 24809.58)(706.21, 12547.05)(707.207, 4982.93)	FindByMolecularFeature	C39 H27 N8 O S2	1
C39 H47 N8 O	[ C39 H47 N8 O, overall=35.75, db=0.00, mfg=71.50 ]			C39 H47 N8 O	+	643.3879	1.166	35.75		(644.3952, 2853.81)(645.3983, 1245.87)	FindByMolecularFeature	C39 H47 N8 O	1
C39 H52 N27 +1.838	[ C39 H52 N27, overall=31.21, db=0.00, mfg=62.41 ]			C39 H52 N27 +1.838	+	898.4897	1.838	31.21		(899.4975, 1346.78)(900.4983, 847.12)(916.5232, 1607.91)(917.5267, 1223.46)	FindByMolecularFeature	C39 H52 N27	1
C39 H53 N21 O2	[ C39 H53 N21 O2, overall=30.67, db=0.00, mfg=61.34 ]			C39 H53 N21 O2	+	847.4682	1.044	30.67		(870.4581, 2217.46)(871.4629, 1333.01)(848.4735, 892.78)	FindByMolecularFeature	C39 H53 N21 O2	1
C39 H56 N2 O3	[ C39 H56 N2 O3, overall=28.57, db=0.00, mfg=57.13 ]			C39 H56 N2 O3	+	600.4312	4.659	28.57		(601.4384, 1374.13)(602.4383, 800.22)	FindByMolecularFeature	C39 H56 N2 O3	1
C39 H71 N8 O2	[ C39 H71 N8 O2, overall=30.90, db=0.00, mfg=61.80 ]			C39 H71 N8 O2	+	683.5698	3.645	30.9		(684.5771, 1652.21)(685.5809, 1040.85)	FindByMolecularFeature	C39 H71 N8 O2	1
C4 H12 O4	[ C4 H12 O4, overall=19.95, db=0.00, mfg=39.90 ]			C4 H12 O4	+	124.0721	1.14	19.95		(125.0797, 2117.21)(266.1769, 750.57)	FindByMolecularFeature	C4 H12 O4	1
C4 H9 N2 S2	[ C4 H9 N2 S2, overall=23.78, db=0.00, mfg=47.57 ]			C4 H9 N2 S2	+	149.0213	1.052	23.78		(150.0279, 1673.47)(167.056, 1525.87)	FindByMolecularFeature	C4 H9 N2 S2	1
C40 H29 N7 O2	[ C40 H29 N7 O2, overall=31.79, db=0.00, mfg=63.58 ]			C40 H29 N7 O2	+	639.2396	1.023	31.79		(640.2469, 1957.13)(641.248, 1061.84)	FindByMolecularFeature	C40 H29 N7 O2	1
C40 H45 Cl N3 S	[ C40 H45 Cl N3 S, overall=32.04, db=0.00, mfg=64.08 ]			C40 H45 Cl N3 S	+	634.2995	3.571	32.04		(635.3068, 1266.25)(636.3095, 777.47)(637.3158, 857.38)	FindByMolecularFeature	C40 H45 Cl N3 S	1
C40 H48 N28 O	[ C40 H48 N28 O, overall=31.20, db=0.00, mfg=62.40 ]			C40 H48 N28 O	+	936.4563	1.098	31.2		(937.4636, 2627.19)(938.4662, 1704.13)	FindByMolecularFeature	C40 H48 N28 O	1
C40 H51 N3 O2	[ C40 H51 N3 O2, overall=35.40, db=0.00, mfg=70.80 ]			C40 H51 N3 O2	+	605.3978	3.779	35.4		(606.4051, 2087.85)(607.4099, 895.3)	FindByMolecularFeature	C40 H51 N3 O2	1
C40 H51 N3 O3 +4.73	[ C40 H51 N3 O3, overall=34.89, db=0.00, mfg=69.77 ]			C40 H51 N3 O3 +4.73	+	621.3937	4.73	34.89		(622.401, 1532.73)(623.4023, 656.22)	FindByMolecularFeature	C40 H51 N3 O3	1
C40 H71 O12 S	[ C40 H71 O12 S, overall=47.24, db=0.00, mfg=94.49 ]			C40 H71 O12 S	+	775.4659	1.411	47.24		(776.4732, 7059.37)(777.4765, 2937.03)(778.4793, 1167.51)	FindByMolecularFeature	C40 H71 O12 S	1
C41 H47 N6	[ C41 H47 N6, overall=32.02, db=0.00, mfg=64.03 ]			C41 H47 N6	+	623.3879	1.092	32.02		(624.3952, 3258.62)(625.3949, 1613.39)	FindByMolecularFeature	C41 H47 N6	1
C41 H59 N22 O	[ C41 H59 N22 O, overall=31.95, db=0.00, mfg=63.91 ]			C41 H59 N22 O	+	875.5241	3.493	31.95		(876.5314, 2518.58)(877.5352, 1460.68)	FindByMolecularFeature	C41 H59 N22 O	1
C42 H50 N10	[ C42 H50 N10, overall=29.92, db=0.00, mfg=59.83 ]			C42 H50 N10	+	694.4222	8.913	29.92		(695.4295, 1335.33)(696.4306, 887.44)	FindByMolecularFeature	C42 H50 N10	1
C42 H55 N3 O3	[ C42 H55 N3 O3, overall=30.88, db=0.00, mfg=61.77 ]			C42 H55 N3 O3	+	649.4245	4.065	30.88		(650.4318, 1458.9)(651.4337, 889.89)	FindByMolecularFeature	C42 H55 N3 O3	1
C42 H81 N O4	[ C42 H81 N O4, overall=34.63, db=0.00, mfg=69.27 ]			C42 H81 N O4	+	663.616	3.66	34.63		(664.6233, 7190.12)(665.6271, 3366.25)	FindByMolecularFeature	C42 H81 N O4	1
C43 H55 N8 O3	[ C43 H55 N8 O3, overall=33.30, db=0.00, mfg=66.60 ]			C43 H55 N8 O3	+	731.4393	1.32	33.3		(732.4466, 1529.16)(733.4515, 737.43)	FindByMolecularFeature	C43 H55 N8 O3	1
C44 H51 N10 O	[ C44 H51 N10 O, overall=32.93, db=0.00, mfg=65.86 ]			C44 H51 N10 O	+	735.4252	5.718	32.93		(736.4325, 1820.17)(737.4361, 972.02)	FindByMolecularFeature	C44 H51 N10 O	1
C44 H61 N O8	[ C44 H61 N O8, overall=47.47, db=0.00, mfg=94.93 ]			C44 H61 N O8	+	731.4401	1.26	47.47		(732.4474, 7073.69)(733.4503, 3108.35)(734.4539, 1117.91)	FindByMolecularFeature	C44 H61 N O8	1
C44 H61 N15 O3	[ C44 H61 N15 O3, overall=48.31, db=0.00, mfg=96.62 ]			C44 H61 N15 O3	+	847.5078	2.089	48.31		(848.5151, 4648.91)(849.5177, 2685.36)(850.52, 789.01)	FindByMolecularFeature	C44 H61 N15 O3	1
C44 H86 N2 O2	[ C44 H86 N2 O2, overall=47.93, db=0.00, mfg=95.85 ]			C44 H86 N2 O2	+	674.6686	1.139	47.93		(675.6758, 8607.16)(676.6797, 4014.93)(677.6829, 1349.08)	FindByMolecularFeature	C44 H86 N2 O2	1
C44 H94 N13 O2	[ C44 H94 N13 O2, overall=32.04, db=0.00, mfg=64.08 ]			C44 H94 N13 O2	+	836.7648	1.115	32.04		(837.7721, 2691.96)(838.7777, 1185.48)	FindByMolecularFeature	C44 H94 N13 O2	1
C45 H67 N8 O8	[ C45 H67 N8 O8, overall=48.91, db=0.00, mfg=97.82 ]			C45 H67 N8 O8	+	847.5075	2.274	48.91		(848.5148, 6488.63)(849.5184, 3262.19)(850.5211, 899.02)	FindByMolecularFeature	C45 H67 N8 O8	1
C45 H74 N4 O13	[ C45 H74 N4 O13, overall=29.72, db=0.00, mfg=59.44 ]			C45 H74 N4 O13	+	878.5247	8.364	29.72		(879.532, 1186.88)(880.5374, 763.08)	FindByMolecularFeature	C45 H74 N4 O13	1
C45 H94 N O	[ C45 H94 N O, overall=27.42, db=0.00, mfg=54.84 ]			C45 H94 N O	+	664.7366	8.798	27.42		(665.7439, 4414.05)(666.7445, 1538.32)	FindByMolecularFeature	C45 H94 N O	1
C46 H67 N18 O4	[ C46 H67 N18 O4, overall=48.41, db=0.00, mfg=96.81 ]			C46 H67 N18 O4	+	935.5595	2.994	48.41		(936.5668, 4307.02)(937.5701, 2437.52)(938.5733, 808.27)	FindByMolecularFeature	C46 H67 N18 O4	1
C47 H70 N7 O3	[ C47 H70 N7 O3, overall=31.30, db=0.00, mfg=62.60 ]			C47 H70 N7 O3	+	780.5531	1.528	31.3		(781.5604, 1937.4)(782.5655, 1118.61)	FindByMolecularFeature	C47 H70 N7 O3	1
C47 H70 N7 O3 +1.687	[ C47 H70 N7 O3, overall=31.47, db=0.00, mfg=62.94 ]			C47 H70 N7 O3 +1.687	+	780.5543	1.687	31.47		(781.5616, 1801.45)(782.565, 1107.54)	FindByMolecularFeature	C47 H70 N7 O3	1
C47 H72 N7 O2	[ C47 H72 N7 O2, overall=31.03, db=0.00, mfg=62.06 ]			C47 H72 N7 O2	+	766.5748	1.085	31.03		(767.5821, 1733.72)(768.5845, 1125.71)	FindByMolecularFeature	C47 H72 N7 O2	1
C47 H73 N8 O3	[ C47 H73 N8 O3, overall=32.14, db=0.00, mfg=64.28 ]			C47 H73 N8 O3	+	797.5811	1.246	32.14		(798.5884, 6363.11)(799.5903, 3542.69)	FindByMolecularFeature	C47 H73 N8 O3	1
C47 H91 N11	[ C47 H91 N11, overall=32.39, db=0.00, mfg=64.79 ]			C47 H91 N11	+	809.746	1.133	32.39		(810.7533, 3634.35)(811.7555, 2053.2)	FindByMolecularFeature	C47 H91 N11	1
C47 H98 N O2	[ C47 H98 N O2, overall=30.06, db=0.00, mfg=60.12 ]			C47 H98 N O2	+	708.7621	9.012	30.06		(709.7694, 3618.58)(710.7715, 1398.33)	FindByMolecularFeature	C47 H98 N O2	1
C48 H61 N15 O	[ C48 H61 N15 O, overall=48.60, db=0.00, mfg=97.19 ]			C48 H61 N15 O	+	863.5182	1.628	48.6		(864.5255, 8209.86)(865.5288, 4667.7)(866.5299, 1160.02)	FindByMolecularFeature	C48 H61 N15 O	1
C48 H66 N22 O	[ C48 H66 N22 O, overall=28.96, db=0.00, mfg=57.92 ]			C48 H66 N22 O	+	966.5803	8.651	28.96		(967.5876, 1358.91)(968.586, 855.35)	FindByMolecularFeature	C48 H66 N22 O	1
C48 H94 Cl N3 O2	[ C48 H94 Cl N3 O2, overall=32.05, db=0.00, mfg=64.10 ]			C48 H94 Cl N3 O2	+	779.6996	1.063	32.05		(780.7068, 3929.33)(781.7109, 1583.19)(782.7204, 2123.01)	FindByMolecularFeature	C48 H94 Cl N3 O2	1
C48 H94 N17 O	[ C48 H94 N17 O, overall=29.68, db=0.00, mfg=59.35 ]			C48 H94 N17 O	+	924.7817	1.066	29.68		(925.789, 1794.59)(926.7951, 1116.86)	FindByMolecularFeature	C48 H94 N17 O	1
C48 H95 N O6	[ C48 H95 N O6, overall=44.07, db=0.00, mfg=88.14 ]			C48 H95 N O6	+	781.7152	1.093	44.07		(782.7225, 4281.59)(783.7252, 2065.68)(784.7299, 935.43)	FindByMolecularFeature	C48 H95 N O6	1
C49 H67 O2	[ C49 H67 O2, overall=30.66, db=0.00, mfg=61.33 ]			C49 H67 O2	+	687.5139	2.311	30.66		(688.5212, 1338.15)(689.5246, 923.55)	FindByMolecularFeature	C49 H67 O2	1
C49 H89 N8 O	[ C49 H89 N8 O, overall=30.61, db=0.00, mfg=61.21 ]			C49 H89 N8 O	+	805.7158	1.063	30.61		(806.7231, 1883.72)(807.7277, 1219.44)	FindByMolecularFeature	C49 H89 N8 O	1
C5 Cl3 N O S	[ C5 Cl3 N O S, overall=23.76, db=0.00, mfg=47.52 ]			C5 Cl3 N O S	+	226.8772	2.124	23.76		(227.8854, 794.93)(244.9106, 1739.32)	FindByMolecularFeature	C5 Cl3 N O S	1
C5 H13 O S	[ C5 H13 O S, overall=27.96, db=0.00, mfg=55.93 ]			C5 H13 O S	+	121.0702	3.783	27.96		(122.0775, 7241.79)(123.0882, 128.37)	FindByMolecularFeature	C5 H13 O S	1
C5 H9 N3 O	[ C5 H9 N3 O, overall=22.89, db=0.00, mfg=45.79 ]			C5 H9 N3 O	+	127.0743	6.068	22.89		(277.1394, 893.05)(128.0813, 2058.33)	FindByMolecularFeature	C5 H9 N3 O	1
C50 H93 N8 O4	[ C50 H93 N8 O4, overall=31.52, db=0.00, mfg=63.04 ]			C50 H93 N8 O4	+	869.7319	1.045	31.52		(870.7392, 2106.04)(871.7424, 1262.03)	FindByMolecularFeature	C50 H93 N8 O4	1
C50 H98 Cl N3 O2	[ C50 H98 Cl N3 O2, overall=33.75, db=0.00, mfg=67.49 ]			C50 H98 Cl N3 O2	+	807.7311	1.099	33.75		(808.7384, 8922.46)(809.7424, 4294.43)(810.7518, 3630.81)	FindByMolecularFeature	C50 H98 Cl N3 O2	1
C51 H55 N11 O3	[ C51 H55 N11 O3, overall=30.57, db=0.00, mfg=61.15 ]			C51 H55 N11 O3	+	869.4492	1.041	30.57		(870.4565, 1740.22)(871.4602, 1155.92)	FindByMolecularFeature	C51 H55 N11 O3	1
C52 H69 N15 O3	[ C52 H69 N15 O3, overall=47.59, db=0.00, mfg=95.17 ]			C52 H69 N15 O3	+	951.5701	1.995	47.59		(952.5773, 4572.78)(953.5802, 3014.05)(954.5832, 1048.39)	FindByMolecularFeature	C52 H69 N15 O3	1
C53 H89 N15	[ C53 H89 N15, overall=30.29, db=0.00, mfg=60.59 ]			C53 H89 N15	+	935.742	1.015	30.29		(936.7492, 2222.19)(937.7539, 1457.44)	FindByMolecularFeature	C53 H89 N15	1
C54 H102 N10 O3	[ C54 H102 N10 O3, overall=30.18, db=0.00, mfg=60.36 ]			C54 H102 N10 O3	+	938.8146	1.023	30.18		(939.8219, 2613.15)(940.8242, 1829.12)	FindByMolecularFeature	C54 H102 N10 O3	1
C55 H70 N5 O7 S	[ C55 H70 N5 O7 S, overall=45.15, db=0.00, mfg=90.31 ]			C55 H70 N5 O7 S	+	944.499	1.11	45.15		(967.4885, 1480.1)(945.5059, 1168.46)(946.5067, 830.24)(962.5328, 8091.14)(963.5371, 4648.94)(964.5361, 2254.48)	FindByMolecularFeature	C55 H70 N5 O7 S	1
C56 H89 N O	[ C56 H89 N O, overall=26.52, db=0.00, mfg=53.05 ]			C56 H89 N O	+	791.691	1.045	26.52		(792.6983, 1407.58)(793.7091, 893.72)	FindByMolecularFeature	C56 H89 N O	1
C6 H11 N2	[ C6 H11 N2, overall=19.11, db=0.00, mfg=38.23 ]			C6 H11 N2	+	111.092	9.238	19.11		(112.0994, 2503.69)(113.1068, 674.45)(223.1902, 775.94)	FindByMolecularFeature	C6 H11 N2	1
C6 H16 N S	[ C6 H16 N S, overall=23.79, db=0.00, mfg=47.58 ]			C6 H16 N S	+	134.1007	1.328	23.79		(291.1924, 751.21)(135.1077, 2060.93)	FindByMolecularFeature	C6 H16 N S	1
C6 H18 N5 O2	[ C6 H18 N5 O2, overall=23.81, db=0.00, mfg=47.62 ]			C6 H18 N5 O2	+	192.1461	1.142	23.81		(193.1534, 2029.92)(402.3259, 855.26)	FindByMolecularFeature	C6 H18 N5 O2	1
C6 H4 O S	[ C6 H4 O S, overall=33.55, db=0.00, mfg=67.09 ]			C6 H4 O S	+	123.998	7.7	33.55		(125.0053, 8741.41)(126.0107, 1032.73)	FindByMolecularFeature	C6 H4 O S	1
C7 H13 N	[ C7 H13 N, overall=33.55, db=0.00, mfg=67.10 ]			C7 H13 N	+	111.1044	5.457	33.55		(112.1117, 4267.64)(113.112, 585.35)	FindByMolecularFeature	C7 H13 N	1
C7 H13 N5	[ C7 H13 N5, overall=40.03, db=0.00, mfg=80.06 ]			C7 H13 N5	+	167.1159	1.709	40.03		(168.1232, 32381.94)(169.1261, 2581.8)	FindByMolecularFeature	C7 H13 N5	1
C7 H14 N2 O	[ C7 H14 N2 O, overall=30.29, db=0.00, mfg=60.58 ]			C7 H14 N2 O	+	142.1105	6.758	30.29		(143.1178, 8654.91)(144.1195, 1900.69)	FindByMolecularFeature	C7 H14 N2 O	1
C7 H15 Cl N3 S3	[ C7 H15 Cl N3 S3, overall=23.80, db=0.00, mfg=47.60 ]			C7 H15 Cl N3 S3	+	272.0113	5.412	23.8		(295.0005, 3972.15)(567.0119, 1808.01)(273.019, 855.0)(545.03, 1285.83)	FindByMolecularFeature	C7 H15 Cl N3 S3	1
C7 H19 N8 O2	[ C7 H19 N8 O2, overall=23.71, db=0.00, mfg=47.42 ]			C7 H19 N8 O2	+	247.1623	1.345	23.71		(517.3151, 758.55)(248.171, 571.19)(495.3307, 2233.49)(496.3378, 1021.46)	FindByMolecularFeature	C7 H19 N8 O2	1
C7 H2 Cl3 N2 O2 S2	[ C7 H2 Cl3 N2 O2 S2, overall=23.81, db=0.00, mfg=47.61 ]			C7 H2 Cl3 N2 O2 S2	+	314.8621	7.722	23.81		(337.8516, 1033.19)(315.8691, 1341.59)	FindByMolecularFeature	C7 H2 Cl3 N2 O2 S2	1
C7 H20 N5 O2	[ C7 H20 N5 O2, overall=21.20, db=0.00, mfg=42.40 ]			C7 H20 N5 O2	+	206.1604	1.125	21.2		(207.1679, 752.44)(430.3544, 2021.4)	FindByMolecularFeature	C7 H20 N5 O2	1
C7 H21 N4 O5	[ C7 H21 N4 O5, overall=41.78, db=0.00, mfg=83.56 ]			C7 H21 N4 O5	+	241.1509	8.425	41.78		(242.1581, 13474.3)(243.1615, 1598.18)	FindByMolecularFeature	C7 H21 N4 O5	1
C7 H23 N7 O5 S	[ C7 H23 N7 O5 S, overall=23.81, db=0.00, mfg=47.62 ]			C7 H23 N7 O5 S	+	317.1493	1.672	23.81		(318.1554, 733.27)(635.3067, 1232.47)	FindByMolecularFeature	C7 H23 N7 O5 S	1
C7 H3 Cl3 N6 O4 S3	[ C7 H3 Cl3 N6 O4 S3, overall=23.81, db=0.00, mfg=47.62 ]			C7 H3 Cl3 N6 O4 S3	+	435.8424	6.074	23.81		(458.8302, 1183.43)(436.8516, 930.4)	FindByMolecularFeature	C7 H3 Cl3 N6 O4 S3	1
C75	C75 [ C14 H22 O4, overall=79.91, db=79.91, CAS ID=191282-48-1, METLIN ID=44901 ]	191282-48-1		C75	+	276.1327	7.628	79.91		(277.14, 3061.01)(278.145, 529.33)	FindByMolecularFeature	C14 H22 O4	1
C8 H11 Cl O4 S2	[ C8 H11 Cl O4 S2, overall=23.81, db=0.00, mfg=47.62 ]			C8 H11 Cl O4 S2	+	269.9788	6.199	23.81		(292.968, 1188.18)(270.986, 2734.4)	FindByMolecularFeature	C8 H11 Cl O4 S2	1
C8 H16	[ C8 H16, overall=36.87, db=0.00, mfg=73.74 ]			C8 H16	+	112.1251	1.039	36.87		(113.1324, 4173.37)(114.1352, 678.59)	FindByMolecularFeature	C8 H16	1
C8 H18 N4 O S	[ C8 H18 N4 O S, overall=23.59, db=0.00, mfg=47.19 ]			C8 H18 N4 O S	+	218.1203	1.233	23.59		(219.1271, 1508.07)(236.1546, 1513.34)	FindByMolecularFeature	C8 H18 N4 O S	1
C8 H21 Cl N8 O2	[ C8 H21 Cl N8 O2, overall=23.80, db=0.00, mfg=47.60 ]			C8 H21 Cl N8 O2	+	296.1477	2.753	23.8		(319.1373, 1249.58)(297.1548, 1970.96)	FindByMolecularFeature	C8 H21 Cl N8 O2	1
C8 H22 N2 O2 S2	[ C8 H22 N2 O2 S2, overall=23.73, db=0.00, mfg=47.47 ]			C8 H22 N2 O2 S2	+	242.1132	1.571	23.73		(243.1229, 1021.59)(260.1459, 1977.07)	FindByMolecularFeature	C8 H22 N2 O2 S2	1
C8 H24 N4 O6	[ C8 H24 N4 O6, overall=23.81, db=0.00, mfg=47.61 ]			C8 H24 N4 O6	+	272.1697	2.782	23.81		(295.1593, 581.15)(273.1769, 1906.44)	FindByMolecularFeature	C8 H24 N4 O6	1
C9 H13 N8	[ C9 H13 N8, overall=36.98, db=0.00, mfg=73.96 ]			C9 H13 N8	+	233.1269	2.969	36.98		(256.1179, 1099.39)(234.1339, 4748.8)(235.1361, 989.51)	FindByMolecularFeature	C9 H13 N8	1
C9 H17 N3 O +5.614	[ C9 H17 N3 O, overall=42.99, db=0.00, mfg=85.97 ]			C9 H17 N3 O +5.614	+	183.1372	5.614	42.99		(184.1445, 9196.42)(185.1477, 812.48)	FindByMolecularFeature	C9 H17 N3 O	1
C9 H18 N2 O +9.391	[ C9 H18 N2 O, overall=23.66, db=0.00, mfg=47.33 ]			C9 H18 N2 O +9.391	+	170.1418	9.391	23.66		(171.1497, 1151.71)(188.1755, 4268.67)	FindByMolecularFeature	C9 H18 N2 O	1
C9 H19 N5 S	[ C9 H19 N5 S, overall=23.38, db=0.00, mfg=46.75 ]			C9 H19 N5 S	+	229.1344	1.201	23.38		(252.1258, 899.44)(230.1406, 1844.96)	FindByMolecularFeature	C9 H19 N5 S	1
C9 H7 Cl N4 O	[ C9 H7 Cl N4 O, overall=23.81, db=0.00, mfg=47.61 ]			C9 H7 Cl N4 O	+	222.032	2.148	23.81		(223.0395, 1961.27)(240.0647, 759.77)	FindByMolecularFeature	C9 H7 Cl N4 O	1
Canthiumine +1.508	Canthiumine [ C33 H36 N4 O4, overall=56.83, db=56.83, CAS ID=26195-90-4, KEGG ID=C10000, METLIN ID=68079 ]	26195-90-4		Canthiumine +1.508	+	569.3022	1.508	56.83	C10000	(570.3095, 3869.43)(571.3155, 1560.96)	FindByMolecularFeature	C33 H36 N4 O4	1
Capillartemisin A	Capillartemisin A [ C19 H24 O4, overall=73.06, db=73.06, CAS ID=85819-52-9, KEGG ID=C17789, METLIN ID=71905 ]	85819-52-9		Capillartemisin A	+	338.1487	2.93	73.06	C17789	(339.1559, 2882.03)(340.1589, 814.01)	FindByMolecularFeature	C19 H24 O4	1
Capillartemisin B +2.004	Capillartemisin B [ C19 H24 O4, overall=47.18, db=47.18, CAS ID=85819-51-8, KEGG ID=C17795, METLIN ID=71906 ]	85819-51-8		Capillartemisin B +2.004	+	316.1675	2.004	47.18	C17795	(339.1548, 1187.38)(317.1751, 2162.32)	FindByMolecularFeature	C19 H24 O4	1
Capsaicin	Capsaicin [ C18 H29 N O3, overall=98.91, db=98.91, Lipid ID=LMFA08020085, METLIN ID=75467 ]			Capsaicin	+	307.2149	1.682	98.91		(308.2226, 933.17)(325.2487, 33523.3)(326.2523, 6639.9)(327.2546, 1282.01)	FindByMolecularFeature	C18 H29 N O3	1		LMFA08020085
carbenicillin	carbenicillin [ C17 H18 N2 O6 S, overall=46.20, db=46.20, CAS ID=4697-36-3, KEGG ID=C06869, METLIN ID=3946 ]	4697-36-3		carbenicillin	+	400.0728	2.004	46.2	C06869	(401.0801, 1861.41)(402.0833, 836.33)	FindByMolecularFeature	C17 H18 N2 O6 S	1
Carbidopa	Carbidopa [ C10 H14 N2 O4, overall=69.38, db=69.38, CAS ID=28860-95-9, KEGG ID=C07562, METLIN ID=1500 ]	28860-95-9		Carbidopa	+	226.0954	3.896	69.38	C07562	(227.1033, 1795.22)(228.0995, 653.97)(229.1011, 516.15)(244.1288, 4489.93)(245.1321, 993.73)	FindByMolecularFeature	C10 H14 N2 O4	1
Carbofuran	Carbofuran [ C12 H15 N O3, overall=67.83, db=67.83, CAS ID=1563-66-2, KEGG ID=C14291, METLIN ID=44573 ]	1563-66-2		Carbofuran	+	221.1059	6.681	67.83	C14291	(222.1131, 3566.86)(223.1176, 783.48)	FindByMolecularFeature	C12 H15 N O3	1
Cardiogenol C +1.418	Cardiogenol C [ C13 H16 N4 O2, overall=53.77, db=53.77, CAS ID=671225-39-1, METLIN ID=64802 ]	671225-39-1		Cardiogenol C +1.418	+	282.1107	1.418	53.77		(283.118, 2046.63)(284.1196, 760.32)	FindByMolecularFeature	C13 H16 N4 O2	1
Caribine	Caribine [ C19 H22 N2 O3, overall=69.83, db=69.83, CAS ID=74483-60-6, KEGG ID=C08522, METLIN ID=67042 ]	74483-60-6		Caribine	+	326.162	1.443	69.83	C08522	(327.1693, 4504.26)(328.1712, 1277.1)	FindByMolecularFeature	C19 H22 N2 O3	1
Carolinianine	Carolinianine [ C16 H24 N2 O2, overall=65.16, db=65.16, CAS ID=36101-39-0, KEGG ID=C09856, METLIN ID=67969 ]	36101-39-0		Carolinianine	+	276.1841	4.273	65.16	C09856	(277.1914, 4048.7)(278.1952, 1271.97)	FindByMolecularFeature	C16 H24 N2 O2	1
Carteolol +1.264	Carteolol [ C16 H24 N2 O3, overall=49.98, db=49.98, CAS ID=51781-06-7, KEGG ID=C06874, METLIN ID=1546 ]	51781-06-7		Carteolol +1.264	+	292.1818	1.264	49.98	C06874	(293.189, 2273.42)(294.1843, 1363.62)	FindByMolecularFeature	C16 H24 N2 O3	1
Carteolol +4.863	Carteolol [ C16 H24 N2 O3, overall=86.08, db=86.08, CAS ID=51781-06-7, KEGG ID=C06874, METLIN ID=1546 ]	51781-06-7		Carteolol +4.863	+	292.1786	4.863	86.08	C06874	(293.1859, 4089.75)(294.1895, 754.72)	FindByMolecularFeature	C16 H24 N2 O3	1
Carteolol +4.902	Carteolol [ C16 H24 N2 O3, overall=59.00, db=59.00, CAS ID=51781-06-7, KEGG ID=C06874, METLIN ID=1546 ]	51781-06-7		Carteolol +4.902	+	292.1785	4.902	59	C06874	(293.1857, 3054.31)(294.1895, 1533.85)	FindByMolecularFeature	C16 H24 N2 O3	1
Castanospermine	Castanospermine [ C8 H15 N O4, overall=54.42, db=54.42, CAS ID=79831-76-8, KEGG ID=C02256, METLIN ID=65740 ]	79831-76-8		Castanospermine	+	189.1005	1.787	54.42	C02256	(190.1078, 4336.08)(191.1146, 857.51)	FindByMolecularFeature	C8 H15 N O4	1
CAY10464	CAY10464 [ C15 H12 Cl2 O, overall=47.39, db=47.39, CAS ID=688348-37-0, METLIN ID=44936 ]	688348-37-0		CAY10464	+	295.0525	1.337	47.39		(296.0601, 2748.53)(591.1097, 912.76)	FindByMolecularFeature	C15 H12 Cl2 O	1
CAY10492	CAY10492 [ C17 H22 N3 O2, overall=41.39, db=41.39, CAS ID=252978-89-5, METLIN ID=44967 ]	252978-89-5		CAY10492	+	300.1712	3.073	41.39		(323.1622, 1603.84)(301.1771, 2251.11)	FindByMolecularFeature	C17 H22 N3 O2	1
CAY10492 +1.611	CAY10492 [ C17 H22 N3 O2, overall=61.90, db=61.90, CAS ID=252978-89-5, METLIN ID=44967 ]	252978-89-5		CAY10492 +1.611	+	300.171	1.611	61.9		(301.1783, 2387.53)(302.1807, 882.84)	FindByMolecularFeature	C17 H22 N3 O2	1
CAY10514	CAY10514 [ C20 H28 O4, overall=72.57, db=72.57, CAS ID=868526-38-9, METLIN ID=45155 ]	868526-38-9		CAY10514	+	332.2006	4.873	72.57		(333.2079, 4653.71)(334.2077, 1007.78)	FindByMolecularFeature	C20 H28 O4	1
CAY10580	CAY10580 [ C19 H35 N O4, overall=57.58, db=57.58, CAS ID=64054-40-6, METLIN ID=45720 ]	64054-40-6		CAY10580	+	341.2547	1.126	57.58		(342.2619, 4154.99)(343.2654, 1393.21)	FindByMolecularFeature	C19 H35 N O4	1
CBHA	CBHA [ C10 H10 N2 O4, overall=59.42, db=59.42, CAS ID=174664-65-4, METLIN ID=44839 ]	174664-65-4		CBHA	+	239.0907	4.004	59.42		(240.0979, 2586.85)(241.1016, 808.0)	FindByMolecularFeature	C10 H10 N2 O4	1
Cerivastatin	Cerivastatin [ C26 H34 F N O5, overall=60.72, db=60.72, CAS ID=145599-86-6, KEGG ID=C07966, METLIN ID=66775 ]	145599-86-6		Cerivastatin	+	481.222	2.846	60.72	C07966	(482.2293, 1609.24)(483.2309, 721.96)(484.2424, 996.98)	FindByMolecularFeature	C26 H34 F N O5	1
Chalcomycin	Chalcomycin [ C35 H56 O14, overall=63.16, db=63.16, CAS ID=20283-48-1, KEGG ID=C15678, METLIN ID=71013 ]	20283-48-1		Chalcomycin	+	717.3944	1.068	63.16	C15678	(718.4016, 2091.73)(719.4038, 1043.28)	FindByMolecularFeature	C35 H56 O14	1
Chamazulene +1.572	Chamazulene [ C14 H16, overall=41.97, db=41.97, KEGG ID=C09633, METLIN ID=41200 ]			Chamazulene +1.572	+	184.1257	1.572	41.97	C09633	(185.1314, 1238.5)(369.2609, 949.55)	FindByMolecularFeature	C14 H16	1
Chlorbufam	Chlorbufam [ C11 H10 Cl N O2, overall=51.28, db=51.28, CAS ID=1967-16-4, KEGG ID=C19060, METLIN ID=72808 ]	1967-16-4		Chlorbufam	+	240.0675	1.042	51.28	C19060	(241.0748, 3185.92)(242.0751, 640.71)	FindByMolecularFeature	C11 H10 Cl N O2	1
Chloromethiuron	Chloromethiuron [ C10 H13 Cl N2 S, overall=55.51, db=55.51, CAS ID=28217-97-2, KEGG ID=C19026, METLIN ID=72777 ]	28217-97-2		Chloromethiuron	+	245.0744	1.575	55.51	C19026	(246.0817, 2961.69)(247.0841, 652.58)	FindByMolecularFeature	C10 H13 Cl N2 S	1
ciclopirox +6.818	ciclopirox [ C12 H17 N O2, overall=54.44, db=54.44, CAS ID=29342-05-0, METLIN ID=3961 ]	29342-05-0		ciclopirox +6.818	+	207.1267	6.818	54.44		(208.134, 2972.18)(209.1352, 1064.13)	FindByMolecularFeature	C12 H17 N O2	1
Cilazapril	Cilazapril [ C22 H31 N3 O5, overall=67.49, db=67.49, CAS ID=92077-78-6, KEGG ID=C11693, METLIN ID=1748 ]	92077-78-6		Cilazapril	+	417.2254	6.487	67.49	C11693	(418.2327, 1705.15)(419.2379, 592.66)	FindByMolecularFeature	C22 H31 N3 O5	1
Cinchonidinone	Cinchonidinone [ C19 H20 N2 O, overall=63.60, db=63.60, KEGG ID=C16846, METLIN ID=71382 ]			Cinchonidinone	+	314.1412	8.932	63.6	C16846	(315.1485, 3415.43)(316.1517, 1049.17)	FindByMolecularFeature	C19 H20 N2 O	1
Cinnamodial	Cinnamodial [ C17 H24 O5, overall=53.43, db=53.43, CAS ID=23599-45-3, KEGG ID=C09638, METLIN ID=67857 ]	23599-45-3		Cinnamodial	+	325.1898	1.728	53.43	C09638	(326.1971, 2366.05)(327.2013, 1476.12)	FindByMolecularFeature	C17 H24 O5	1
Ciprofloxacin	Ciprofloxacin [ C17 H18 F N3 O3, overall=56.52, db=56.52, CAS ID=85721-33-1, KEGG ID=C05349, METLIN ID=1772 ]	85721-33-1		Ciprofloxacin	+	348.1595	2.487	56.52	C05349	(349.1668, 1756.85)(350.168, 705.93)	FindByMolecularFeature	C17 H18 F N3 O3	1
cis-Zeatin +5.183	cis-Zeatin [ C10 H13 N5 O, overall=74.09, db=74.09, CAS ID=, KEGG ID=C15545, METLIN ID=64074 ]			cis-Zeatin +5.183	+	219.1125	5.183	74.09	C15545	(220.1198, 3827.04)(221.123, 758.65)	FindByMolecularFeature	C10 H13 N5 O	1
Citrinin	Citrinin [ C13 H14 O5, overall=41.82, db=41.82, CAS ID=518-75-2, KEGG ID=C16765, METLIN ID=71325 ]	518-75-2		Citrinin	+	267.1111	6.512	41.82	C16765	(268.1184, 1775.6)(269.1156, 832.93)	FindByMolecularFeature	C13 H14 O5	1
Clionamide	Clionamide [ C19 H18 Br N3 O4, overall=48.14, db=48.14, CAS ID=68835-91-6, KEGG ID=C17092, METLIN ID=71553 ]	68835-91-6		Clionamide	+	448.0757	1.088	48.14	C17092	(449.0829, 3133.91)(450.0792, 1255.94)	FindByMolecularFeature	C19 H18 Br N3 O4	1
Cobalt-precorrin 5A	Cobalt-precorrin 5A [ C45 H52 Co N4 O16, overall=42.98, db=42.98, CAS ID=, KEGG ID=C16242, METLIN ID=63949 ]			Cobalt-precorrin 5A	+	985.2592	1.026	42.98	C16242	(986.2665, 3111.72)(987.2656, 1316.31)	FindByMolecularFeature	C45 H52 Co N4 O16	1
Codeine	Codeine [ C18 H21 N O3, overall=49.99, db=49.99, CAS ID=76-57-3, KEGG ID=C06174, METLIN ID=498, HMP ID=HMDB04995 ]	76-57-3		Codeine	+	299.153	1.221	49.99	C06174	(300.1603, 1736.78)(301.1588, 757.79)	FindByMolecularFeature	C18 H21 N O3	1	HMDB04995
Compound III(S)	Compound III(S) [ C22 H30 N2 O3, overall=26.84, db=26.84, KEGG ID=C06495, METLIN ID=66417 ]			Compound III(S)	+	387.2547	1.067	26.84	C06495	(388.262, 2580.55)(389.2685, 1307.68)	FindByMolecularFeature	C22 H30 N2 O3	1
Confertifolin +1.234	Confertifolin [ C15 H22 O2, overall=47.07, db=47.07, CAS ID=1811-23-0, KEGG ID=C09376, METLIN ID=67643 ]	1811-23-0		Confertifolin +1.234	+	234.1618	1.234	47.07	C09376	(235.1689, 1527.39)(469.3319, 814.35)	FindByMolecularFeature	C15 H22 O2	1
Conhydrine +9.368	Conhydrine [ C8 H17 N O, overall=60.90, db=60.90, CAS ID=495-20-5, KEGG ID=C19983, METLIN ID=73470 ]	495-20-5		Conhydrine +9.368	+	160.1574	9.368	60.9	C19983	(161.1647, 5201.2)(162.1682, 1376.24)	FindByMolecularFeature	C8 H17 N O	1
Convoline +1.586	Convoline [ C16 H21 N O5, overall=47.41, db=47.41, CAS ID=89783-61-9, KEGG ID=C10855, METLIN ID=68633 ]	89783-61-9		Convoline +1.586	+	307.1409	1.586	47.41	C10855	(308.149, 2160.82)(325.1719, 893.0)	FindByMolecularFeature	C16 H21 N O5	1
Convoline +1.65	Convoline [ C16 H21 N O5, overall=47.61, db=47.61, CAS ID=89783-61-9, KEGG ID=C10855, METLIN ID=68633 ]	89783-61-9		Convoline +1.65	+	307.1409	1.65	47.61	C10855	(308.1492, 1434.56)(325.1737, 1315.92)	FindByMolecularFeature	C16 H21 N O5	1
Coprine +5.741	Coprine [ C8 H14 N2 O4, overall=47.60, db=47.60, CAS ID=58919-61-2, KEGG ID=C08271, METLIN ID=66878 ]	58919-61-2		Coprine +5.741	+	202.0955	5.741	47.6	C08271	(225.0849, 976.27)(203.1027, 3760.46)	FindByMolecularFeature	C8 H14 N2 O4	1
Corpaine	Corpaine [ C20 H19 N O6, overall=51.70, db=51.70, CAS ID=31002-20-7, KEGG ID=C09393, METLIN ID=67657 ]	31002-20-7		Corpaine	+	391.103	1.054	51.7	C09393	(392.1103, 2976.94)(393.1082, 1033.94)	FindByMolecularFeature	C20 H19 N O6	1
Cryptophorine	Cryptophorine [ C17 H27 N O, overall=67.03, db=67.03, CAS ID=56022-14-1, KEGG ID=C10139, METLIN ID=68146 ]	56022-14-1		Cryptophorine	+	283.19	5.476	67.03	C10139	(284.1973, 2555.03)(285.2014, 740.43)	FindByMolecularFeature	C17 H27 N O	1
Cucumopine	Cucumopine [ C11 H13 N3 O6, overall=24.08, db=24.08, CAS ID=110342-24-0, KEGG ID=C08475, METLIN ID=67006 ]	110342-24-0		Cucumopine	+	278.1238	6.407	24.08	C08475	(301.1113, 2435.24)(279.1332, 1452.95)	FindByMolecularFeature	C11 H13 N3 O6	1
Cyanofenphos	Cyanofenphos [ C15 H14 N O2 P S, overall=66.38, db=66.38, CAS ID=13067-93-1, KEGG ID=C18973, METLIN ID=72732 ]	13067-93-1		Cyanofenphos	+	325.0305	2.166	66.38	C18973	(326.0378, 2692.67)(327.0399, 706.64)	FindByMolecularFeature	C15 H14 N O2 P S	1
Cycleanine	Cycleanine [ C38 H42 N2 O6, overall=61.61, db=61.61, CAS ID=518-94-5, KEGG ID=C17387, METLIN ID=71656 ]	518-94-5		Cycleanine	+	622.3003	3.921	61.61	C17387	(623.3075, 4993.8)(624.3104, 1950.15)(625.3179, 1045.99)	FindByMolecularFeature	C38 H42 N2 O6	1
cyclohexylammonium +4.773	cyclohexylammonium [ C6 H13 N, overall=48.57, db=48.57, CAS ID=108-91-8, KEGG ID=C00571, METLIN ID=4139 ]	108-91-8		cyclohexylammonium +4.773	+	99.1047	4.773	48.57	C00571	(100.112, 17490.03)(101.1121, 4359.42)	FindByMolecularFeature	C6 H13 N	1
cyclohexylammonium +8.543	cyclohexylammonium [ C6 H13 N, overall=47.25, db=47.25, CAS ID=108-91-8, KEGG ID=C00571, METLIN ID=4139 ]	108-91-8		cyclohexylammonium +8.543	+	99.1046	8.543	47.25	C00571	(100.1119, 5438.79)(117.1384, 7442.95)	FindByMolecularFeature	C6 H13 N	1
Cymather aldehyde methyl ester +1.436	Cymather aldehyde methyl ester [ C12 H18 O3, overall=47.28, db=47.28, METLIN ID=65405 ]			Cymather aldehyde methyl ester +1.436	+	210.1249	1.436	47.28		(211.1326, 3271.36)(228.1579, 1666.86)	FindByMolecularFeature	C12 H18 O3	1
Cynometrine	Cynometrine [ C16 H19 N3 O2, overall=48.92, db=48.92, CAS ID=50656-83-2, KEGG ID=C10587, METLIN ID=68408 ]	50656-83-2		Cynometrine	+	307.1268	2.05	48.92	C10587	(308.134, 3970.52)(309.1382, 1146.7)	FindByMolecularFeature	C16 H19 N3 O2	1
Cynometrine +2.098	Cynometrine [ C16 H19 N3 O2, overall=63.65, db=63.65, CAS ID=50656-83-2, KEGG ID=C10587, METLIN ID=68408 ]	50656-83-2		Cynometrine +2.098	+	307.127	2.098	63.65	C10587	(308.1342, 11424.56)(309.1366, 1945.81)	FindByMolecularFeature	C16 H19 N3 O2	1
Cynometrine +2.126	Cynometrine [ C16 H19 N3 O2, overall=62.04, db=62.04, CAS ID=50656-83-2, KEGG ID=C10587, METLIN ID=68408 ]	50656-83-2		Cynometrine +2.126	+	307.1268	2.126	62.04	C10587	(308.1341, 12076.15)(309.1366, 1938.99)	FindByMolecularFeature	C16 H19 N3 O2	1
Cyromazine	Cyromazine [ C6 H10 N6, overall=44.76, db=44.76, CAS ID=66215-27-8, KEGG ID=C14147, METLIN ID=69834 ]	66215-27-8		Cyromazine	+	166.0974	1.113	44.76	C14147	(167.1047, 4062.18)(350.2292, 645.63)	FindByMolecularFeature	C6 H10 N6	1
Cys Asn His	Cys Asn His [ C13 H20 N6 O5 S, overall=56.82, db=56.82, METLIN ID=20723 ]			Cys Asn His	+	372.1225	1.388	56.82		(373.1298, 2064.3)(374.1308, 965.63)	FindByMolecularFeature	C13 H20 N6 O5 S	1
D-1-Piperideine-2-carboxylic acid	D-1-Piperideine-2-carboxylic acid [ C6 H9 N O2, overall=53.09, db=53.09, CAS ID=2756-89-0, KEGG ID=C01258, METLIN ID=5992, HMP ID=HMDB01084 ]	2756-89-0		D-1-Piperideine-2-carboxylic acid	+	127.0647	6.279	53.09	C01258	(128.072, 4403.66)(129.0738, 853.64)	FindByMolecularFeature	C6 H9 N O2	1	HMDB01084
DAN-1 EE	DAN-1 EE [ C20 H20 N2 O2, overall=74.25, db=74.25, METLIN ID=64880 ]			DAN-1 EE	+	320.1509	6.528	74.25		(321.1582, 3678.77)(322.1649, 892.22)	FindByMolecularFeature	C20 H20 N2 O2	1
DAUDA	DAUDA [ C23 H34 N2 O4 S, overall=47.27, db=47.27, CAS ID=73025-02-2, METLIN ID=44899 ]	73025-02-2		DAUDA	+	434.228	1.414	47.27		(435.2353, 1433.8)(436.2267, 1133.54)	FindByMolecularFeature	C23 H34 N2 O4 S	1
D-Camphorsulfonate	D-Camphorsulfonate [ C10 H16 O4 S, overall=26.36, db=26.36, CAS ID=3144-16-9, KEGG ID=D00612, METLIN ID=2955 ]	3144-16-9		D-Camphorsulfonate	+	249.1044	6.326	26.36	D00612	(250.1117, 3895.41)(251.1249, 986.22)	FindByMolecularFeature	C10 H16 O4 S	1
Deamino-?-keto-demethylphosphinothricin	Deamino-?-keto-demethylphosphinothricin [ C4 H7 O5 P, overall=36.76, db=36.76, CAS ID=, KEGG ID=C17948, METLIN ID=63599 ]			Deamino-?-keto-demethylphosphinothricin	+	166.0056	8.525	36.76	C17948	(167.0128, 4404.46)(168.0162, 1040.99)	FindByMolecularFeature	C4 H7 O5 P	1
Debromohymenialdisine	Debromohymenialdisine [ C11 H11 N5 O2, overall=58.27, db=58.27, KEGG ID=C19897, METLIN ID=73418 ]			Debromohymenialdisine	+	262.1162	6.446	58.27	C19897	(263.1235, 2926.57)(264.1305, 731.64)	FindByMolecularFeature	C11 H11 N5 O2	1
decanamide +4.133	decanamide [ C10 H21 N O, overall=58.58, db=58.58, Lipid ID=LMFA08010005, METLIN ID=46554 ]			decanamide +4.133	+	171.1619	4.133	58.58		(172.1691, 2174.02)(173.1725, 806.73)	FindByMolecularFeature	C10 H21 N O	1		LMFA08010005
Decanoyl m-Nitroaniline	Decanoyl m-Nitroaniline [ C16 H24 N2 O3, overall=59.22, db=59.22, CAS ID=72298-61-4, METLIN ID=64925 ]	72298-61-4		Decanoyl m-Nitroaniline	+	314.158	4.575	59.22		(315.1653, 2275.95)(316.1791, 678.57)	FindByMolecularFeature	C16 H24 N2 O3	1
Dehydrojuvabione	Dehydrojuvabione [ C16 H24 O3, overall=60.25, db=60.25, CAS ID=16060-78-9, KEGG ID=C09657, METLIN ID=67865 ]	16060-78-9		Dehydrojuvabione	+	286.1533	6.928	60.25	C09657	(287.1606, 2087.15)(288.1667, 619.01)	FindByMolecularFeature	C16 H24 O3	1
Delcorine +1.282	Delcorine [ C26 H41 N O7, overall=58.69, db=58.69, CAS ID=52358-55-1, KEGG ID=C08675, METLIN ID=67110 ]	52358-55-1		Delcorine +1.282	+	479.2895	1.282	58.69	C08675	(480.2968, 2759.9)(481.3011, 1224.25)	FindByMolecularFeature	C26 H41 N O7	1
delta-Guanidinovaleric acid	delta-Guanidinovaleric acid [ C6 H13 N3 O2, overall=44.38, db=44.38, CAS ID=462-93-1, KEGG ID=C13688, METLIN ID=69638 ]	462-93-1		delta-Guanidinovaleric acid	+	159.1004	6.058	44.38	C13688	(160.1077, 8886.45)(161.1017, 1642.73)	FindByMolecularFeature	C6 H13 N3 O2	1
Deoxycytidine +7.743	Deoxycytidine [ C9 H13 N3 O4, overall=53.14, db=53.14, CAS ID=951-77-9, KEGG ID=C00881, METLIN ID=3367, HMP ID=HMDB00014 ]	951-77-9		Deoxycytidine +7.743	+	227.0909	7.743	53.14	C00881	(228.0982, 2610.55)(229.0987, 1016.97)	FindByMolecularFeature	C9 H13 N3 O4	1	HMDB00014
Desmethyldeschlorobenzoyl Indomethacin	Desmethyldeschlorobenzoyl Indomethacin [ C10 H9 N O3, overall=75.17, db=75.17, CAS ID=71982-15-5, METLIN ID=828 ]	71982-15-5		Desmethyldeschlorobenzoyl Indomethacin	+	191.0586	2.215	75.17		(192.0659, 4806.54)(193.0691, 889.36)	FindByMolecularFeature	C10 H9 N O3	1
Desmethylpirenzepine +1.578	Desmethylpirenzepine [ C18 H19 N5 O2, overall=64.05, db=64.05, CAS ID=63257-31-8, METLIN ID=1975 ]	63257-31-8		Desmethylpirenzepine +1.578	+	337.1543	1.578	64.05		(338.1616, 2867.52)(339.1604, 875.46)	FindByMolecularFeature	C18 H19 N5 O2	1
Dexnorfenfluramine	Dexnorfenfluramine [ C10 H12 F3 N, overall=69.31, db=69.31, CAS ID=19036-73-8, METLIN ID=1957 ]	19036-73-8		Dexnorfenfluramine	+	203.0914	6.97	69.31		(204.0987, 3078.19)(205.1014, 611.75)	FindByMolecularFeature	C10 H12 F3 N	1
dexpanthenol +6.741	dexpanthenol [ C9 H19 N O4, overall=46.36, db=46.36, CAS ID=81-13-0, KEGG ID=C05944, METLIN ID=3978 ]	81-13-0		dexpanthenol +6.741	+	205.1329	6.741	46.36	C05944	(228.1231, 2995.5)(206.1392, 3566.64)	FindByMolecularFeature	C9 H19 N O4	1
DG(14:1(9Z)/14:1(9Z)/0:0)	DG(14:1(9Z)/14:1(9Z)/0:0) [ C31 H56 O5, overall=72.86, db=72.86, METLIN ID=58673, HMP ID=HMDB07038 ]			DG(14:1(9Z)/14:1(9Z)/0:0)	+	525.439	3.853	72.86		(526.4462, 6689.48)(527.448, 2483.74)	FindByMolecularFeature	C31 H56 O5	1	HMDB07038
DG(16:0/22:2(13Z,16Z)/0:0)[iso2]	DG(16:0/22:2(13Z,16Z)/0:0)[iso2] [ C41 H76 O5, overall=56.45, db=56.45, Lipid ID=LMGL02010127, CAS ID=, METLIN ID=4436 ]			DG(16:0/22:2(13Z,16Z)/0:0)[iso2]	+	665.5988	3.717	56.45		(666.606, 3320.0)(667.6084, 1745.46)	FindByMolecularFeature	C41 H76 O5	1		LMGL02010127
DG(16:1(9Z)/14:1(9Z)/0:0)	DG(16:1(9Z)/14:1(9Z)/0:0) [ C33 H60 O5, overall=76.58, db=76.58, METLIN ID=58741, HMP ID=HMDB07125 ]			DG(16:1(9Z)/14:1(9Z)/0:0)	+	553.4704	3.82	76.58		(554.4776, 4200.21)(555.4809, 1452.25)	FindByMolecularFeature	C33 H60 O5	1	HMDB07125
DG(18:1(9Z)/22:1(13Z)/0:0)[iso2]	DG(18:1(9Z)/22:1(13Z)/0:0)[iso2] [ C43 H80 O5, overall=67.56, db=67.56, Lipid ID=LMGL02010169, CAS ID=, METLIN ID=4511 ]			DG(18:1(9Z)/22:1(13Z)/0:0)[iso2]	+	693.6271	3.712	67.56		(694.6343, 2044.53)(695.637, 988.76)	FindByMolecularFeature	C43 H80 O5	1		LMGL02010169
D-Glutamine +7.103	D-Glutamine [ C5 H10 N2 O3, overall=47.53, db=47.53, CAS ID=5959-95-5, KEGG ID=C00819, METLIN ID=63630 ]	5959-95-5		D-Glutamine +7.103	+	146.0697	7.103	47.53	C00819	(147.0763, 1244.53)(293.1498, 928.51)	FindByMolecularFeature	C5 H10 N2 O3	1
Diacetyl +7.476	Diacetyl [ C4 H6 O2, overall=69.59, db=69.59, CAS ID=431-03-8, KEGG ID=C00741, METLIN ID=6921, HMP ID=HMDB03407 ]	431-03-8		Diacetyl +7.476	+	86.0368	7.476	69.59	C00741	(87.0441, 15508.61)(88.0476, 2095.02)	FindByMolecularFeature	C4 H6 O2	1	HMDB03407
Dibekacin	Dibekacin [ C18 H37 N5 O8, overall=54.23, db=54.23, CAS ID=34493-98-6, METLIN ID=44334 ]	34493-98-6		Dibekacin	+	468.2891	7.504	54.23		(469.2963, 766.49)(470.2995, 852.47)	FindByMolecularFeature	C18 H37 N5 O8	1
Dibekacin +3.748	Dibekacin [ C18 H37 N5 O8, overall=76.32, db=76.32, CAS ID=34493-98-6, METLIN ID=44334 ]	34493-98-6		Dibekacin +3.748	+	468.289	3.748	76.32		(469.2963, 4909.08)(470.3, 957.52)	FindByMolecularFeature	C18 H37 N5 O8	1
Diethofencarb	Diethofencarb [ C14 H21 N O4, overall=54.82, db=54.82, CAS ID=87130-20-9, KEGG ID=C11077, METLIN ID=68820 ]	87130-20-9		Diethofencarb	+	289.1286	6.498	54.82	C11077	(290.1358, 2329.58)(291.144, 680.05)	FindByMolecularFeature	C14 H21 N O4	1
Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate +6.216	Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate [ C9 H16 O5, overall=41.00, db=41.00, KEGG ID=C04587, METLIN ID=66217 ]			Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate +6.216	+	221.1267	6.216	41	C04587	(222.134, 2171.5)(223.1407, 827.24)(224.1281, 1056.53)	FindByMolecularFeature	C9 H16 O5	1
Diethylcarbamazine N-Oxide	Diethylcarbamazine N-Oxide [ C10 H21 N3 O2, overall=62.95, db=62.95, CAS ID=34812-73-2, METLIN ID=2005 ]	34812-73-2		Diethylcarbamazine N-Oxide	+	215.1631	7.037	62.95		(216.1704, 4333.24)(217.1731, 1177.49)	FindByMolecularFeature	C10 H21 N3 O2	1
diginatigenin	diginatigenin [ C23 H34 O6, overall=47.17, db=47.17, Lipid ID=LMST01120002, METLIN ID=57772 ]			diginatigenin	+	406.2345	1.349	47.17		(407.2424, 1320.07)(813.4723, 951.01)	FindByMolecularFeature	C23 H34 O6	1		LMST01120002
Digitoxigenin	Digitoxigenin [ C23 H34 O4, overall=62.43, db=62.43, Lipid ID=LMST01120001, CAS ID=143-62-4, METLIN ID=2045 ]	143-62-4		Digitoxigenin	+	374.2456	3.254	62.43		(375.2528, 2639.66)(376.2554, 1107.65)	FindByMolecularFeature	C23 H34 O4	1		LMST01120001
Dihydro-7-Desacetyldeoxygedunin	Dihydro-7-Desacetyldeoxygedunin [ C26 H34 O5, overall=63.01, db=63.01, CAS ID=, METLIN ID=43755 ]			Dihydro-7-Desacetyldeoxygedunin	+	426.2405	1.905	63.01		(427.2478, 2564.76)(428.2502, 1131.66)	FindByMolecularFeature	C26 H34 O5	1
Dihydroanhydrorhodovibrine/ Dihydromethoxylycopene	Dihydroanhydrorhodovibrine/ Dihydromethoxylycopene [ C41 H60 O, overall=61.91, db=61.91, Lipid ID=LMPR01070138, KEGG ID=C15886, METLIN ID=41393 ]			Dihydroanhydrorhodovibrine/ Dihydromethoxylycopene	+	585.4912	1.078	61.91	C15886	(586.4984, 1625.09)(587.5038, 887.51)	FindByMolecularFeature	C41 H60 O	1		LMPR01070138
Dihydropicromycin	Dihydropicromycin [ C28 H49 N O8, overall=47.75, db=47.75, CAS ID=27656-56-0, KEGG ID=C15755, METLIN ID=71086 ]	27656-56-0		Dihydropicromycin	+	527.3476	1.347	47.75	C15755	(528.3548, 1328.07)(529.3494, 1162.98)(530.3669, 1896.0)	FindByMolecularFeature	C28 H49 N O8	1
Dihydroxymelphalan +7.351	Dihydroxymelphalan [ C13 H20 N2 O4, overall=56.20, db=56.20, CAS ID=72143-20-5, METLIN ID=1126 ]	72143-20-5		Dihydroxymelphalan +7.351	+	268.1419	7.351	56.2		(269.1492, 2516.13)(270.151, 907.04)	FindByMolecularFeature	C13 H20 N2 O4	1
Diisopropyl sulfate +1.59	Diisopropyl sulfate [ C6 H14 O4 S, overall=45.42, db=45.42, CAS ID=2973-10-6, KEGG ID=C19230, METLIN ID=72953 ]	10/6/2973		Diisopropyl sulfate +1.59	+	199.0854	1.59	45.42	C19230	(200.0926, 3808.41)(201.1027, 899.4)	FindByMolecularFeature	C6 H14 O4 S	1
Dikegulac	Dikegulac [ C12 H18 O7, overall=45.12, db=45.12, CAS ID=18467-77-1, KEGG ID=C18825, METLIN ID=72590 ]	18467-77-1		Dikegulac	+	274.106	2.267	45.12	C18825	(275.1131, 987.19)(292.1399, 2153.88)	FindByMolecularFeature	C12 H18 O7	1
DIMBOA	DIMBOA [ C9 H9 N O5, overall=27.62, db=27.62, CAS ID=15893-52-4, KEGG ID=C04720, METLIN ID=66248 ]	15893-52-4		DIMBOA	+	211.0458	6.068	27.62	C04720	(234.0355, 941.07)(212.053, 3493.66)	FindByMolecularFeature	C9 H9 N O5	1
Dimebolin +1.339	Dimebolin [ C21 H25 N3, overall=60.41, db=60.41, CAS ID=3613-73-8, METLIN ID=45332 ]	3613-73-8		Dimebolin +1.339	+	168.1154	1.339	60.41		(169.1224, 954.52)(337.2382, 1606.4)(338.2401, 661.96)	FindByMolecularFeature	C21 H25 N3	1
Dimepiperate	Dimepiperate [ C15 H21 N O S, overall=25.58, db=25.58, CAS ID=61432-55-1, KEGG ID=C14571, METLIN ID=70166 ]	61432-55-1		Dimepiperate	+	263.1372	6.695	25.58	C14571	(264.1444, 1959.9)(281.1709, 674.76)	FindByMolecularFeature	C15 H21 N O S	1
Dimetacrine	Dimetacrine [ C20 H26 N2, overall=80.95, db=80.95, CAS ID=3759-07-7, KEGG ID=C12959, METLIN ID=69516 ]	7/7/3759		Dimetacrine	+	294.2084	1.104	80.95	C12959	(295.2157, 8391.83)(296.2202, 1887.87)	FindByMolecularFeature	C20 H26 N2	1
Dimethachlor +4.159	Dimethachlor [ C13 H18 Cl N O2, overall=56.00, db=56.00, CAS ID=50563-36-5, KEGG ID=C18718, METLIN ID=72494 ]	50563-36-5		Dimethachlor +4.159	+	255.1035	4.159	56	C18718	(256.1108, 4514.71)(257.1142, 1033.01)	FindByMolecularFeature	C13 H18 Cl N O2	1
Dimethylaminoethyl reserpilinate +6.059	Dimethylaminoethyl reserpilinate [ C26 H35 N3 O5, overall=39.85, db=39.85, CAS ID=3735-84-0, KEGG ID=C13441, METLIN ID=69577 ]	3735-84-0		Dimethylaminoethyl reserpilinate +6.059	+	469.2619	6.059	39.85	C13441	(470.2669, 1184.03)(956.5624, 1016.65)(957.5656, 783.39)	FindByMolecularFeature	C26 H35 N3 O5	1
Dinoflagellate luciferin +1.464	Dinoflagellate luciferin [ C33 H40 N4 O6, overall=51.37, db=51.37, KEGG ID=C19704, METLIN ID=73308 ]			Dinoflagellate luciferin +1.464	+	294.148	1.464	51.37	C19704	(295.1548, 551.04)(589.3036, 1360.91)(590.3082, 934.18)	FindByMolecularFeature	C33 H40 N4 O6	1
Dinoflagellate luciferin +2.467	Dinoflagellate luciferin [ C33 H40 N4 O6, overall=77.44, db=77.44, KEGG ID=C19704, METLIN ID=73308 ]			Dinoflagellate luciferin +2.467	+	588.2945	2.467	77.44	C19704	(589.3018, 6529.64)(590.3054, 2133.08)(591.313, 1106.91)	FindByMolecularFeature	C33 H40 N4 O6	1
Diphenidol	Diphenidol [ C21 H27 N O, overall=60.06, db=60.06, CAS ID=972-02-1, KEGG ID=C06961, METLIN ID=66565 ]	972-02-1		Diphenidol	+	331.1909	1.471	60.06	C06961	(332.1982, 3568.14)(333.2032, 1452.3)	FindByMolecularFeature	C21 H27 N O	1
Disinomenine	Disinomenine [ C38 H44 N2 O8, overall=42.63, db=42.63, KEGG ID=C16954, METLIN ID=71457 ]			Disinomenine	+	656.3072	2.778	42.63	C16954	(679.2971, 1464.01)(657.3128, 895.27)	FindByMolecularFeature	C38 H44 N2 O8	1
Dithiopyr	Dithiopyr [ C15 H16 F5 N O2 S2, overall=55.43, db=55.43, CAS ID=97886-45-8, KEGG ID=C18826, METLIN ID=72591 ]	97886-45-8		Dithiopyr	+	418.0794	0.722	55.43	C18826	(419.0867, 2480.02)(420.0897, 918.77)	FindByMolecularFeature	C15 H16 F5 N O2 S2	1
Divinylchlorophyll a	Divinylchlorophyll a [ C55 H70 Mg N4 O5, overall=73.46, db=73.46, CAS ID=, KEGG ID=C11850, METLIN ID=63919 ]			Divinylchlorophyll a	+	907.5446	1.787	73.46	C11850	(908.5519, 6348.42)(909.5558, 3688.15)(910.5578, 1160.86)	FindByMolecularFeature	C55 H70 Mg N4 O5	1
DL-Cycloserine	DL-Cycloserine [ C3 H6 N2 O2, overall=47.62, db=47.62, CAS ID=68-39-3, KEGG ID=C06682, METLIN ID=66492 ]	68-39-3		DL-Cycloserine	+	102.0429	6.617	47.62	C06682	(125.0319, 671.46)(103.0502, 1877.53)	FindByMolecularFeature	C3 H6 N2 O2	1
DL-Methionine sulfoxide	DL-Methionine sulfoxide [ C5 H11 N O3 S, overall=67.10, db=67.10, CAS ID=62697-73-8, KEGG ID=, METLIN ID=6428, HMP ID=HMDB02005 ]	62697-73-8		DL-Methionine sulfoxide	+	165.0462	7.643	67.1		(166.0535, 6477.34)(167.0563, 971.8)	FindByMolecularFeature	C5 H11 N O3 S	1	HMDB02005
DMXB-A	DMXB-A [ C19 H20 N2 O2, overall=47.21, db=47.21, KEGG ID=C19905, METLIN ID=73425 ]			DMXB-A	+	308.1527	8.053	47.21	C19905	(309.1601, 2540.89)(617.3112, 1074.15)	FindByMolecularFeature	C19 H20 N2 O2	1
D-Mycinose	D-Mycinose [ C8 H16 O5, overall=38.65, db=38.65, KEGG ID=C11913, METLIN ID=69246 ]			D-Mycinose	+	192.1012	5.694	38.65	C11913	(215.0904, 1611.47)(193.1086, 1031.29)	FindByMolecularFeature	C8 H16 O5	1
D-Mycinose +1.374	D-Mycinose [ C8 H16 O5, overall=34.43, db=34.43, KEGG ID=C11913, METLIN ID=69246 ]			D-Mycinose +1.374	+	209.1264	1.374	34.43	C11913	(210.1337, 2631.3)(211.1333, 569.27)(212.131, 991.66)	FindByMolecularFeature	C8 H16 O5	1
dolichyl D-xylosyl phosphates	dolichyl D-xylosyl phosphates [ C30 H53 O8 P, overall=56.75, db=56.75, Lipid ID=LMPR03080011, KEGG ID=C01191, METLIN ID=53859 ]			dolichyl D-xylosyl phosphates	+	572.3518	3.29	56.75	C01191	(573.3591, 5707.51)(574.3609, 1949.35)	FindByMolecularFeature	C30 H53 O8 P	1		LMPR03080011
Dopamine quinone	Dopamine quinone [ C8 H9 N O2, overall=57.04, db=57.04, CAS ID=50673-96-6, KEGG ID=C17755, METLIN ID=64470 ]	50673-96-6		Dopamine quinone	+	151.0634	7.89	57.04	C17755	(152.0706, 2592.26)(153.0725, 730.3)	FindByMolecularFeature	C8 H9 N O2	1
DPPP	DPPP [ C28 H19 P, overall=64.83, db=64.83, CAS ID=110231-30-6, METLIN ID=64850 ]	110231-30-6		DPPP	+	403.1503	2.913	64.83		(404.1575, 2907.88)(405.1645, 848.99)	FindByMolecularFeature	C28 H19 P	1
D-Thevetose	D-Thevetose [ C7 H14 O5, overall=21.79, db=21.79, KEGG ID=C16287, METLIN ID=71174 ]			D-Thevetose	+	178.0862	1.274	21.79	C16287	(179.0926, 4537.19)(196.1206, 5033.89)	FindByMolecularFeature	C7 H14 O5	1
Elaidic carnitine	Elaidic carnitine [ C25 H48 N O4, overall=47.53, db=47.53, METLIN ID=58415, HMP ID=HMDB06464 ]			Elaidic carnitine	+	408.3234	1.065	47.53		(409.3296, 1455.54)(426.3576, 3842.12)	FindByMolecularFeature	C25 H48 N O4	1	HMDB06464
Elastin	Elastin [ C27 H48 N6 O6, overall=48.25, db=48.25, CAS ID=9007-58-3, KEGG ID=C00373, METLIN ID=65514 ]	9007-58-3		Elastin	+	552.3668	1.369	48.25	C00373	(553.3741, 1553.79)(554.3741, 813.75)	FindByMolecularFeature	C27 H48 N6 O6	1
emedastine +1.226	emedastine [ C17 H26 N4 O, overall=61.22, db=61.22, CAS ID=, KEGG ID=C07785, METLIN ID=4008 ]			emedastine +1.226	+	319.2369	1.226	61.22	C07785	(320.2442, 2911.3)(321.2473, 1183.65)	FindByMolecularFeature	C17 H26 N4 O	1
Endothal	Endothal [ C8 H10 O5, overall=29.57, db=29.57, CAS ID=129-67-9, KEGG ID=C18724, METLIN ID=72500 ]	129-67-9		Endothal	+	186.0511	6.066	29.57	C18724	(187.058, 3512.14)(390.1376, 1235.09)	FindByMolecularFeature	C8 H10 O5	1
ent-Corey PG-Lactone Diol +1.283	ent-Corey PG-Lactone Diol [ C15 H24 O4, overall=21.04, db=21.04, METLIN ID=64780 ]			ent-Corey PG-Lactone Diol +1.283	+	268.1695	1.283	21.04		(269.1779, 2180.52)(286.2023, 1876.08)	FindByMolecularFeature	C15 H24 O4	1
EPA	EPA [ C10 H13 N O, overall=58.63, db=58.63, CAS ID=5465-00-9, KEGG ID=C11487, METLIN ID=69063 ]	5465-00-9		EPA	+	185.0808	1.934	58.63	C11487	(186.0881, 3493.76)(187.0999, 1037.67)(188.093, 802.98)	FindByMolecularFeature	C10 H13 N O	1
Ergoline-1,8-dimethanol, 10-methoxy-6-methyl-, (8b)-	Ergoline-1,8-dimethanol, 10-methoxy-6-methyl-, (8b)- [ C18 H24 N2 O3, overall=60.43, db=60.43, CAS ID=105115-80-8, METLIN ID=1513 ]	105115-80-8		Ergoline-1,8-dimethanol, 10-methoxy-6-methyl-, (8b)-	+	316.1809	1.367	60.43		(317.1881, 1903.3)(318.1903, 705.71)(319.1935, 1606.62)	FindByMolecularFeature	C18 H24 N2 O3	1
Ergoline-8-methanol, 10-methoxy-6-methyl-, (8b)-	Ergoline-8-methanol, 10-methoxy-6-methyl-, (8b)- [ C17 H22 N2 O2, overall=67.57, db=67.57, CAS ID=35121-60-9, METLIN ID=1518 ]	35121-60-9		Ergoline-8-methanol, 10-methoxy-6-methyl-, (8b)-	+	308.1502	8.515	67.57		(309.1575, 17733.69)(310.1594, 1625.17)	FindByMolecularFeature	C17 H22 N2 O2	1
ergosta-3beta,5alpha,6beta,25-tetrol	ergosta-3beta,5alpha,6beta,25-tetrol [ C28 H50 O4, overall=70.05, db=70.05, Lipid ID=LMST01031061, METLIN ID=84011 ]			ergosta-3beta,5alpha,6beta,25-tetrol	+	467.3964	1.056	70.05		(468.4037, 2292.32)(469.4059, 844.75)	FindByMolecularFeature	C28 H50 O4	1		LMST01031061
Erysonine	Erysonine [ C17 H19 N O3, overall=72.14, db=72.14, CAS ID=7290-05-3, KEGG ID=C09422, METLIN ID=67682 ]	5/3/7290		Erysonine	+	302.1627	6.469	72.14	C09422	(303.17, 2794.0)(304.1746, 769.65)	FindByMolecularFeature	C17 H19 N O3	1
Ethambutol aldehyde +6.626	Ethambutol aldehyde [ C10 H20 N2 O2, overall=49.83, db=49.83, CAS ID=502-25-0, METLIN ID=2588 ]	502-25-0		Ethambutol aldehyde +6.626	+	222.137	6.626	49.83		(223.1443, 3437.77)(224.1385, 1593.11)	FindByMolecularFeature	C10 H20 N2 O2	1
Ethiolate	Ethiolate [ C7 H15 N O S, overall=52.14, db=52.14, CAS ID=2941-55-1, KEGG ID=C19095, METLIN ID=72837 ]	2941-55-1		Ethiolate	+	178.1136	1.372	52.14	C19095	(179.1209, 3801.1)(180.1306, 753.31)	FindByMolecularFeature	C7 H15 N O S	1
Ethopropazine	Ethopropazine [ C19 H24 N2 S, overall=45.99, db=45.99, CAS ID=1094-08-2, KEGG ID=D03276, METLIN ID=44158 ]	1094-08-2		Ethopropazine	+	312.1685	6.654	45.99	D03276	(313.1758, 2250.82)(314.1765, 887.44)	FindByMolecularFeature	C19 H24 N2 S	1
Ethyl 3-(N-butylacetamido)propionate +1.529	Ethyl 3-(N-butylacetamido)propionate [ C11 H21 N O3, overall=72.61, db=72.61, CAS ID=52304-36-6, KEGG ID=C18830, METLIN ID=72595 ]	52304-36-6		Ethyl 3-(N-butylacetamido)propionate +1.529	+	232.1789	1.529	72.61	C18830	(233.1862, 3306.96)(234.1901, 692.28)	FindByMolecularFeature	C11 H21 N O3	1
Ethyl isobutyl ketone +1.161	Ethyl isobutyl ketone [ C7 H14 O, overall=46.31, db=46.31, CAS ID=623-56-3, METLIN ID=58329, HMP ID=HMDB05841 ]	623-56-3		Ethyl isobutyl ketone +1.161	+	114.1036	1.161	46.31		(137.0908, 796.22)(115.1113, 3590.33)	FindByMolecularFeature	C7 H14 O	1	HMDB05841
Ethyl syringate +2.899	Ethyl syringate [ C11 H14 O5, overall=66.20, db=66.20, CAS ID=3943-80-4, METLIN ID=84963 ]	3943-80-4		Ethyl syringate +2.899	+	243.1111	2.899	66.2		(244.1184, 3387.92)(245.1228, 760.17)	FindByMolecularFeature	C11 H14 O5	1
Ethyl-imidazole carboxylate +7.343	Ethyl-imidazole carboxylate [ C6 H8 N2 O2, overall=73.76, db=73.76, CAS ID=23785-21-9, METLIN ID=2646 ]	23785-21-9		Ethyl-imidazole carboxylate +7.343	+	140.0585	7.343	73.76		(141.0658, 9379.76)(142.0745, 973.0)	FindByMolecularFeature	C6 H8 N2 O2	1
Evadol +1.311	Evadol [ C16 H19 N O3, overall=64.89, db=64.89, CAS ID=5934-19-0, KEGG ID=C15360, METLIN ID=70832 ]	5934-19-0		Evadol +1.311	+	273.1372	1.311	64.89	C15360	(274.1445, 3965.54)(275.1481, 1201.56)	FindByMolecularFeature	C16 H19 N O3	1
Evasterioside C +3.553	Evasterioside C [ C31 H52 O12 S, overall=54.00, db=54.00, Lipid ID=LMST05050008, METLIN ID=84928 ]			Evasterioside C +3.553	+	648.3154	3.553	54		(649.3227, 8733.71)(650.3261, 3788.61)	FindByMolecularFeature	C31 H52 O12 S	1		LMST05050008
Fabianine	Fabianine [ C14 H21 N O, overall=76.90, db=76.90, CAS ID=6871-51-8, KEGG ID=C09949, METLIN ID=68036 ]	6871-51-8		Fabianine	+	219.1611	4.541	76.9	C09949	(242.1502, 5317.25)(243.1528, 704.44)(220.169, 1053.7)	FindByMolecularFeature	C14 H21 N O	1
Fagomine +4.182	Fagomine [ C6 H13 N O3, overall=71.63, db=71.63, CAS ID=53185-12-9, KEGG ID=C10144, METLIN ID=68150 ]	53185-12-9		Fagomine +4.182	+	147.0894	4.182	71.63	C10144	(148.0967, 5503.07)(149.1026, 669.48)	FindByMolecularFeature	C6 H13 N O3	1
Fagomine +6.134	Fagomine [ C6 H13 N O3, overall=84.13, db=84.13, CAS ID=53185-12-9, KEGG ID=C10144, METLIN ID=68150 ]	53185-12-9		Fagomine +6.134	+	147.0892	6.134	84.13	C10144	(148.0965, 7605.36)(149.0997, 321.63)	FindByMolecularFeature	C6 H13 N O3	1
Fagomine +6.806	Fagomine [ C6 H13 N O3, overall=62.75, db=62.75, CAS ID=53185-12-9, KEGG ID=C10144, METLIN ID=68150 ]	53185-12-9		Fagomine +6.806	+	147.0891	6.806	62.75	C10144	(148.0964, 5005.15)(149.1037, 767.32)	FindByMolecularFeature	C6 H13 N O3	1
Fampridine	Fampridine [ C5 H6 N2, overall=72.54, db=72.54, CAS ID=504-24-5, KEGG ID=C13728, METLIN ID=43478 ]	504-24-5		Fampridine	+	94.053	6.274	72.54	C13728	(95.0603, 6126.03)(96.0603, 648.35)	FindByMolecularFeature	C5 H6 N2	1
Farfugin A +4.456	Farfugin A [ C15 H18 O, overall=49.58, db=49.58, METLIN ID=53416 ]			Farfugin A +4.456	+	214.137	4.456	49.58		(215.1443, 3711.69)(216.1498, 1074.51)	FindByMolecularFeature	C15 H18 O	1
Farnesyl Thiosalicylic Acid	Farnesyl Thiosalicylic Acid [ C22 H30 O2 S, overall=60.03, db=60.03, CAS ID=162520-00-5, METLIN ID=45270 ]	162520-00-5		Farnesyl Thiosalicylic Acid	+	375.2247	1.563	60.03		(376.232, 1834.48)(377.23, 755.25)(378.2302, 1770.68)	FindByMolecularFeature	C22 H30 O2 S	1
Fenothiocarb sulfoxide	Fenothiocarb sulfoxide [ C13 H19 N O3 S, overall=48.15, db=48.15, CAS ID=103614-75-1, KEGG ID=C11085, METLIN ID=68827 ]	103614-75-1		Fenothiocarb sulfoxide	+	286.1379	1.252	48.15	C11085	(287.1452, 4054.84)(288.1415, 1098.99)	FindByMolecularFeature	C13 H19 N O3 S	1
Fenuron +4.74	Fenuron [ C9 H12 N2 O, overall=64.13, db=64.13, CAS ID=101-42-8, KEGG ID=C11224, METLIN ID=68925 ]	101-42-8		Fenuron +4.74	+	181.1192	4.74	64.13	C11224	(182.1265, 9739.64)(183.1351, 1306.89)	FindByMolecularFeature	C9 H12 N2 O	1
Ferimzone +1.181	Ferimzone [ C15 H18 N4, overall=32.36, db=32.36, CAS ID=89269-64-7, KEGG ID=C18579, METLIN ID=72381 ]	89269-64-7		Ferimzone +1.181	+	254.154	1.181	32.36	C18579	(255.1601, 1847.79)(272.1891, 1917.89)(509.3164, 941.12)	FindByMolecularFeature	C15 H18 N4	1
Fibrin +6.254	Fibrin [ C5 H11 N3 O2, overall=45.48, db=45.48, CAS ID=9001-31-4, KEGG ID=C00290, METLIN ID=65513 ]	9001-31-4		Fibrin +6.254	+	145.0855	6.254	45.48	C00290	(146.0918, 3831.43)(163.1218, 941.0)	FindByMolecularFeature	C5 H11 N3 O2	1
flumethasone pivalate +1.112	flumethasone pivalate [ C27 H36 F2 O6, overall=41.34, db=41.34, CAS ID=2002-29-1, METLIN ID=4030 ]	2002-29-1		flumethasone pivalate +1.112	+	494.2479	1.112	41.34		(495.2552, 1572.02)(496.2653, 852.8)	FindByMolecularFeature	C27 H36 F2 O6	1
Flupenthixol sulfoxide	Flupenthixol sulfoxide [ C23 H26 F3 N3 O2 S, overall=65.74, db=65.74, CAS ID=, METLIN ID=2775 ]			Flupenthixol sulfoxide	+	465.1681	4.02	65.74		(466.1754, 3350.68)(467.1814, 803.4)	FindByMolecularFeature	C23 H26 F3 N3 O2 S	1
Flupenthixol-O-glucuronide	Flupenthixol-O-glucuronide [ C29 H34 F3 N3 O7 S, overall=46.26, db=46.26, CAS ID=, METLIN ID=2773 ]			Flupenthixol-O-glucuronide	+	625.2106	1.021	46.26		(626.2179, 10160.72)(627.2179, 6044.47)	FindByMolecularFeature	C29 H34 F3 N3 O7 S	1
Fluridone	Fluridone [ C19 H14 F3 N O, overall=23.54, db=23.54, CAS ID=59756-60-4, KEGG ID=C18857, METLIN ID=72619 ]	59756-60-4		Fluridone	+	329.1054	6.054	23.54	C18857	(330.1151, 917.14)(659.216, 1672.19)	FindByMolecularFeature	C19 H14 F3 N O	1
Flutolanil +1.998	Flutolanil [ C17 H16 F3 N O2, overall=47.61, db=47.61, CAS ID=66332-96-5, KEGG ID=C18502, METLIN ID=72308 ]	66332-96-5		Flutolanil +1.998	+	170.0695	1.998	47.61	C18502	(171.0752, 642.34)(341.1471, 1686.55)	FindByMolecularFeature	C17 H16 F3 N O2	1
Flutolanil +2.002	Flutolanil [ C17 H16 F3 N O2, overall=80.56, db=80.56, CAS ID=66332-96-5, KEGG ID=C18502, METLIN ID=72308 ]	66332-96-5		Flutolanil +2.002	+	340.1405	2.002	80.56	C18502	(341.1477, 9510.52)(342.1514, 2230.8)	FindByMolecularFeature	C17 H16 F3 N O2	1
Flutriafol	Flutriafol [ C16 H13 F2 N3 O, overall=76.04, db=76.04, CAS ID=76674-21-0, KEGG ID=C18734, METLIN ID=72509 ]	76674-21-0		Flutriafol	+	318.1299	3.028	76.04	C18734	(319.1372, 3214.7)(320.141, 794.21)	FindByMolecularFeature	C16 H13 F2 N3 O	1
Flutriafol +2.379	Flutriafol [ C16 H13 F2 N3 O, overall=70.40, db=70.40, CAS ID=76674-21-0, KEGG ID=C18734, METLIN ID=72509 ]	76674-21-0		Flutriafol +2.379	+	318.1295	2.379	70.4	C18734	(319.1368, 3418.73)(320.1375, 923.79)	FindByMolecularFeature	C16 H13 F2 N3 O	1
Fructoselysine	Fructoselysine [ C12 H24 N2 O7, overall=43.83, db=43.83, KEGG ID=C16488, METLIN ID=71227 ]			Fructoselysine	+	308.1605	1.724	43.83	C16488	(331.1529, 904.14)(309.1667, 5274.6)(326.1976, 1684.01)	FindByMolecularFeature	C12 H24 N2 O7	1
FTY720 phenoxy-biotin	FTY720 phenoxy-biotin [ C27 H44 N4 O5 S, overall=36.67, db=36.67, METLIN ID=64810 ]			FTY720 phenoxy-biotin	+	553.3255	6.642	36.67		(554.3327, 1555.33)(555.3524, 1183.58)	FindByMolecularFeature	C27 H44 N4 O5 S	1
Fuberidazole	Fuberidazole [ C11 H8 N2 O, overall=54.99, db=54.99, CAS ID=3878-19-1, KEGG ID=C18737, METLIN ID=72512 ]	3878-19-1		Fuberidazole	+	184.0624	2.387	54.99	C18737	(185.0697, 5573.37)(186.0802, 1464.47)	FindByMolecularFeature	C11 H8 N2 O	1
Fulvine	Fulvine [ C16 H23 N O5, overall=60.78, db=60.78, CAS ID=6029-87-4, KEGG ID=C10304, METLIN ID=68233 ]	6029-87-4		Fulvine	+	326.1844	6.828	60.78	C10304	(327.1917, 2425.73)(328.1951, 929.47)	FindByMolecularFeature	C16 H23 N O5	1
Furafylline +2.663	Furafylline [ C12 H12 N4 O3, overall=56.40, db=56.40, CAS ID=80288-49-9, METLIN ID=24065 ]	80288-49-9		Furafylline +2.663	+	260.088	2.663	56.4		(261.0952, 4526.42)(262.0995, 860.36)	FindByMolecularFeature	C12 H12 N4 O3	1
Furan	Furan [ C4 H4 O, overall=47.45, db=47.45, CAS ID=110-00-9, KEGG ID=C14275, METLIN ID=69932 ]	110-00-9		Furan	+	68.026	6.701	47.45	C14275	(69.0333, 1886.31)(86.0599, 8695.69)	FindByMolecularFeature	C4 H4 O	1
Furanodienone +2.095	Furanodienone [ C15 H18 O2, overall=58.55, db=58.55, CAS ID=24268-41-5, KEGG ID=C16960, METLIN ID=71463 ]	24268-41-5		Furanodienone +2.095	+	252.112	2.095	58.55	C16960	(253.1193, 4157.36)(254.1224, 1559.16)	FindByMolecularFeature	C15 H18 O2	1
Furfural +2.294	Furfural [ C5 H4 O2, overall=75.15, db=75.15, CAS ID=98-01-1, KEGG ID=C14279, METLIN ID=69936 ]	98-01-1		Furfural +2.294	+	96.0214	2.294	75.15	C14279	(97.0287, 8315.37)(98.0311, 939.54)	FindByMolecularFeature	C5 H4 O2	1
Furfural diethyl acetal	Furfural diethyl acetal [ C9 H14 O3, overall=55.71, db=55.71, CAS ID=13529-27-6, KEGG ID=C14280, METLIN ID=69937 ]	13529-27-6		Furfural diethyl acetal	+	170.0946	1.705	55.71	C14280	(171.1018, 4030.55)(172.0967, 761.51)	FindByMolecularFeature	C9 H14 O3	1
Fursultiamine	Fursultiamine [ C17 H26 N4 O3 S2, overall=34.02, db=34.02, CAS ID=2105-43-3, KEGG ID=C18376, METLIN ID=72188 ]	2105-43-3		Fursultiamine	+	210.0622	6.063	34.02	C18376	(211.0697, 1293.6)(421.1314, 2626.96)	FindByMolecularFeature	C17 H26 N4 O3 S2	1
Fusicoccin A	Fusicoccin A [ C36 H58 O12, overall=95.22, db=95.22, METLIN ID=53693 ]			Fusicoccin A	+	699.4191	2.161	95.22		(700.4264, 6468.81)(701.4292, 2943.04)(702.4326, 864.65)	FindByMolecularFeature	C36 H58 O12	1
Fusicoccin A +2.347	Fusicoccin A [ C36 H58 O12, overall=66.10, db=66.10, METLIN ID=53693 ]			Fusicoccin A +2.347	+	699.4197	2.347	66.1		(700.4269, 2118.09)(701.4302, 1006.45)	FindByMolecularFeature	C36 H58 O12	1
Fusicoccin H +2.313	Fusicoccin H [ C26 H42 O8, overall=78.07, db=78.07, CAS ID=50906-51-9, KEGG ID=C09093, METLIN ID=67422 ]	50906-51-9		Fusicoccin H +2.313	+	499.3137	2.313	78.07	C09093	(500.321, 7046.43)(501.3242, 1793.39)	FindByMolecularFeature	C26 H42 O8	1
GA +3.034	GA [ C17 H19 N3 O2, overall=58.97, db=58.97, KEGG ID=C11484, METLIN ID=69060 ]			GA +3.034	+	297.1464	3.034	58.97	C11484	(298.1537, 1815.57)(299.1573, 646.98)	FindByMolecularFeature	C17 H19 N3 O2	1
Gabaculine +6.226	Gabaculine [ C7 H9 N O2, overall=45.34, db=45.34, CAS ID=87980-11-8, KEGG ID=C12110, METLIN ID=69310 ]	87980-11-8		Gabaculine +6.226	+	161.0427	6.226	45.34	C12110	(162.05, 3112.21)(163.0602, 919.46)	FindByMolecularFeature	C7 H9 N O2	1
Gabaculine +6.532	Gabaculine [ C7 H9 N O2, overall=31.22, db=31.22, CAS ID=87980-11-8, KEGG ID=C12110, METLIN ID=69310 ]	87980-11-8		Gabaculine +6.532	+	139.0614	6.532	31.22	C12110	(162.0501, 1628.95)(140.0688, 3130.64)	FindByMolecularFeature	C7 H9 N O2	1
Gabapentin +1.558	Gabapentin [ C9 H17 N O2, overall=58.95, db=58.95, CAS ID=60142-96-3, KEGG ID=C07018, METLIN ID=2989, HMP ID=HMDB05015 ]	60142-96-3		Gabapentin +1.558	+	171.1268	1.558	58.95	C07018	(172.1341, 4170.71)(173.1341, 883.03)	FindByMolecularFeature	C9 H17 N O2	1	HMDB05015
Gabapentin +1.61	Gabapentin [ C9 H17 N O2, overall=66.56, db=66.56, CAS ID=60142-96-3, KEGG ID=C07018, METLIN ID=2989, HMP ID=HMDB05015 ]	60142-96-3		Gabapentin +1.61	+	171.1259	1.61	66.56	C07018	(172.1332, 4347.03)(173.135, 869.72)	FindByMolecularFeature	C9 H17 N O2	1	HMDB05015
Galanthamine	Galanthamine [ C17 H21 N O3, overall=45.22, db=45.22, CAS ID=357-70-0, KEGG ID=C08526, METLIN ID=43505 ]	357-70-0		Galanthamine	+	287.1512	8.41	45.22	C08526	(288.1586, 6949.23)(575.3083, 1421.65)	FindByMolecularFeature	C17 H21 N O3	1
Gentamicin C1a +3.736	Gentamicin C1a [ C19 H39 N5 O7, overall=81.87, db=81.87, CAS ID=26098-04-4, KEGG ID=C00908, METLIN ID=3051 ]	26098-04-4		Gentamicin C1a +3.736	+	471.2671	3.736	81.87	C00908	(472.2744, 2331.14)(473.2782, 555.49)	FindByMolecularFeature	C19 H39 N5 O7	1
gibberellin A17	gibberellin A17 [ C20 H26 O7, overall=46.84, db=46.84, METLIN ID=53647 ]			gibberellin A17	+	378.1675	2.086	46.84		(379.1746, 2642.6)(396.2019, 826.72)	FindByMolecularFeature	C20 H26 O7	1
Girgensonine	Girgensonine [ C13 H16 N2 O, overall=49.97, db=49.97, CAS ID=486-30-6, KEGG ID=C10148, METLIN ID=68154 ]	486-30-6		Girgensonine	+	238.1063	1.419	49.97	C10148	(239.1136, 2563.29)(240.1219, 1626.69)	FindByMolecularFeature	C13 H16 N2 O	1
Glabric acid	Glabric acid [ C30 H46 O5, overall=35.16, db=35.16, KEGG ID=C17764, METLIN ID=71889 ]			Glabric acid	+	486.332	1.345	35.16	C17764	(509.3214, 1111.18)(487.3392, 1154.6)	FindByMolecularFeature	C30 H46 O5	1
Gln Trp Ser	Gln Trp Ser [ C19 H25 N5 O6, overall=33.13, db=33.13, METLIN ID=18850 ]			Gln Trp Ser	+	419.1839	3.811	33.13		(420.1912, 2765.47)(421.1962, 1059.92)	FindByMolecularFeature	C19 H25 N5 O6	1
Gln Trp Val	Gln Trp Val [ C21 H29 N5 O5, overall=49.26, db=49.26, METLIN ID=17959 ]			Gln Trp Val	+	448.2454	1.271	49.26		(449.2526, 3083.22)(450.2487, 1835.79)	FindByMolecularFeature	C21 H29 N5 O5	1
Gly Ile Ala +7.887	Gly Ile Ala [ C11 H21 N3 O4, overall=69.08, db=69.08, METLIN ID=20118 ]			Gly Ile Ala +7.887	+	259.1531	7.887	69.08		(260.1604, 3336.16)(261.1613, 706.15)	FindByMolecularFeature	C11 H21 N3 O4	1
Gly Leu Leu +6.274	Gly Leu Leu [ C14 H27 N3 O4, overall=47.62, db=47.62, METLIN ID=17793 ]			Gly Leu Leu +6.274	+	301.2003	6.274	47.62		(324.1901, 1071.39)(302.2074, 1760.64)	FindByMolecularFeature	C14 H27 N3 O4	1
Gly Met Trp	Gly Met Trp [ C18 H24 N4 O4 S, overall=60.25, db=60.25, METLIN ID=23325 ]			Gly Met Trp	+	392.1529	1.291	60.25		(393.1601, 2226.37)(394.1631, 779.26)	FindByMolecularFeature	C18 H24 N4 O4 S	1
Gly Phe +2.118	Gly Phe [ C11 H14 N2 O3, overall=36.15, db=36.15, METLIN ID=23966 ]			Gly Phe +2.118	+	222.101	2.118	36.15		(223.1083, 6063.66)(224.1022, 1128.93)(225.0976, 891.8)	FindByMolecularFeature	C11 H14 N2 O3	1
Gly Phe +7.552	Gly Phe [ C11 H14 N2 O3, overall=50.25, db=50.25, METLIN ID=23966 ]			Gly Phe +7.552	+	239.1281	7.552	50.25		(240.1354, 4561.59)(241.1339, 1913.1)	FindByMolecularFeature	C11 H14 N2 O3	1
Gly Phe Val	Gly Phe Val [ C16 H23 N3 O4, overall=58.64, db=58.64, METLIN ID=22996 ]			Gly Phe Val	+	321.1691	7.878	58.64		(322.1764, 2809.78)(323.1802, 1196.76)	FindByMolecularFeature	C16 H23 N3 O4	1
Gly Val Met	Gly Val Met [ C12 H23 N3 O4 S, overall=56.45, db=56.45, METLIN ID=19402 ]			Gly Val Met	+	327.1248	5.905	56.45		(328.1321, 3509.35)(329.1355, 769.23)	FindByMolecularFeature	C12 H23 N3 O4 S	1
Glycidyl oleate	Glycidyl oleate [ C21 H38 O3, overall=58.07, db=58.07, CAS ID=5431-33-4, KEGG ID=C19426, METLIN ID=73127 ]	5431-33-4		Glycidyl oleate	+	338.2816	1.068	58.07	C19426	(339.2885, 4234.97)(340.291, 1726.21)(356.3159, 3891.86)(357.3165, 1841.75)	FindByMolecularFeature	C21 H38 O3	1
Gossypetin 8-glucuronide +2.764	Gossypetin 8-glucuronide [ C21 H18 O14, overall=75.52, db=75.52, Lipid ID=LMPK12113199, METLIN ID=51611 ]			Gossypetin 8-glucuronide +2.764	+	494.0689	2.764	75.52		(495.0762, 4951.26)(496.0779, 1026.22)	FindByMolecularFeature	C21 H18 O14	1		LMPK12113199
Granisetron metabolite 1	Granisetron metabolite 1 [ C18 H24 N4 O3, overall=77.43, db=77.43, CAS ID=, METLIN ID=3143 ]			Granisetron metabolite 1	+	361.2097	1.082	77.43		(362.217, 3769.92)(363.2213, 773.28)	FindByMolecularFeature	C18 H24 N4 O3	1
Graphinone	Graphinone [ C16 H24 O5, overall=43.98, db=43.98, CAS ID=19683-98-8, KEGG ID=C09674, METLIN ID=67878 ]	19683-98-8		Graphinone	+	296.163	1.478	43.98	C09674	(615.315, 7187.12)(297.1707, 1288.23)	FindByMolecularFeature	C16 H24 O5	1
Guanethidine	Guanethidine [ C10 H22 N4, overall=33.01, db=33.01, CAS ID=55-65-2, KEGG ID=C07036, METLIN ID=515 ]	55-65-2		Guanethidine	+	198.1848	1.139	33.01	C07036	(199.1921, 6671.42)(200.2006, 2745.23)	FindByMolecularFeature	C10 H22 N4	1
Halaminol A +1.181	Halaminol A [ C14 H29 N O, overall=67.12, db=67.12, Lipid ID=LMSP01080034, METLIN ID=53934 ]			Halaminol A +1.181	+	227.2249	1.181	67.12		(228.2322, 3250.14)(229.234, 848.27)	FindByMolecularFeature	C14 H29 N O	1		LMSP01080034
Harmaline	Harmaline [ C13 H14 N2 O, overall=48.67, db=48.67, CAS ID=304-21-2, KEGG ID=C06536, METLIN ID=3350 ]	304-21-2		Harmaline	+	236.0915	2.541	48.67	C06536	(237.0988, 1958.58)(238.1069, 915.96)	FindByMolecularFeature	C13 H14 N2 O	1
Harzianopyridone +7.031	Harzianopyridone [ C14 H19 N O5, overall=60.11, db=60.11, CAS ID=126637-69-2, KEGG ID=C10150, METLIN ID=68155 ]	126637-69-2		Harzianopyridone +7.031	+	281.1269	7.031	60.11	C10150	(282.1341, 2971.61)(283.1403, 752.14)	FindByMolecularFeature	C14 H19 N O5	1
HC Red No. 3	HC Red No. 3 [ C8 H11 N3 O3, overall=84.07, db=84.07, CAS ID=2871-01-4, KEGG ID=C19430, METLIN ID=73130 ]	1/4/2871		HC Red No. 3	+	197.08	7.484	84.07	C19430	(198.0873, 6396.27)(199.0896, 839.77)	FindByMolecularFeature	C8 H11 N3 O3	1
Hecogenin Acetate +1.846	Hecogenin Acetate [ C29 H44 O5, overall=62.82, db=62.82, CAS ID=915-35-5, METLIN ID=43700 ]	915-35-5		Hecogenin Acetate +1.846	+	489.3455	1.846	62.82		(490.3528, 3061.04)(491.3574, 1442.94)	FindByMolecularFeature	C29 H44 O5	1
Heritonin	Heritonin [ C16 H18 O3, overall=64.24, db=64.24, CAS ID=123914-48-7, KEGG ID=C09936, METLIN ID=68025 ]	123914-48-7		Heritonin	+	258.1272	7.812	64.24	C09936	(259.1345, 2954.98)(260.1337, 742.7)	FindByMolecularFeature	C16 H18 O3	1
Hexanoylglycine +1.318	Hexanoylglycine [ C8 H15 N O3, overall=64.05, db=64.05, CAS ID=24003-67-6, METLIN ID=5669, HMP ID=HMDB00701 ]	24003-67-6		Hexanoylglycine +1.318	+	173.1058	1.318	64.05		(174.1131, 4406.37)(175.1111, 757.5)	FindByMolecularFeature	C8 H15 N O3	1	HMDB00701
Hexazinone	Hexazinone [ C12 H20 N4 O2, overall=39.74, db=39.74, CAS ID=51235-04-2, KEGG ID=C10926, METLIN ID=68694 ]	51235-04-2		Hexazinone	+	252.1576	1.758	39.74	C10926	(253.166, 883.0)(270.191, 1935.87)	FindByMolecularFeature	C12 H20 N4 O2	1
Hinokitiol glucoside	Hinokitiol glucoside [ C16 H22 O7, overall=66.68, db=66.68, KEGG ID=C15451, METLIN ID=70917 ]			Hinokitiol glucoside	+	343.165	4.815	66.68	C15451	(344.1723, 3144.91)(345.1737, 759.41)	FindByMolecularFeature	C16 H22 O7	1
Hippuric acid	Hippuric acid [ C9 H9 N O3, overall=39.95, db=39.95, CAS ID=495-69-2, KEGG ID=C01586, METLIN ID=1301, HMP ID=HMDB00714 ]	495-69-2		Hippuric acid	+	179.0589	7.138	39.95	C01586	(180.0661, 2081.43)(181.0741, 571.38)	FindByMolecularFeature	C9 H9 N O3	1	HMDB00714
Hippuric acid +1.949	Hippuric acid [ C9 H9 N O3, overall=51.78, db=51.78, CAS ID=495-69-2, KEGG ID=C01586, METLIN ID=1301, HMP ID=HMDB00714 ]	495-69-2		Hippuric acid +1.949	+	179.0596	1.949	51.78	C01586	(180.0669, 1795.02)(181.0693, 596.75)	FindByMolecularFeature	C9 H9 N O3	1	HMDB00714
His Ala	His Ala [ C9 H14 N4 O3, overall=44.28, db=44.28, METLIN ID=23906 ]			His Ala	+	226.1041	6.648	44.28		(227.1114, 3028.38)(228.1182, 1299.16)	FindByMolecularFeature	C9 H14 N4 O3	1
His Gly Pro	His Gly Pro [ C13 H19 N5 O4, overall=61.05, db=61.05, METLIN ID=23427 ]			His Gly Pro	+	309.1426	6.696	61.05		(310.1499, 2464.2)(311.1572, 653.52)	FindByMolecularFeature	C13 H19 N5 O4	1
His Lys +2.927	His Lys [ C12 H21 N5 O3, overall=83.39, db=83.39, METLIN ID=23848 ]			His Lys +2.927	+	283.1635	2.927	83.39		(284.1707, 5818.08)(285.1739, 857.83)	FindByMolecularFeature	C12 H21 N5 O3	1
His Lys +6.072	His Lys [ C12 H21 N5 O3, overall=38.28, db=38.28, METLIN ID=23848 ]			His Lys +6.072	+	305.1457	6.072	38.28		(306.153, 2650.79)(307.1484, 790.56)	FindByMolecularFeature	C12 H21 N5 O3	1
His Lys Pro	His Lys Pro [ C17 H28 N6 O4, overall=30.40, db=30.40, METLIN ID=21369 ]			His Lys Pro	+	380.2205	1.322	30.4		(403.2112, 928.06)(381.2278, 1268.48)(398.2537, 2998.09)(399.2587, 1747.13)	FindByMolecularFeature	C17 H28 N6 O4	1
Histidylleucine	Histidylleucine [ C12 H20 N4 O3, overall=59.27, db=59.27, CAS ID=7763-65-7, KEGG ID=C05010, METLIN ID=66283 ]	7763-65-7		Histidylleucine	+	268.1532	7.924	59.27	C05010	(269.1604, 3556.31)(270.1663, 957.19)	FindByMolecularFeature	C12 H20 N4 O3	1
Histidylleucine +6.61	Histidylleucine [ C12 H20 N4 O3, overall=22.66, db=22.66, CAS ID=7763-65-7, KEGG ID=C05010, METLIN ID=66283 ]	7763-65-7		Histidylleucine +6.61	+	268.1506	6.61	22.66	C05010	(269.1578, 2219.8)(554.335, 1269.31)	FindByMolecularFeature	C12 H20 N4 O3	1
Homocysteinesulfinic acid	Homocysteinesulfinic acid [ C4 H9 N O4 S, overall=45.70, db=45.70, CAS ID=31523-80-5, METLIN ID=58413, HMP ID=HMDB06462 ]	31523-80-5		Homocysteinesulfinic acid	+	167.0259	3.207	45.7		(190.0154, 1337.19)(168.0331, 1486.85)	FindByMolecularFeature	C4 H9 N O4 S	1	HMDB06462
Homocystine	Homocystine [ C8 H16 N2 O4 S2, overall=47.18, db=47.18, CAS ID=462-10-2, KEGG ID=C01817, METLIN ID=4189 ]	462-10-2		Homocystine	+	285.0794	6.546	47.18	C01817	(286.0866, 3132.79)(287.0955, 650.29)	FindByMolecularFeature	C8 H16 N2 O4 S2	1
Homovanillyl alcohol	Homovanillyl alcohol [ C9 H12 O3, overall=42.22, db=42.22, CAS ID=2380-78-1, METLIN ID=3803 ]	2380-78-1		Homovanillyl alcohol	+	168.0776	9.712	42.22		(169.0849, 1311.42)(337.1621, 767.86)	FindByMolecularFeature	C9 H12 O3	1
Hydrouracil (Dihydrothymine)	Hydrouracil (Dihydrothymine) [ C5 H8 N2 O2, overall=78.55, db=78.55, CAS ID=696-04-8, KEGG ID=C00906, METLIN ID=291 ]	696-04-8		Hydrouracil (Dihydrothymine)	+	128.0587	7.491	78.55	C00906	(129.066, 10789.68)(130.0628, 580.74)	FindByMolecularFeature	C5 H8 N2 O2	1
Hydroxychloroquine	Hydroxychloroquine [ C18 H26 Cl N3 O, overall=58.32, db=58.32, CAS ID=118-42-3, KEGG ID=C07043, METLIN ID=3185 ]	118-42-3		Hydroxychloroquine	+	352.2035	1.148	58.32	C07043	(353.2108, 1989.99)(354.214, 846.99)	FindByMolecularFeature	C18 H26 Cl N3 O	1
Hydroxylysine	Hydroxylysine [ C6 H14 N2 O3, overall=36.25, db=36.25, CAS ID=13204-98-3, KEGG ID=C01211, METLIN ID=47 ]	13204-98-3		Hydroxylysine	+	162.0991	1.433	36.25	C01211	(163.1062, 1531.06)(325.2067, 615.13)	FindByMolecularFeature	C6 H14 N2 O3	1
Hydroxymelphalan	Hydroxymelphalan [ C13 H19 Cl N2 O3, overall=50.07, db=50.07, CAS ID=61733-01-5, METLIN ID=1125 ]	61733-01-5		Hydroxymelphalan	+	286.1069	1.715	50.07		(287.1142, 2194.51)(288.1218, 795.88)	FindByMolecularFeature	C13 H19 Cl N2 O3	1
Hymenoxon	Hymenoxon [ C15 H22 O5, overall=68.61, db=68.61, CAS ID=57377-32-9, KEGG ID=C09482, METLIN ID=67736 ]	57377-32-9		Hymenoxon	+	304.1272	6.219	68.61	C09482	(305.1345, 3369.82)(306.1415, 748.89)	FindByMolecularFeature	C15 H22 O5	1
Hypoxanthine	Hypoxanthine [ C5 H4 N4 O, overall=83.74, db=83.74, CAS ID=68-94-0, KEGG ID=C00262, METLIN ID=83, HMP ID=HMDB00157 ]	68-94-0		Hypoxanthine	+	158.0205	2.8	83.74	C00262	(159.0278, 8534.63)(160.0313, 735.49)	FindByMolecularFeature	C5 H4 N4 O	1	HMDB00157
Idebenone Metabolite (1,4-Benzenediol, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-)	Idebenone Metabolite (1,4-Benzenediol, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-) [ C19 H32 O5, overall=72.46, db=72.46, CAS ID=58186-26-8, METLIN ID=763 ]	58186-26-8		Idebenone Metabolite (1,4-Benzenediol, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-)	+	357.2523	1.168	72.46		(358.2596, 2729.44)(359.2658, 624.44)	FindByMolecularFeature	C19 H32 O5	1
Ilexolide A	Ilexolide A [ C35 H54 O7, overall=56.47, db=56.47, CAS ID=85344-31-6, KEGG ID=C08957, METLIN ID=67303 ]	85344-31-6		Ilexolide A	+	608.3726	4.375	56.47	C08957	(609.3799, 2583.18)(610.3831, 928.84)	FindByMolecularFeature	C35 H54 O7	1
Indican	Indican [ C14 H17 N O6, overall=75.60, db=75.60, CAS ID=487-60-5, KEGG ID=C08481, METLIN ID=524, HMP ID=HMDB00682 ]	487-60-5		Indican	+	312.1322	3.045	75.6	C08481	(313.1395, 5068.39)(314.1435, 1158.37)	FindByMolecularFeature	C14 H17 N O6	1	HMDB00682
Indicumenone +1.205	Indicumenone [ C15 H24 O3, overall=41.38, db=41.38, KEGG ID=C17612, METLIN ID=71816 ]			Indicumenone +1.205	+	252.1734	1.205	41.38	C17612	(253.1811, 1285.12)(505.352, 720.44)	FindByMolecularFeature	C15 H24 O3	1
Indicumenone +6.492	Indicumenone [ C15 H24 O3, overall=67.81, db=67.81, KEGG ID=C17612, METLIN ID=71816 ]			Indicumenone +6.492	+	274.1536	6.492	67.81	C17612	(275.1608, 2474.29)(276.1641, 647.61)	FindByMolecularFeature	C15 H24 O3	1
Indole-3-acetaldoxime N-oxide	Indole-3-acetaldoxime N-oxide [ C10 H10 N2 O2, overall=61.38, db=61.38, KEGG ID=C17204, METLIN ID=71605 ]			Indole-3-acetaldoxime N-oxide	+	190.075	1.449	61.38	C17204	(213.0653, 839.39)(191.0821, 4113.46)(192.0931, 642.85)	FindByMolecularFeature	C10 H10 N2 O2	1
Indoleacrylic acid	Indoleacrylic acid [ C11 H9 N O2, overall=74.26, db=74.26, CAS ID=1204-06-4, KEGG ID=C00331, METLIN ID=5702, HMP ID=HMDB00734 ]	1204-06-4		Indoleacrylic acid	+	187.0633	5.601	74.26	C00331	(188.0706, 3367.29)(189.0731, 672.58)	FindByMolecularFeature	C11 H9 N O2	1	HMDB00734
Iretol	Iretol [ C7 H8 O4, overall=63.35, db=63.35, CAS ID=487-71-8, METLIN ID=43632 ]	487-71-8		Iretol	+	156.0427	1.095	63.35		(157.0499, 4790.31)(158.0507, 795.44)	FindByMolecularFeature	C7 H8 O4	1
Iridotrial glucoside	Iridotrial glucoside [ C16 H24 O8, overall=18.16, db=18.16, KEGG ID=C11653, METLIN ID=41169 ]			Iridotrial glucoside	+	344.1503	1.118	18.16	C11653	(345.1553, 1068.09)(362.1848, 1970.35)	FindByMolecularFeature	C16 H24 O8	1
Irinotecan +1.85	Irinotecan [ C33 H38 N4 O6, overall=64.74, db=64.74, CAS ID=97682-44-5, KEGG ID=C16641, METLIN ID=71278 ]	97682-44-5		Irinotecan +1.85	+	586.2782	1.85	64.74	C16641	(587.2855, 1662.49)(588.2903, 798.1)	FindByMolecularFeature	C33 H38 N4 O6	1
Isobutylmethylxanthine	Isobutylmethylxanthine [ C10 H14 N4 O2, overall=41.46, db=41.46, CAS ID=28822-58-4, METLIN ID=44462 ]	28822-58-4		Isobutylmethylxanthine	+	222.1122	1.286	41.46		(223.1195, 1594.38)(224.1288, 530.23)(225.1095, 646.33)	FindByMolecularFeature	C10 H14 N4 O2	1
Isobutyrylglycine +2.719	Isobutyrylglycine [ C6 H11 N O3, overall=56.51, db=56.51, CAS ID=15926-18-8, METLIN ID=5698, HMP ID=HMDB00730 ]	15926-18-8		Isobutyrylglycine +2.719	+	145.074	2.719	56.51		(146.0813, 3848.44)(147.0865, 764.31)	FindByMolecularFeature	C6 H11 N O3	1	HMDB00730
Isocarbamid +3.934	Isocarbamid [ C8 H15 N3 O2, overall=59.85, db=59.85, CAS ID=30979-48-7, KEGG ID=C19047, METLIN ID=72796 ]	30979-48-7		Isocarbamid +3.934	+	185.1168	3.934	59.85	C19047	(186.1241, 2899.07)(187.1219, 911.57)(188.1286, 818.17)	FindByMolecularFeature	C8 H15 N3 O2	1
Isofebrifugine +2.393	Isofebrifugine [ C16 H19 N3 O3, overall=60.44, db=60.44, CAS ID=32434-44-9, KEGG ID=C10698, METLIN ID=68505 ]	32434-44-9		Isofebrifugine +2.393	+	323.1232	2.393	60.44	C10698	(324.1304, 2443.45)(325.1357, 745.68)	FindByMolecularFeature	C16 H19 N3 O3	1
isopimara-7,15-dienal	isopimara-7,15-dienal [ C20 H30 O, overall=60.12, db=60.12, KEGG ID=C18222, METLIN ID=53617 ]			isopimara-7,15-dienal	+	308.2128	1.423	60.12	C18222	(309.2201, 3073.13)(310.228, 779.56)	FindByMolecularFeature	C20 H30 O	1
Isopratol	Isopratol [ C16 H12 O4, overall=41.80, db=41.80, Lipid ID=LMPK12110036, METLIN ID=48472 ]			Isopratol	+	268.0747	1.204	41.8		(269.0821, 1291.74)(554.1823, 661.15)	FindByMolecularFeature	C16 H12 O4	1		LMPK12110036
Isoproturon	Isoproturon [ C12 H18 N2 O, overall=57.46, db=57.46, CAS ID=34123-59-6, KEGG ID=C11005, METLIN ID=68764 ]	34123-59-6		Isoproturon	+	206.1432	3.156	57.46	C11005	(207.1504, 4311.37)(208.1504, 1124.94)	FindByMolecularFeature	C12 H18 N2 O	1
Isoproturon +6.456	Isoproturon [ C12 H18 N2 O, overall=63.31, db=63.31, CAS ID=34123-59-6, KEGG ID=C11005, METLIN ID=68764 ]	34123-59-6		Isoproturon +6.456	+	228.1232	6.456	63.31	C11005	(229.1305, 3232.22)(230.1386, 733.43)	FindByMolecularFeature	C12 H18 N2 O	1
I-Urobilin +1.225	I-Urobilin [ C33 H42 N4 O6, overall=57.44, db=57.44, CAS ID=1856-98-0, KEGG ID=C05794, METLIN ID=58222, HMP ID=HMDB04160 ]	1856-98-0		I-Urobilin +1.225	+	590.309	1.225	57.44	C05794	(591.3163, 10887.41)(592.3218, 6447.16)	FindByMolecularFeature	C33 H42 N4 O6	1	HMDB04160
I-Urobilin +6.068	I-Urobilin [ C33 H42 N4 O6, overall=73.93, db=73.93, CAS ID=1856-98-0, KEGG ID=C05794, METLIN ID=58222, HMP ID=HMDB04160 ]	1856-98-0		I-Urobilin +6.068	+	590.3101	6.068	73.93	C05794	(591.3174, 4240.07)(592.3208, 1662.18)	FindByMolecularFeature	C33 H42 N4 O6	1	HMDB04160
Ivermectin B1a	Ivermectin B1a [ C48 H74 O14, overall=60.34, db=60.34, CAS ID=71827-03-7, KEGG ID=C07970, METLIN ID=879 ]	71827-03-7		Ivermectin B1a	+	891.5339	2.378	60.34	C07970	(892.5411, 2577.56)(893.5446, 1699.82)	FindByMolecularFeature	C48 H74 O14	1
Ivermectin B1a +2.617	Ivermectin B1a [ C48 H74 O14, overall=96.27, db=96.27, CAS ID=71827-03-7, KEGG ID=C07970, METLIN ID=879 ]	71827-03-7		Ivermectin B1a +2.617	+	891.5339	2.617	96.27	C07970	(892.5412, 6073.84)(893.5439, 3018.38)(894.548, 1053.62)	FindByMolecularFeature	C48 H74 O14	1
JWH 018 2-hydroxyindole metabolite	JWH 018 2-hydroxyindole metabolite [ C24 H23 N O2, overall=60.48, db=60.48, METLIN ID=64904 ]			JWH 018 2-hydroxyindole metabolite	+	357.1723	5.59	60.48		(358.1796, 2359.21)(359.1835, 1137.76)	FindByMolecularFeature	C24 H23 N O2	1
JWH 073 2-hydroxyindole	JWH 073 2-hydroxyindole [ C23 H21 N O2, overall=51.59, db=51.59, METLIN ID=64776 ]			JWH 073 2-hydroxyindole	+	343.1541	1.378	51.59		(344.1613, 1405.09)(345.1727, 615.68)	FindByMolecularFeature	C23 H21 N O2	1
JWH 251	JWH 251 [ C22 H25 N O, overall=45.70, db=45.70, CAS ID=864445-39-6, METLIN ID=64769 ]	864445-39-6		JWH 251	+	319.1964	1.097	45.7		(320.2037, 2691.9)(321.2027, 1268.94)	FindByMolecularFeature	C22 H25 N O	1
Kaempferol 3-(2''''-sinapylglucosyl)(1-4)(6'''-sinapylglucosyl)(1-2)-galactoside	Kaempferol 3-(2''''-sinapylglucosyl)(1-4)(6'''-sinapylglucosyl)(1-2)-galactoside [ C55 H60 O29, overall=48.59, db=48.59, Lipid ID=LMPK12111699, METLIN ID=50115 ]			Kaempferol 3-(2''''-sinapylglucosyl)(1-4)(6'''-sinapylglucosyl)(1-2)-galactoside	+	1206.3029	1.026	48.59		(1207.31, 1229.47)(1208.31, 1386.02)(1209.3063, 900.29)	FindByMolecularFeature	C55 H60 O29	1		LMPK12111699
Kaempferol 3-apioside-7-rhamnosyl-(1-6)-(2''-(E)-caffeoylglactoside)	Kaempferol 3-apioside-7-rhamnosyl-(1-6)-(2''-(E)-caffeoylglactoside) [ C41 H44 O22, overall=12.07, db=12.07, Lipid ID=LMPK12111968, METLIN ID=50384 ]			Kaempferol 3-apioside-7-rhamnosyl-(1-6)-(2''-(E)-caffeoylglactoside)	+	888.226	1.015	12.07		(889.2353, 991.7)(890.2331, 917.03)(891.2344, 875.07)(906.2596, 5000.65)(907.2604, 4369.81)(908.246, 8322.14)(909.2435, 6937.9)(910.2344, 7898.26)	FindByMolecularFeature	C41 H44 O22	1		LMPK12111968
Karanjachromene	Karanjachromene [ C21 H18 O4, overall=23.89, db=23.89, Lipid ID=LMPK12111544, METLIN ID=49965 ]			Karanjachromene	+	334.1239	6.218	23.89		(357.1147, 737.48)(335.131, 2467.17)	FindByMolecularFeature	C21 H18 O4	1		LMPK12111544
Karbutilate	Karbutilate [ C14 H21 N3 O3, overall=69.59, db=69.59, CAS ID=4849-32-5, KEGG ID=C18433, METLIN ID=72240 ]	4849-32-5		Karbutilate	+	301.1401	8.093	69.59	C18433	(302.1474, 4071.4)(303.1474, 929.2)	FindByMolecularFeature	C14 H21 N3 O3	1
Kentsin	Kentsin [ C21 H40 N8 O6, overall=37.21, db=37.21, CAS ID=56767-30-7, METLIN ID=58311, HMP ID=HMDB05776 ]	56767-30-7		Kentsin	+	522.2846	2.626	37.21		(523.2919, 760.0)(524.2961, 826.83)	FindByMolecularFeature	C21 H40 N8 O6	1	HMDB05776
L-4-Hydroxy-3-methoxy-a-methylphenylalanine +6.954	L-4-Hydroxy-3-methoxy-a-methylphenylalanine [ C11 H15 N O4, overall=47.41, db=47.41, CAS ID=6739-31-7, METLIN ID=1219 ]	6739-31-7		L-4-Hydroxy-3-methoxy-a-methylphenylalanine +6.954	+	225.1002	6.954	47.41		(226.1076, 1769.91)(243.133, 624.37)	FindByMolecularFeature	C11 H15 N O4	1
Lactaroviolin	Lactaroviolin [ C15 H14 O, overall=40.18, db=40.18, CAS ID=85-33-6, KEGG ID=C09696, METLIN ID=67890 ]	85-33-6		Lactaroviolin	+	210.1056	6.48	40.18	C09696	(211.1118, 937.91)(228.1396, 3957.19)	FindByMolecularFeature	C15 H14 O	1
L-Adrenaline +2.018	L-Adrenaline [ C9 H13 N O3, overall=56.12, db=56.12, CAS ID=51-43-4, KEGG ID=C00788, METLIN ID=63502 ]	51-43-4		L-Adrenaline +2.018	+	183.09	2.018	56.12	C00788	(184.0973, 6189.02)(185.0979, 1526.6)	FindByMolecularFeature	C9 H13 N O3	1
L-Adrenaline +3.188	L-Adrenaline [ C9 H13 N O3, overall=56.95, db=56.95, CAS ID=51-43-4, KEGG ID=C00788, METLIN ID=63502 ]	51-43-4		L-Adrenaline +3.188	+	183.0901	3.188	56.95	C00788	(184.0974, 3511.88)(185.0991, 1003.14)	FindByMolecularFeature	C9 H13 N O3	1
L-Adrenaline +6.16	L-Adrenaline [ C9 H13 N O3, overall=78.80, db=78.80, CAS ID=51-43-4, KEGG ID=C00788, METLIN ID=63502 ]	51-43-4		L-Adrenaline +6.16	+	183.0901	6.16	78.8	C00788	(184.0973, 8585.23)(185.1022, 1093.85)	FindByMolecularFeature	C9 H13 N O3	1
Lanceotoxin A +1.675	Lanceotoxin A [ C32 H44 O12, overall=69.66, db=69.66, CAS ID=93771-82-5, KEGG ID=C08872, METLIN ID=67237 ]	93771-82-5		Lanceotoxin A +1.675	+	620.284	1.675	69.66	C08872	(621.2912, 4155.49)(622.2949, 1756.81)(623.3022, 1037.51)	FindByMolecularFeature	C32 H44 O12	1
Lanceotoxin B +2.773	Lanceotoxin B [ C32 H44 O11, overall=57.87, db=57.87, CAS ID=93802-98-3, KEGG ID=C08873, METLIN ID=67238 ]	93802-98-3		Lanceotoxin B +2.773	+	604.2885	2.773	57.87	C08873	(605.2958, 1616.82)(606.3005, 1097.88)	FindByMolecularFeature	C32 H44 O11	1
Lauryl hydrogen sulfate +1.211	Lauryl hydrogen sulfate [ C12 H26 O4 S, overall=52.51, db=52.51, CAS ID=151-21-3, KEGG ID=C11166, METLIN ID=58284, HMP ID=HMDB05004 ]	151-21-3		Lauryl hydrogen sulfate +1.211	+	266.1554	1.211	52.51	C11166	(267.1627, 3808.39)(268.1687, 1074.61)	FindByMolecularFeature	C12 H26 O4 S	1	HMDB05004
L-Dopa +2.865	L-Dopa [ C9 H11 N O4, overall=62.31, db=62.31, CAS ID=59-92-7, KEGG ID=C00355, METLIN ID=42, HMP ID=HMDB00181 ]	59-92-7		L-Dopa +2.865	+	214.096	2.865	62.31	C00355	(215.1033, 2105.49)(216.1072, 694.28)(217.1039, 671.82)	FindByMolecularFeature	C9 H11 N O4	1	HMDB00181
Lentiginosine +1.216	Lentiginosine [ C8 H15 N O2, overall=50.69, db=50.69, CAS ID=125279-72-3, KEGG ID=C10155, METLIN ID=68160 ]	125279-72-3		Lentiginosine +1.216	+	179.0944	1.216	50.69	C10155	(180.1017, 3581.58)(181.0973, 837.19)	FindByMolecularFeature	C8 H15 N O2	1
Lentiginosine +6.376	Lentiginosine [ C8 H15 N O2, overall=47.56, db=47.56, CAS ID=125279-72-3, KEGG ID=C10155, METLIN ID=68160 ]	125279-72-3		Lentiginosine +6.376	+	157.1102	6.376	47.56	C10155	(158.1175, 2563.27)(159.1141, 568.41)(160.1072, 1332.45)(175.144, 3975.36)	FindByMolecularFeature	C8 H15 N O2	1
Leontiformine	Leontiformine [ C15 H26 N2 O, overall=73.95, db=73.95, CAS ID=29073-26-5, KEGG ID=C10771, METLIN ID=68566 ]	29073-26-5		Leontiformine	+	272.1848	7.205	73.95	C10771	(273.192, 2838.58)(274.2015, 560.29)	FindByMolecularFeature	C15 H26 N2 O	1
Lepidissipyrone +5.579	Lepidissipyrone [ C24 H22 O7, overall=49.02, db=49.02, Lipid ID=LMPK12140212, METLIN ID=52701 ]			Lepidissipyrone +5.579	+	422.1398	5.579	49.02		(423.1471, 4402.11)(424.1509, 1575.01)	FindByMolecularFeature	C24 H22 O7	1		LMPK12140212
Letrozole +1.257	Letrozole [ C17 H11 N5, overall=74.74, db=74.74, KEGG ID=C08163, METLIN ID=43225 ]			Letrozole +1.257	+	302.1275	1.257	74.74	C08163	(303.1348, 7028.54)(304.136, 1864.69)	FindByMolecularFeature	C17 H11 N5	1
Leu Lys Tyr	Leu Lys Tyr [ C21 H34 N4 O5, overall=16.67, db=16.67, METLIN ID=15923 ]			Leu Lys Tyr	+	422.2554	1.331	16.67		(867.5067, 1186.47)(423.2617, 2295.08)(424.279, 917.96)	FindByMolecularFeature	C21 H34 N4 O5	1
Leucyl-leucine	Leucyl-leucine [ C12 H24 N2 O3, overall=41.76, db=41.76, CAS ID=2883-36-5, KEGG ID=C11332, METLIN ID=68997 ]	2883-36-5		Leucyl-leucine	+	266.1602	1.258	41.76	C11332	(267.1675, 2224.48)(268.1645, 658.99)	FindByMolecularFeature	C12 H24 N2 O3	1
Levetiracetam	Levetiracetam [ C8 H14 N2 O2, overall=61.01, db=61.01, CAS ID=102767-28-2, KEGG ID=C07841, METLIN ID=66750 ]	102767-28-2		Levetiracetam	+	170.106	4.965	61.01	C07841	(171.1133, 3917.9)(172.114, 808.2)	FindByMolecularFeature	C8 H14 N2 O2	1
L-Glutamic acid n-butyl ester +1.175	L-Glutamic acid n-butyl ester [ C9 H17 N O4, overall=31.93, db=31.93, CAS ID=152726-66-4, METLIN ID=3544 ]	152726-66-4		L-Glutamic acid n-butyl ester +1.175	+	203.1144	1.175	31.93		(204.1231, 1231.76)(221.1476, 1273.01)	FindByMolecularFeature	C9 H17 N O4	1
L-Histidinal +4.192	L-Histidinal [ C6 H9 N3 O, overall=63.96, db=63.96, CAS ID=, KEGG ID=C01929, METLIN ID=63490 ]			L-Histidinal +4.192	+	139.0742	4.192	63.96	C01929	(140.0815, 4619.42)(141.0874, 727.11)	FindByMolecularFeature	C6 H9 N3 O	1
L-Homotyrosine +6.338	L-Homotyrosine [ C10 H13 N O3, overall=66.17, db=66.17, KEGG ID=C18622, METLIN ID=72416 ]			L-Homotyrosine +6.338	+	195.0901	6.338	66.17	C18622	(196.0974, 4728.0)(197.1009, 1054.08)	FindByMolecularFeature	C10 H13 N O3	1
Limocitrol 3-[alpha-L-arabinopyranosyl-(1-3)[galactosyl-(1-6)]-galactoside]	Limocitrol 3-[alpha-L-arabinopyranosyl-(1-3)[galactosyl-(1-6)]-galactoside] [ C35 H44 O23, overall=36.01, db=36.01, Lipid ID=LMPK12113319, METLIN ID=51731 ]			Limocitrol 3-[alpha-L-arabinopyranosyl-(1-3)[galactosyl-(1-6)]-galactoside]	+	854.2116	1.039	36.01		(855.2188, 1638.73)(856.208, 1258.62)	FindByMolecularFeature	C35 H44 O23	1		LMPK12113319
Linoleoyl Ethanolamide +1.219	Linoleoyl Ethanolamide [ C20 H37 N O2, overall=46.62, db=46.62, Lipid ID=LMFA08040004, CAS ID=68171-52-8, METLIN ID=3718, HMP ID=HMDB12252 ]	68171-52-8		Linoleoyl Ethanolamide +1.219	+	340.3082	1.219	46.62		(341.3154, 1925.06)(342.3139, 680.2)	FindByMolecularFeature	C20 H37 N O2	1	HMDB12252	LMFA08040004
Liquiritigenin 7-apiofuranoside-4'-glucoside	Liquiritigenin 7-apiofuranoside-4'-glucoside [ C26 H30 O13, overall=46.19, db=46.19, Lipid ID=LMPK12140024, METLIN ID=52514 ]			Liquiritigenin 7-apiofuranoside-4'-glucoside	+	550.1729	4.132	46.19		(551.1802, 2011.22)(552.1845, 687.11)	FindByMolecularFeature	C26 H30 O13	1		LMPK12140024
Lisinopril	Lisinopril [ C21 H31 N3 O5, overall=59.31, db=59.31, CAS ID=76547-98-3, KEGG ID=C07077, METLIN ID=1009 ]	76547-98-3		Lisinopril	+	405.2261	9.224	59.31	C07077	(406.2333, 1623.37)(407.2366, 1031.28)	FindByMolecularFeature	C21 H31 N3 O5	1
L-NIO	L-NIO [ C7 H15 N3 O2, overall=66.12, db=66.12, CAS ID=36889-13-1, METLIN ID=62971 ]	36889-13-1		L-NIO	+	173.1168	5.052	66.12		(174.1241, 4223.88)(175.126, 835.06)	FindByMolecularFeature	C7 H15 N3 O2	1
L-O-Methylthreonine +6.068	L-O-Methylthreonine [ C5 H11 N O3, overall=46.93, db=46.93, CAS ID=88642-93-7, METLIN ID=44769 ]	88642-93-7		L-O-Methylthreonine +6.068	+	133.0746	6.068	46.93		(289.1402, 701.29)(134.0815, 1879.01)	FindByMolecularFeature	C5 H11 N O3	1
Lophophorine +3.607	Lophophorine [ C13 H17 N O3, overall=74.11, db=74.11, CAS ID=17627-78-0, KEGG ID=C09573, METLIN ID=67815 ]	17627-78-0		Lophophorine +3.607	+	257.1017	3.607	74.11	C09573	(258.109, 5709.02)(259.1147, 1085.87)	FindByMolecularFeature	C13 H17 N O3	1
Loxtidine	Loxtidine [ C19 H29 N5 O2, overall=39.78, db=39.78, CAS ID=76956-02-0, KEGG ID=C11805, METLIN ID=69234 ]	76956-02-0		Loxtidine	+	359.2313	1.25	39.78	C11805	(360.2377, 1944.77)(377.2675, 1024.82)	FindByMolecularFeature	C19 H29 N5 O2	1
L-prolyl-L-proline +2.828	L-prolyl-L-proline [ C10 H16 N2 O3, overall=52.42, db=52.42, METLIN ID=62027, HMP ID=HMDB11180 ]			L-prolyl-L-proline +2.828	+	212.1167	2.828	52.42		(213.124, 2188.23)(214.1243, 788.38)	FindByMolecularFeature	C10 H16 N2 O3	1	HMDB11180
L-Urobilin +1.684	L-Urobilin [ C33 H46 N4 O6, overall=71.38, db=71.38, CAS ID=34217-90-8, KEGG ID=C05793, METLIN ID=7022, HMP ID=HMDB04159 ]	34217-90-8		L-Urobilin +1.684	+	594.3412	1.684	71.38	C05793	(595.3485, 5746.57)(596.3522, 2890.99)(597.3609, 1353.74)	FindByMolecularFeature	C33 H46 N4 O6	1	HMDB04159
L-Urobilinogen +2.104	L-Urobilinogen [ C33 H48 N4 O6, overall=59.00, db=59.00, CAS ID=, KEGG ID=C05789, METLIN ID=63920 ]			L-Urobilinogen +2.104	+	596.3573	2.104	59	C05789	(597.3646, 1209.76)(598.3663, 722.07)	FindByMolecularFeature	C33 H48 N4 O6	1
L-Urobilinogen +6.666	L-Urobilinogen [ C33 H48 N4 O6, overall=73.54, db=73.54, CAS ID=, KEGG ID=C05789, METLIN ID=63920 ]			L-Urobilinogen +6.666	+	596.3575	6.666	73.54	C05789	(597.3647, 2182.9)(598.3662, 717.68)	FindByMolecularFeature	C33 H48 N4 O6	1
Lys Arg Arg +1.25	Lys Arg Arg [ C18 H38 N10 O4, overall=53.94, db=53.94, METLIN ID=23439 ]			Lys Arg Arg +1.25	+	458.3061	1.25	53.94		(459.3134, 1305.31)(460.3105, 700.49)(461.3249, 1129.82)	FindByMolecularFeature	C18 H38 N10 O4	1
Lys Gly +6.484	Lys Gly [ C8 H17 N3 O3, overall=50.72, db=50.72, METLIN ID=23747 ]			Lys Gly +6.484	+	203.1279	6.484	50.72		(204.1352, 2113.17)(205.1339, 685.53)	FindByMolecularFeature	C8 H17 N3 O3	1
Lys His Leu	Lys His Leu [ C18 H32 N6 O4, overall=44.03, db=44.03, METLIN ID=17887 ]			Lys His Leu	+	396.2472	1.367	44.03		(397.2546, 1381.38)(414.2809, 877.14)	FindByMolecularFeature	C18 H32 N6 O4	1
Lys Phe Gln +1.35	Lys Phe Gln [ C20 H31 N5 O5, overall=23.13, db=23.13, METLIN ID=22733 ]			Lys Phe Gln +1.35	+	421.2358	1.35	23.13		(422.2435, 2302.39)(439.269, 1289.58)	FindByMolecularFeature	C20 H31 N5 O5	1
Lys Thr Tyr +2.895	Lys Thr Tyr [ C19 H30 N4 O6, overall=79.94, db=79.94, METLIN ID=17627 ]			Lys Thr Tyr +2.895	+	410.2155	2.895	79.94		(411.2227, 4829.68)(412.2271, 982.95)	FindByMolecularFeature	C19 H30 N4 O6	1
Lys Thr Tyr +2.898	Lys Thr Tyr [ C19 H30 N4 O6, overall=72.51, db=72.51, METLIN ID=17627 ]			Lys Thr Tyr +2.898	+	427.2418	2.898	72.51		(428.2491, 3033.72)(429.252, 886.09)	FindByMolecularFeature	C19 H30 N4 O6	1
Lys Tyr Gly	Lys Tyr Gly [ C17 H26 N4 O5, overall=45.59, db=45.59, METLIN ID=22856 ]			Lys Tyr Gly	+	366.1891	2.54	45.59		(367.1959, 894.2)(384.2233, 1533.55)	FindByMolecularFeature	C17 H26 N4 O5	1
Lys Tyr Gly +2.542	Lys Tyr Gly [ C17 H26 N4 O5, overall=55.73, db=55.73, METLIN ID=22856 ]			Lys Tyr Gly +2.542	+	383.2159	2.542	55.73		(384.2232, 1524.13)(385.2331, 507.36)	FindByMolecularFeature	C17 H26 N4 O5	1
LysoPC(14:1(9Z))	LysoPC(14:1(9Z)) [ C22 H45 N O7 P, overall=36.45, db=36.45, CAS ID=, KEGG ID=C04230, METLIN ID=61690, HMP ID=HMDB10380 ]			LysoPC(14:1(9Z))	+	465.2876	1.337	36.45	C04230	(466.2952, 1073.63)(483.321, 1071.06)	FindByMolecularFeature	C22 H45 N O7 P	1	HMDB10380
Makisterone A +1.48	Makisterone A [ C28 H46 O7, overall=57.84, db=57.84, CAS ID=20137-14-8, KEGG ID=C16874, METLIN ID=71399 ]	20137-14-8		Makisterone A +1.48	+	494.3234	1.48	57.84	C16874	(495.3306, 2500.12)(496.3335, 1321.46)	FindByMolecularFeature	C28 H46 O7	1
Malyngamide C acetate	Malyngamide C acetate [ C26 H40 Cl N O6, overall=48.55, db=48.55, METLIN ID=65439 ]			Malyngamide C acetate	+	514.2791	2.775	48.55		(515.2864, 1414.32)(516.2885, 984.18)	FindByMolecularFeature	C26 H40 Cl N O6	1
Mebhydrolin	Mebhydrolin [ C19 H20 N2, overall=65.69, db=65.69, CAS ID=524-81-2, METLIN ID=43471 ]	524-81-2		Mebhydrolin	+	298.1461	8.553	65.69		(299.1534, 4851.0)(300.1561, 1231.75)(301.1536, 786.48)	FindByMolecularFeature	C19 H20 N2	1
Mebhydrolin +8.612	Mebhydrolin [ C19 H20 N2, overall=64.25, db=64.25, CAS ID=524-81-2, METLIN ID=43471 ]	524-81-2		Mebhydrolin +8.612	+	298.1461	8.612	64.25		(299.1534, 5920.28)(300.1557, 983.67)(301.1479, 909.25)	FindByMolecularFeature	C19 H20 N2	1
MeIQ	MeIQ [ C12 H12 N4, overall=66.03, db=66.03, CAS ID=77094-11-2, KEGG ID=C19254, METLIN ID=72974 ]	77094-11-2		MeIQ	+	229.1306	1.475	66.03	C19254	(230.1379, 3856.56)(231.145, 722.64)	FindByMolecularFeature	C12 H12 N4	1
MeIQ +1.189	MeIQ [ C12 H12 N4, overall=40.04, db=40.04, CAS ID=77094-11-2, KEGG ID=C19254, METLIN ID=72974 ]	77094-11-2		MeIQ +1.189	+	212.1073	1.189	40.04	C19254	(213.1148, 1187.1)(230.1408, 1087.23)	FindByMolecularFeature	C12 H12 N4	1
MeIQx +7.169	MeIQx [ C11 H11 N5, overall=77.66, db=77.66, CAS ID=77500-04-0, KEGG ID=C19255, METLIN ID=72975 ]	77500-04-0		MeIQx +7.169	+	213.1006	7.169	77.66	C19255	(214.1079, 4903.66)(215.1148, 739.83)	FindByMolecularFeature	C11 H11 N5	1
Melamine	Melamine [ C3 H6 N6, overall=67.93, db=67.93, CAS ID=108-78-1, KEGG ID=C08737, METLIN ID=67157 ]	108-78-1		Melamine	+	126.0657	3.761	67.93	C08737	(127.073, 3426.87)(128.0715, 420.59)	FindByMolecularFeature	C3 H6 N6	1
Meperidine (pethidine)	Meperidine (pethidine) [ C15 H21 N O2, overall=44.29, db=44.29, CAS ID=57-42-1, KEGG ID=C07128, METLIN ID=1127 ]	57-42-1		Meperidine (pethidine)	+	269.1379	6.597	44.29	C07128	(270.1452, 2555.37)(271.156, 1243.71)	FindByMolecularFeature	C15 H21 N O2	1
Mepronil	Mepronil [ C17 H19 N O2, overall=49.69, db=49.69, CAS ID=55814-41-0, KEGG ID=C18548, METLIN ID=72353 ]	55814-41-0		Mepronil	+	269.1398	6.212	49.69	C18548	(270.147, 1843.4)(271.1529, 765.23)	FindByMolecularFeature	C17 H19 N O2	1
Meradimate	Meradimate [ C17 H25 N O2, overall=33.56, db=33.56, CAS ID=, METLIN ID=43246 ]			Meradimate	+	258.1619	3.049	33.56		(259.1673, 1168.01)(276.1979, 2039.32)	FindByMolecularFeature	C17 H25 N O2	1
Mescaline +1.457	Mescaline [ C11 H17 N O3, overall=42.47, db=42.47, CAS ID=54-04-6, KEGG ID=C06546, METLIN ID=3346 ]	54-04-6		Mescaline +1.457	+	211.1234	1.457	42.47	C06546	(212.1306, 3862.17)(213.1312, 1028.51)	FindByMolecularFeature	C11 H17 N O3	1
Mescaline +1.71	Mescaline [ C11 H17 N O3, overall=40.50, db=40.50, CAS ID=54-04-6, KEGG ID=C06546, METLIN ID=3346 ]	54-04-6		Mescaline +1.71	+	211.1204	1.71	40.5	C06546	(212.1294, 2168.06)(229.1525, 1361.48)	FindByMolecularFeature	C11 H17 N O3	1
Mesobilirubinogen	Mesobilirubinogen [ C33 H44 N4 O6, overall=59.92, db=59.92, CAS ID=14684-37-8, KEGG ID=C05790, METLIN ID=58064, HMP ID=HMDB01898 ]	14684-37-8		Mesobilirubinogen	+	296.1627	1.248	59.92	C05790	(297.1712, 775.0)(593.3318, 2168.22)(594.3372, 1131.67)	FindByMolecularFeature	C33 H44 N4 O6	1	HMDB01898
Mesobilirubinogen +1.447	Mesobilirubinogen [ C33 H44 N4 O6, overall=72.89, db=72.89, CAS ID=14684-37-8, KEGG ID=C05790, METLIN ID=58064, HMP ID=HMDB01898 ]	14684-37-8		Mesobilirubinogen +1.447	+	614.3076	1.447	72.89	C05790	(615.3149, 9514.2)(616.3187, 3840.13)	FindByMolecularFeature	C33 H44 N4 O6	1	HMDB01898
Mesobilirubinogen +1.605	Mesobilirubinogen [ C33 H44 N4 O6, overall=63.38, db=63.38, CAS ID=14684-37-8, KEGG ID=C05790, METLIN ID=58064, HMP ID=HMDB01898 ]	14684-37-8		Mesobilirubinogen +1.605	+	592.3246	1.605	63.38	C05790	(593.3319, 1571.8)(594.337, 753.1)	FindByMolecularFeature	C33 H44 N4 O6	1	HMDB01898
Mesoporphyrin IX	Mesoporphyrin IX [ C34 H38 N4 O4, overall=69.84, db=69.84, CAS ID=493-90-3, METLIN ID=6655, HMP ID=HMDB02379 ]	493-90-3		Mesoporphyrin IX	+	566.291	9.121	69.84		(567.2983, 2475.05)(568.3, 774.98)	FindByMolecularFeature	C34 H38 N4 O4	1	HMDB02379
Met Thr	Met Thr [ C9 H18 N2 O4 S, overall=31.28, db=31.28, METLIN ID=23742 ]			Met Thr	+	250.0961	6.665	31.28		(251.1038, 3016.75)(268.1273, 793.23)	FindByMolecularFeature	C9 H18 N2 O4 S	1
Metabutethamine +6.465	Metabutethamine [ C13 H20 N2 O2, overall=46.00, db=46.00, CAS ID=4439-25-2, KEGG ID=C17723, METLIN ID=71881 ]	4439-25-2		Metabutethamine +6.465	+	236.1553	6.465	46	C17723	(237.1626, 2302.08)(238.1596, 705.92)	FindByMolecularFeature	C13 H20 N2 O2	1
Metabutethamine +9.304	Metabutethamine [ C13 H20 N2 O2, overall=80.98, db=80.98, CAS ID=4439-25-2, KEGG ID=C17723, METLIN ID=71881 ]	4439-25-2		Metabutethamine +9.304	+	236.1522	9.304	80.98	C17723	(237.1595, 7161.46)(238.1638, 1357.6)	FindByMolecularFeature	C13 H20 N2 O2	1
Metamitron +6.552	Metamitron [ C10 H10 N4 O, overall=59.51, db=59.51, CAS ID=41394-05-2, KEGG ID=C10930, METLIN ID=68697 ]	41394-05-2		Metamitron +6.552	+	202.0858	6.552	59.51	C10930	(203.093, 2143.69)(204.0953, 778.94)	FindByMolecularFeature	C10 H10 N4 O	1
Methacholine +1.591	Methacholine [ C8 H18 N O2, overall=45.58, db=45.58, CAS ID=62-51-1, KEGG ID=C07471, METLIN ID=43545 ]	62-51-1		Methacholine +1.591	+	159.1258	1.591	45.58	C07471	(182.1182, 1423.6)(160.1326, 4453.08)	FindByMolecularFeature	C8 H18 N O2	1
Methocarbamol	Methocarbamol [ C11 H15 N O5, overall=63.74, db=63.74, METLIN ID=43251 ]			Methocarbamol	+	241.096	6.842	63.74		(242.1033, 3006.97)(243.1058, 718.95)	FindByMolecularFeature	C11 H15 N O5	1
Methocarbamol +2.92	Methocarbamol [ C11 H15 N O5, overall=27.28, db=27.28, METLIN ID=43251 ]			Methocarbamol +2.92	+	241.0974	2.92	27.28		(242.1048, 2947.27)(259.13, 836.04)	FindByMolecularFeature	C11 H15 N O5	1
methyl 13-sophorosyloxydocosanoate	methyl 13-sophorosyloxydocosanoate [ C35 H66 O13, overall=56.20, db=56.20, Lipid ID=LMFA13020002, METLIN ID=46609 ]			methyl 13-sophorosyloxydocosanoate	+	716.4308	7.367	56.2		(717.4381, 8006.19)(718.4406, 1080.37)	FindByMolecularFeature	C35 H66 O13	1		LMFA13020002
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate	methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate [ C17 H26 O5, overall=48.94, db=48.94, Lipid ID=LMFA01050151, METLIN ID=74529 ]			methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate	+	310.1785	1.103	48.94		(311.1857, 2857.49)(312.1837, 1056.29)	FindByMolecularFeature	C17 H26 O5	1		LMFA01050151
Methylsulfomycin I	Methylsulfomycin I [ C55 H54 N16 O16 S2, overall=63.57, db=63.57, KEGG ID=C15741, METLIN ID=71072 ]			Methylsulfomycin I	+	1280.323	1.039	63.57	C15741	(1281.3303, 2265.5)(1282.3285, 1558.37)(1283.3254, 1089.64)	FindByMolecularFeature	C55 H54 N16 O16 S2	1
Mexacarbate +9.759	Mexacarbate [ C12 H18 N2 O2, overall=68.55, db=68.55, CAS ID=315-18-4, KEGG ID=C18952, METLIN ID=72712 ]	315-18-4		Mexacarbate +9.759	+	222.1371	9.759	68.55	C18952	(223.1444, 2376.55)(224.1433, 479.77)	FindByMolecularFeature	C12 H18 N2 O2	1
MG(0:0/20:3(11Z,14Z,17Z)/0:0)	MG(0:0/20:3(11Z,14Z,17Z)/0:0) [ C23 H40 O4, overall=63.89, db=63.89, METLIN ID=62329, HMP ID=HMDB11545 ]			MG(0:0/20:3(11Z,14Z,17Z)/0:0)	+	397.3191	1.081	63.89		(398.3264, 2973.64)(399.3301, 1265.14)(400.3358, 2338.09)	FindByMolecularFeature	C23 H40 O4	1	HMDB11545
MG(16:1(9Z)/0:0/0:0)	MG(16:1(9Z)/0:0/0:0) [ C19 H36 O4, overall=58.58, db=58.58, METLIN ID=62347, HMP ID=HMDB11565 ]			MG(16:1(9Z)/0:0/0:0)	+	345.2881	2.369	58.58		(346.2954, 1560.35)(347.2978, 841.64)	FindByMolecularFeature	C19 H36 O4	1	HMDB11565
MG(18:0/0:0/0:0)	MG(18:0/0:0/0:0) [ C21 H42 O4, overall=65.85, db=65.85, METLIN ID=61993, HMP ID=HMDB11131 ]			MG(18:0/0:0/0:0)	+	380.2904	1.111	65.85		(381.2977, 5872.41)(382.3014, 2174.92)	FindByMolecularFeature	C21 H42 O4	1	HMDB11131
MGK 264	MGK 264 [ C17 H25 N O2, overall=68.39, db=68.39, CAS ID=113-48-4, KEGG ID=C18795, METLIN ID=72564 ]	113-48-4		MGK 264	+	297.17	2.951	68.39	C18795	(298.1773, 3003.29)(299.1784, 794.46)	FindByMolecularFeature	C17 H25 N O2	1
Micropine	Micropine [ C16 H27 N O2, overall=78.77, db=78.77, Lipid ID=LMSP01080050, METLIN ID=53950 ]			Micropine	+	282.2308	9.511	78.77		(283.238, 8447.71)(284.2412, 1033.63)	FindByMolecularFeature	C16 H27 N O2	1		LMSP01080050
MID42021:(22E)-26,26,26,27,27,27-hexafluoro-25-hydroxy-22,23-didehydrovitamin D3 / (22E)-26,26,26,27 +1.318	MID42021:(22E)-26,26,26,27,27,27-hexafluoro-25-hydroxy-22,23-didehydrovitamin D3 / (22E)-26,26,26,27 [ C27 H36 F6 O2, overall=71.18, db=71.18, Lipid ID=LMST03020081, METLIN ID=42021 ]			MID42021:(22E)-26,26,26,27,27,27-hexafluoro-25-hydroxy-22,23-didehydrovitamin D3 / (22E)-26,26,26,27 +1.318	+	528.2414	1.318	71.18		(529.2487, 16183.25)(530.2507, 6446.3)(531.2568, 1894.91)	FindByMolecularFeature	C27 H36 F6 O2	1		LMST03020081
MID42313:1?,25-dihydroxy-24a,24b-dihomo-22-oxavitamin D3 / 1?,25-dihydroxy-24a,24b-dihomo-22-oxachol +1.042	MID42313:1?,25-dihydroxy-24a,24b-dihomo-22-oxavitamin D3 / 1?,25-dihydroxy-24a,24b-dihomo-22-oxachol [ C28 H46 O4, overall=53.60, db=53.60, Lipid ID=LMST03020381, METLIN ID=42313 ]			MID42313:1?,25-dihydroxy-24a,24b-dihomo-22-oxavitamin D3 / 1?,25-dihydroxy-24a,24b-dihomo-22-oxachol +1.042	+	463.3633	1.042	53.6		(464.3706, 1855.4)(465.3759, 812.1)	FindByMolecularFeature	C28 H46 O4	1		LMST03020381
MID42333:24,24-difluoro-1?,25-dihydroxy-26,27-dimethylvitamin D3 / 24,24-difluoro-1?,25-dihydroxy-26	MID42333:24,24-difluoro-1?,25-dihydroxy-26,27-dimethylvitamin D3 / 24,24-difluoro-1?,25-dihydroxy-26 [ C29 H46 F2 O3, overall=47.40, db=47.40, Lipid ID=LMST03020403, METLIN ID=42333 ]			MID42333:24,24-difluoro-1?,25-dihydroxy-26,27-dimethylvitamin D3 / 24,24-difluoro-1?,25-dihydroxy-26	+	480.3439	1.403	47.4		(503.3364, 883.09)(481.3491, 1000.78)	FindByMolecularFeature	C29 H46 F2 O3	1		LMST03020403
MID84215:(23S,24R,25S)-23,24-dihydroxy-spirost-5-en-3beta-yl O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-	MID84215:(23S,24R,25S)-23,24-dihydroxy-spirost-5-en-3beta-yl O-alpha-L-rhamnopyranosyl-(1-2)-beta-D- [ C40 H66 O14, overall=67.87, db=67.87, Lipid ID=LMST01080059, METLIN ID=84215 ]			MID84215:(23S,24R,25S)-23,24-dihydroxy-spirost-5-en-3beta-yl O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-	+	787.4711	2.858	67.87		(788.4784, 5049.46)(789.4818, 1943.53)	FindByMolecularFeature	C40 H66 O14	1		LMST01080059
MID84215:(23S,24R,25S)-23,24-dihydroxy-spirost-5-en-3beta-yl O-alpha-L-rhamnopyranosyl-(1-2)-beta-D- +3.072	MID84215:(23S,24R,25S)-23,24-dihydroxy-spirost-5-en-3beta-yl O-alpha-L-rhamnopyranosyl-(1-2)-beta-D- [ C40 H66 O14, overall=64.27, db=64.27, Lipid ID=LMST01080059, METLIN ID=84215 ]			MID84215:(23S,24R,25S)-23,24-dihydroxy-spirost-5-en-3beta-yl O-alpha-L-rhamnopyranosyl-(1-2)-beta-D- +3.072	+	787.4721	3.072	64.27		(788.4794, 2239.71)(789.4833, 1126.0)	FindByMolecularFeature	C40 H66 O14	1		LMST01080059
Midodrine +6.227	Midodrine [ C12 H18 N2 O4, overall=64.05, db=64.05, CAS ID=3092-17-9, KEGG ID=C07890, METLIN ID=44344 ]	3092-17-9		Midodrine +6.227	+	276.1089	6.227	64.05	C07890	(277.1162, 2503.02)(278.1191, 705.1)	FindByMolecularFeature	C12 H18 N2 O4	1
Miraxanthin-III	Miraxanthin-III [ C17 H18 N2 O5, overall=73.47, db=73.47, CAS ID=5589-85-5, KEGG ID=C08556, METLIN ID=67062 ]	5589-85-5		Miraxanthin-III	+	330.1215	1.207	73.47	C08556	(331.1287, 2727.52)(332.1385, 501.22)	FindByMolecularFeature	C17 H18 N2 O5	1
MK 886	MK 886 [ C27 H34 Cl N O2 S, overall=56.28, db=56.28, CAS ID=118427-55-7, METLIN ID=45383 ]	118427-55-7		MK 886	+	488.2272	5.663	56.28		(489.2345, 4080.62)(490.2388, 888.51)	FindByMolecularFeature	C27 H34 Cl N O2 S	1
ML-236C	ML-236C [ C18 H26 O3, overall=57.34, db=57.34, CAS ID=58889-18-2, KEGG ID=C14043, METLIN ID=69766 ]	58889-18-2		ML-236C	+	312.1692	6.366	57.34	C14043	(313.1764, 2178.96)(314.1808, 932.48)	FindByMolecularFeature	C18 H26 O3	1
Monocrotaline	Monocrotaline [ C16 H23 N O6, overall=62.03, db=62.03, CAS ID=315-22-0, KEGG ID=C10350, METLIN ID=44128 ]	315-22-0		Monocrotaline	+	325.1537	4.525	62.03	C10350	(326.161, 3299.05)(327.1637, 1033.97)	FindByMolecularFeature	C16 H23 N O6	1
Monocrotaline +4.686	Monocrotaline [ C16 H23 N O6, overall=61.83, db=61.83, CAS ID=315-22-0, KEGG ID=C10350, METLIN ID=44128 ]	315-22-0		Monocrotaline +4.686	+	325.1535	4.686	61.83	C10350	(326.1608, 2280.96)(327.1646, 712.83)	FindByMolecularFeature	C16 H23 N O6	1
Mucronine A	Mucronine A [ C29 H38 N4 O4, overall=73.54, db=73.54, CAS ID=38840-25-4, KEGG ID=C10009, METLIN ID=68088 ]	38840-25-4		Mucronine A	+	523.3147	1.442	73.54	C10009	(524.322, 4517.2)(525.3266, 1324.63)(526.3325, 754.8)	FindByMolecularFeature	C29 H38 N4 O4	1
Muscimol +6.011	Muscimol [ C4 H6 N2 O2, overall=59.95, db=59.95, CAS ID=2763-96-4, KEGG ID=C08311, METLIN ID=66902 ]	2763-96-4		Muscimol +6.011	+	114.0428	6.011	59.95	C08311	(137.0324, 2070.53)(115.05, 3847.91)(116.0522, 861.06)	FindByMolecularFeature	C4 H6 N2 O2	1
Myristic Acid Alkyne +7.699	Myristic Acid Alkyne [ C14 H24 O2, overall=75.02, db=75.02, CAS ID=82909-47-5, METLIN ID=35248 ]	82909-47-5		Myristic Acid Alkyne +7.699	+	246.1585	7.699	75.02		(247.1658, 6874.01)(248.17, 1456.01)	FindByMolecularFeature	C14 H24 O2	1
N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine +6.003	N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine [ C28 H42 N2 O3 S, overall=68.64, db=68.64, Lipid ID=LMFA08020053, METLIN ID=36721 ]			N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine +6.003	+	486.2921	6.003	68.64		(487.2994, 4227.14)(488.3015, 1403.24)	FindByMolecularFeature	C28 H42 N2 O3 S	1		LMFA08020053
N-(3S-hydroxydecanoyl)-L-serine	N-(3S-hydroxydecanoyl)-L-serine [ C13 H25 N O5, overall=55.53, db=55.53, Lipid ID=LMFA00000002, METLIN ID=45741 ]			N-(3S-hydroxydecanoyl)-L-serine	+	292.2	9.626	55.53		(293.2073, 2144.0)(294.2086, 886.23)	FindByMolecularFeature	C13 H25 N O5	1		LMFA00000002
N-(4-benzenesulfonamide) arachidonoyl amine	N-(4-benzenesulfonamide) arachidonoyl amine [ C26 H38 N2 O3 S, overall=50.97, db=50.97, Lipid ID=LMFA08020050, METLIN ID=36718 ]			N-(4-benzenesulfonamide) arachidonoyl amine	+	475.2875	3.971	50.97		(476.2948, 2098.73)(477.2919, 896.34)	FindByMolecularFeature	C26 H38 N2 O3 S	1		LMFA08020050
N(6)-(Octanoyl)lysine +6.592	N(6)-(Octanoyl)lysine [ C14 H28 N2 O3, overall=60.67, db=60.67, METLIN ID=62422, HMP ID=HMDB11684 ]			N(6)-(Octanoyl)lysine +6.592	+	272.2096	6.592	60.67		(273.2169, 1931.25)(274.2214, 624.52)	FindByMolecularFeature	C14 H28 N2 O3	1	HMDB11684
N(alpha)-Benzyloxycarbonyl-L-leucine +6.433	N(alpha)-Benzyloxycarbonyl-L-leucine [ C14 H19 N O4, overall=53.72, db=53.72, CAS ID=2018-66-8, KEGG ID=C04335, METLIN ID=66165 ]	2018-66-8		N(alpha)-Benzyloxycarbonyl-L-leucine +6.433	+	265.1327	6.433	53.72	C04335	(266.1399, 3438.1)(267.1412, 1438.64)	FindByMolecularFeature	C14 H19 N O4	1
N-(Carboxymethyl)-D-alanine +7.365	N-(Carboxymethyl)-D-alanine [ C5 H9 N O4, overall=68.32, db=68.32, KEGG ID=C03790, METLIN ID=66046 ]			N-(Carboxymethyl)-D-alanine +7.365	+	147.0532	7.365	68.32	C03790	(148.0605, 6921.07)(149.0644, 1039.49)	FindByMolecularFeature	C5 H9 N O4	1
N,N-Dihydroxy-L-phenylalanine	N,N-Dihydroxy-L-phenylalanine [ C9 H11 N O4, overall=84.91, db=84.91, KEGG ID=C19715, METLIN ID=73313 ]			N,N-Dihydroxy-L-phenylalanine	+	197.0693	2.502	84.91	C19715	(198.0776, 1699.97)(215.1029, 9761.44)(216.1062, 1275.92)	FindByMolecularFeature	C9 H11 N O4	1
N,O-Didesmethylvenlafaxine +1.245	N,O-Didesmethylvenlafaxine [ C15 H23 N O2, overall=47.44, db=47.44, CAS ID=135308-74-6, METLIN ID=3007 ]	135308-74-6		N,O-Didesmethylvenlafaxine +1.245	+	249.1698	1.245	47.44		(250.1771, 4148.79)(251.1877, 1790.03)	FindByMolecularFeature	C15 H23 N O2	1
N2-Acetyl-L-ornithine +6.064	N2-Acetyl-L-ornithine [ C7 H14 N2 O3, overall=49.11, db=49.11, CAS ID=2185-16-2, KEGG ID=C00437, METLIN ID=3303 ]	2185-16-2		N2-Acetyl-L-ornithine +6.064	+	196.0846	6.064	49.11	C00437	(197.0919, 3643.79)(198.0847, 1306.19)	FindByMolecularFeature	C7 H14 N2 O3	1
N5-(L-1-Carboxyethyl)-L-ornithine	N5-(L-1-Carboxyethyl)-L-ornithine [ C8 H16 N2 O4, overall=34.32, db=34.32, KEGG ID=C04210, METLIN ID=66140 ]			N5-(L-1-Carboxyethyl)-L-ornithine	+	204.1128	6.684	34.32	C04210	(227.1013, 827.0)(205.1201, 3280.03)(206.1275, 1211.35)(207.113, 2957.55)	FindByMolecularFeature	C8 H16 N2 O4	1
N5-Ethyl-L-glutamine	N5-Ethyl-L-glutamine [ C7 H14 N2 O3, overall=35.05, db=35.05, CAS ID=3081-61-6, KEGG ID=C01047, METLIN ID=65555 ]	3081-61-6		N5-Ethyl-L-glutamine	+	196.0845	2.152	35.05	C01047	(197.0918, 2606.37)(198.0847, 857.92)(199.0825, 583.82)	FindByMolecularFeature	C7 H14 N2 O3	1
N6-(L-1,3-Dicarboxypropyl)-L-lysine	N6-(L-1,3-Dicarboxypropyl)-L-lysine [ C11 H20 N2 O6, overall=54.17, db=54.17, CAS ID=997-68-2, KEGG ID=C00449, METLIN ID=63454 ]	997-68-2		N6-(L-1,3-Dicarboxypropyl)-L-lysine	+	276.1301	1.108	54.17	C00449	(277.1374, 5577.44)(278.1478, 1492.51)	FindByMolecularFeature	C11 H20 N2 O6	1
N6-(L-1,3-Dicarboxypropyl)-L-lysine +6.863	N6-(L-1,3-Dicarboxypropyl)-L-lysine [ C11 H20 N2 O6, overall=85.33, db=85.33, CAS ID=997-68-2, KEGG ID=C00449, METLIN ID=63454 ]	997-68-2		N6-(L-1,3-Dicarboxypropyl)-L-lysine +6.863	+	276.1323	6.863	85.33	C00449	(277.1395, 6094.94)(278.1427, 905.07)	FindByMolecularFeature	C11 H20 N2 O6	1
N8-Acetylspermidine	N8-Acetylspermidine [ C9 H21 N3 O, overall=48.13, db=48.13, CAS ID=34450-15-2, KEGG ID=C01029, METLIN ID=24072 ]	34450-15-2		N8-Acetylspermidine	+	209.1525	4.555	48.13	C01029	(210.1598, 3279.64)(211.1537, 1451.03)	FindByMolecularFeature	C9 H21 N3 O	1
N8-Acetylspermidine +9.381	N8-Acetylspermidine [ C9 H21 N3 O, overall=81.76, db=81.76, CAS ID=34450-15-2, KEGG ID=C01029, METLIN ID=24072 ]	34450-15-2		N8-Acetylspermidine +9.381	+	187.1686	9.381	81.76	C01029	(188.1759, 4750.14)(189.1794, 720.25)	FindByMolecularFeature	C9 H21 N3 O	1
N-Acetyl-8-O-methyl-Neuraminic acid	N-Acetyl-8-O-methyl-Neuraminic acid [ C12 H21 N O9, overall=68.41, db=68.41, METLIN ID=5736, HMP ID=HMDB00769 ]			N-Acetyl-8-O-methyl-Neuraminic acid	+	323.122	2.1	68.41		(324.1292, 3097.36)(325.1314, 731.5)	FindByMolecularFeature	C12 H21 N O9	1	HMDB00769
N-Acetylimidazole +4.021	N-Acetylimidazole [ C5 H6 N2 O, overall=59.02, db=59.02, CAS ID=2466-76-4, KEGG ID=C02560, METLIN ID=65788 ]	2466-76-4		N-Acetylimidazole +4.021	+	127.0744	4.021	59.02	C02560	(128.0817, 8316.65)(129.0772, 1152.1)	FindByMolecularFeature	C5 H6 N2 O	1
N-Acetylserotonin	N-Acetylserotonin [ C12 H14 N2 O2, overall=52.22, db=52.22, CAS ID=1210-83-9, KEGG ID=C00978, METLIN ID=366, HMP ID=HMDB01238 ]	1210-83-9		N-Acetylserotonin	+	218.1065	1.351	52.22	C00978	(219.1138, 4249.53)(220.1127, 1370.73)	FindByMolecularFeature	C12 H14 N2 O2	1	HMDB01238
N-Acetylvanilalanine	N-Acetylvanilalanine [ C12 H15 N O5, overall=44.42, db=44.42, METLIN ID=62449, HMP ID=HMDB11716 ]			N-Acetylvanilalanine	+	253.0962	3.492	44.42		(254.1032, 2901.56)(271.1313, 1113.03)	FindByMolecularFeature	C12 H15 N O5	1	HMDB11716
Nafoxidine +5.652	Nafoxidine [ C29 H31 N O2, overall=53.40, db=53.40, CAS ID=1845-11-0, KEGG ID=C14212, METLIN ID=69880 ]	1845-11-0		Nafoxidine +5.652	+	442.2651	5.652	53.4	C14212	(443.2723, 4352.0)(444.2761, 962.26)	FindByMolecularFeature	C29 H31 N O2	1
NBD-FTY720 phenoxy	NBD-FTY720 phenoxy [ C23 H31 N5 O6, overall=79.31, db=79.31, METLIN ID=64844 ]			NBD-FTY720 phenoxy	+	490.2546	1.475	79.31		(491.2619, 2076.5)(492.2633, 584.01)	FindByMolecularFeature	C23 H31 N5 O6	1
n-Butyl-2-cyanoacrylate	n-Butyl-2-cyanoacrylate [ C8 H11 N O2, overall=47.27, db=47.27, CAS ID=25154-80-7, KEGG ID=C13415, METLIN ID=69571 ]	25154-80-7		n-Butyl-2-cyanoacrylate	+	153.0792	1.436	47.27	C13415	(154.0865, 3995.83)(324.1919, 619.12)	FindByMolecularFeature	C8 H11 N O2	1
n-Butyl-2-cyanoacrylate +6.556	n-Butyl-2-cyanoacrylate [ C8 H11 N O2, overall=44.86, db=44.86, CAS ID=25154-80-7, KEGG ID=C13415, METLIN ID=69571 ]	25154-80-7		n-Butyl-2-cyanoacrylate +6.556	+	153.0798	6.556	44.86	C13415	(154.0871, 3239.09)(155.0818, 934.54)	FindByMolecularFeature	C8 H11 N O2	1
N-Butylscopolamine metabolite	N-Butylscopolamine metabolite [ C12 H22 N O2, overall=59.89, db=59.89, CAS ID=, METLIN ID=2399 ]			N-Butylscopolamine metabolite	+	211.1572	1.366	59.89		(445.3049, 944.64)(212.1644, 3091.29)(213.1667, 955.15)	FindByMolecularFeature	C12 H22 N O2	1
N-cis-tetradec-9Z-enoyl-L-Homoserine lactone	N-cis-tetradec-9Z-enoyl-L-Homoserine lactone [ C18 H31 N O3, overall=31.81, db=31.81, METLIN ID=64725 ]			N-cis-tetradec-9Z-enoyl-L-Homoserine lactone	+	309.2274	1.235	31.81		(332.2138, 725.95)(310.2353, 1873.06)	FindByMolecularFeature	C18 H31 N O3	1
N-depyridomethyl-Indinavir	N-depyridomethyl-Indinavir [ C30 H42 N4 O4, overall=59.38, db=59.38, CAS ID=150323-38-9, METLIN ID=822 ]	150323-38-9		N-depyridomethyl-Indinavir	+	272.1504	1.418	59.38		(273.1569, 755.68)(545.3095, 1016.14)(546.3132, 715.53)	FindByMolecularFeature	C30 H42 N4 O4	1
N-Desmethyltolmetin	N-Desmethyltolmetin [ C14 H13 N O3, overall=22.33, db=22.33, CAS ID=83263-12-1, METLIN ID=2872 ]	83263-12-1		N-Desmethyltolmetin	+	243.0912	6.056	22.33		(244.0974, 1640.2)(245.11, 635.88)(261.1261, 1179.05)	FindByMolecularFeature	C14 H13 N O3	1
N-D-Ribosylpurine +2.919	N-D-Ribosylpurine [ C10 H12 N4 O4, overall=47.43, db=47.43, KEGG ID=C15586, METLIN ID=70974 ]			N-D-Ribosylpurine +2.919	+	274.0674	2.919	47.43	C15586	(275.0747, 2014.34)(276.0838, 601.2)	FindByMolecularFeature	C10 H12 N4 O4	1
Neocnidilide	Neocnidilide [ C12 H18 O2, overall=75.68, db=75.68, CAS ID=4567-33-3, KEGG ID=C17002, METLIN ID=71493 ]	4567-33-3		Neocnidilide	+	216.1114	4.032	75.68	C17002	(217.1186, 3070.89)(218.1275, 388.38)	FindByMolecularFeature	C12 H18 O2	1
Neolinderatone	Neolinderatone [ C35 H44 O4, overall=72.29, db=72.29, Lipid ID=LMPK12140211, METLIN ID=52700 ]			Neolinderatone	+	528.3246	2.596	72.29		(529.3319, 4426.85)(530.3364, 1385.22)	FindByMolecularFeature	C35 H44 O4	1		LMPK12140211
Neostigmine	Neostigmine [ C12 H19 N2 O2, overall=50.02, db=50.02, CAS ID=59-99-4, KEGG ID=C07258, METLIN ID=1490 ]	59-99-4		Neostigmine	+	222.1371	6.57	50.02	C07258	(223.1443, 15534.05)(224.1412, 4296.11)(240.1741, 1072.17)	FindByMolecularFeature	C12 H19 N2 O2	1
NeuAcalpha2-3Galbeta-Cer(d18:1/26:1(17Z))	NeuAcalpha2-3Galbeta-Cer(d18:1/26:1(17Z)) [ C61 H112 N2 O16, overall=54.49, db=54.49, Lipid ID=LMSP0601AA08, METLIN ID=56054 ]			NeuAcalpha2-3Galbeta-Cer(d18:1/26:1(17Z))	+	1150.7834	5.699	54.49		(1151.7908, 1907.18)(1152.789, 858.72)	FindByMolecularFeature	C61 H112 N2 O16	1		LMSP0601AA08
N-Guanylhistamine	N-Guanylhistamine [ C6 H11 N5, overall=53.03, db=53.03, CAS ID=18431-51-1, KEGG ID=C07454, METLIN ID=66650 ]	18431-51-1		N-Guanylhistamine	+	153.1024	5.536	53.03	C07454	(154.1097, 5702.27)(155.1181, 451.83)(156.1106, 789.85)	FindByMolecularFeature	C6 H11 N5	1
N-Guanylhistamine +5.958	N-Guanylhistamine [ C6 H11 N5, overall=46.53, db=46.53, CAS ID=18431-51-1, KEGG ID=C07454, METLIN ID=66650 ]	18431-51-1		N-Guanylhistamine +5.958	+	175.0848	5.958	46.53	C07454	(198.0761, 1865.26)(176.0911, 3418.13)	FindByMolecularFeature	C6 H11 N5	1
NH-DVal(NMe)-Val-OMe +5.679	NH-DVal(NMe)-Val-OMe [ C12 H24 N2 O3, overall=61.08, db=61.08, METLIN ID=65477 ]			NH-DVal(NMe)-Val-OMe +5.679	+	244.179	5.679	61.08		(245.1863, 3886.16)(246.1862, 958.36)	FindByMolecularFeature	C12 H24 N2 O3	1
NH-DVal(NMe)-Val-OMe +8.442	NH-DVal(NMe)-Val-OMe [ C12 H24 N2 O3, overall=72.88, db=72.88, METLIN ID=65477 ]			NH-DVal(NMe)-Val-OMe +8.442	+	244.179	8.442	72.88		(245.1863, 5148.58)(246.1906, 1046.33)(247.1922, 743.01)	FindByMolecularFeature	C12 H24 N2 O3	1
N-heptanoyl-homoserine lactone	N-heptanoyl-homoserine lactone [ C11 H19 N O3, overall=87.77, db=87.77, CAS ID=177158-20-2, KEGG ID=C11844, METLIN ID=36736 ]	177158-20-2		N-heptanoyl-homoserine lactone	+	213.1372	1.378	87.77	C11844	(214.1445, 32515.28)(215.1472, 6192.58)(216.1513, 1028.13)	FindByMolecularFeature	C11 H19 N O3	1
N-Histidyl-2-Aminonaphthalene (?NA)	N-Histidyl-2-Aminonaphthalene (?NA) [ C16 H16 N4 O, overall=76.80, db=76.80, CAS ID=7424-15-9, METLIN ID=44316 ]	7424-15-9		N-Histidyl-2-Aminonaphthalene (?NA)	+	280.1316	1.105	76.8		(281.1388, 5316.65)(282.1497, 953.84)	FindByMolecularFeature	C16 H16 N4 O	1
N-Hydroxy-L-phenylalanine +1.236	N-Hydroxy-L-phenylalanine [ C9 H11 N O3, overall=48.25, db=48.25, KEGG ID=C19712, METLIN ID=73312 ]			N-Hydroxy-L-phenylalanine +1.236	+	181.0744	1.236	48.25	C19712	(182.0817, 6186.89)(183.08, 2005.43)	FindByMolecularFeature	C9 H11 N O3	1
N-Hydroxy-L-phenylalanine +1.965	N-Hydroxy-L-phenylalanine [ C9 H11 N O3, overall=61.66, db=61.66, KEGG ID=C19712, METLIN ID=73312 ]			N-Hydroxy-L-phenylalanine +1.965	+	198.101	1.965	61.66	C19712	(199.1083, 4544.32)(200.1169, 729.53)	FindByMolecularFeature	C9 H11 N O3	1
N-Hydroxy-L-phenylalanine +3.58	N-Hydroxy-L-phenylalanine [ C9 H11 N O3, overall=56.19, db=56.19, KEGG ID=C19712, METLIN ID=73312 ]			N-Hydroxy-L-phenylalanine +3.58	+	181.0744	3.58	56.19	C19712	(182.0817, 5082.21)(183.0832, 1477.24)	FindByMolecularFeature	C9 H11 N O3	1
N-Hydroxy-L-phenylalanine +8.614	N-Hydroxy-L-phenylalanine [ C9 H11 N O3, overall=38.68, db=38.68, KEGG ID=C19712, METLIN ID=73312 ]			N-Hydroxy-L-phenylalanine +8.614	+	181.0742	8.614	38.68	C19712	(182.0815, 3063.62)(183.0912, 836.32)	FindByMolecularFeature	C9 H11 N O3	1
N-Hydroxyl-tryptamine	N-Hydroxyl-tryptamine [ C10 H12 N2 O, overall=43.99, db=43.99, CAS ID=, KEGG ID=C17203, METLIN ID=63561 ]			N-Hydroxyl-tryptamine	+	198.0761	2.388	43.99	C17203	(199.0834, 2072.79)(200.0935, 759.03)	FindByMolecularFeature	C10 H12 N2 O	1
Nicotinamide riboside +6.307	Nicotinamide riboside [ C11 H15 N2 O5, overall=47.36, db=47.36, CAS ID=1341-23-7, KEGG ID=C03150, METLIN ID=5818, HMP ID=HMDB00855 ]	1341-23-7		Nicotinamide riboside +6.307	+	232.1081	6.307	47.36	C03150	(255.0978, 2761.32)(233.1145, 1518.64)	FindByMolecularFeature	C11 H15 N2 O5	1	HMDB00855
Nigakilactone A	Nigakilactone A [ C21 H30 O6, overall=29.77, db=29.77, KEGG ID=C17012, METLIN ID=71501 ]			Nigakilactone A	+	378.207	1.343	29.77	C17012	(379.2143, 2163.76)(380.2208, 888.58)	FindByMolecularFeature	C21 H30 O6	1
Nizatidine	Nizatidine [ C12 H21 N5 O2 S2, overall=73.05, db=73.05, CAS ID=76963-41-2, KEGG ID=C07270, METLIN ID=1586 ]	76963-41-2		Nizatidine	+	331.1131	1.071	73.05	C07270	(332.1204, 3016.68)(333.1199, 601.56)(334.1177, 663.95)	FindByMolecularFeature	C12 H21 N5 O2 S2	1
N-Nitrosodiethylamine +6.187	N-Nitrosodiethylamine [ C4 H10 N2 O, overall=64.70, db=64.70, CAS ID=55-18-5, KEGG ID=C14422, METLIN ID=70049 ]	55-18-5		N-Nitrosodiethylamine +6.187	+	102.0793	6.187	64.7	C14422	(103.0865, 5475.44)(104.089, 943.87)	FindByMolecularFeature	C4 H10 N2 O	1
N-Nitroso-N-ethylurea	N-Nitroso-N-ethylurea [ C3 H7 N3 O2, overall=47.62, db=47.62, CAS ID=759-73-9, KEGG ID=C19178, METLIN ID=72910 ]	759-73-9		N-Nitroso-N-ethylurea	+	117.0537	6.865	47.62	C19178	(257.0951, 591.05)(118.0611, 4714.02)	FindByMolecularFeature	C3 H7 N3 O2	1
N-nonanoyl-L-Homoserine lactone +7.087	N-nonanoyl-L-Homoserine lactone [ C13 H23 N O3, overall=72.55, db=72.55, CAS ID=177158-21-3, METLIN ID=45725 ]	177158-21-3		N-nonanoyl-L-Homoserine lactone +7.087	+	258.1943	7.087	72.55		(259.2016, 3837.48)(260.1978, 641.0)	FindByMolecularFeature	C13 H23 N O3	1
Nobilin	Nobilin [ C20 H26 O5, overall=73.86, db=73.86, CAS ID=31824-11-0, KEGG ID=C09518, METLIN ID=67770 ]	31824-11-0		Nobilin	+	368.1591	1.275	73.86	C09518	(369.1663, 2447.96)(370.1743, 601.11)	FindByMolecularFeature	C20 H26 O5	1
N-oleoyl isoleucine	N-oleoyl isoleucine [ C24 H45 N O3, overall=29.34, db=29.34, Lipid ID=LMFA08020113, METLIN ID=75495 ]			N-oleoyl isoleucine	+	412.3693	1.072	29.34		(413.3766, 1849.84)(414.3678, 545.86)(415.3627, 557.0)	FindByMolecularFeature	C24 H45 N O3	1		LMFA08020113
Nordihydrocodeine +1.438	Nordihydrocodeine [ C17 H21 N O3, overall=80.39, db=80.39, CAS ID=845-69-2, METLIN ID=2094 ]	845-69-2		Nordihydrocodeine +1.438	+	304.1787	1.438	80.39		(305.186, 7567.3)(306.1896, 1840.83)	FindByMolecularFeature	C17 H21 N O3	1
Nordihydrocodeine +1.593	Nordihydrocodeine [ C17 H21 N O3, overall=82.88, db=82.88, CAS ID=845-69-2, METLIN ID=2094 ]	845-69-2		Nordihydrocodeine +1.593	+	304.1785	1.593	82.88		(305.1858, 6614.43)(306.1896, 1494.64)	FindByMolecularFeature	C17 H21 N O3	1
Nordihydrocodeine +1.631	Nordihydrocodeine [ C17 H21 N O3, overall=96.27, db=96.27, CAS ID=845-69-2, METLIN ID=2094 ]	845-69-2		Nordihydrocodeine +1.631	+	304.1787	1.631	96.27		(305.1859, 10582.65)(306.1892, 2172.53)(307.1925, 629.06)	FindByMolecularFeature	C17 H21 N O3	1
Nordihydrocodeine +2.405	Nordihydrocodeine [ C17 H21 N O3, overall=67.54, db=67.54, CAS ID=845-69-2, METLIN ID=2094 ]	845-69-2		Nordihydrocodeine +2.405	+	304.1785	2.405	67.54		(305.1858, 3108.4)(306.1906, 924.66)	FindByMolecularFeature	C17 H21 N O3	1
Noruron +6.676	Noruron [ C13 H22 N2 O, overall=54.48, db=54.48, CAS ID=18530-56-8, KEGG ID=C19111, METLIN ID=72853 ]	18530-56-8		Noruron +6.676	+	244.1529	6.676	54.48	C19111	(245.1601, 3457.06)(246.1669, 816.91)	FindByMolecularFeature	C13 H22 N2 O	1
N-palmitoyl alanine	N-palmitoyl alanine [ C19 H37 N O3, overall=57.85, db=57.85, Lipid ID=LMFA08020123, METLIN ID=75505 ]			N-palmitoyl alanine	+	327.278	1.077	57.85		(328.2852, 2286.76)(329.2849, 802.36)	FindByMolecularFeature	C19 H37 N O3	1		LMFA08020123
N-palmitoyl glutamine	N-palmitoyl glutamine [ C21 H40 N2 O4, overall=36.65, db=36.65, Lipid ID=LMFA08020127, METLIN ID=75509 ]			N-palmitoyl glutamine	+	401.325	1.115	36.65		(402.3323, 1633.18)(403.3282, 735.52)	FindByMolecularFeature	C21 H40 N2 O4	1		LMFA08020127
N-palmitoyl threonine	N-palmitoyl threonine [ C20 H39 N O4, overall=58.92, db=58.92, Lipid ID=LMFA08020107, METLIN ID=75489 ]			N-palmitoyl threonine	+	357.287	5.275	58.92		(358.2943, 2603.31)(359.2983, 1162.63)	FindByMolecularFeature	C20 H39 N O4	1		LMFA08020107
N-Phenyl-2-naphthylamine	N-Phenyl-2-naphthylamine [ C16 H13 N, overall=52.60, db=52.60, CAS ID=135-88-6, KEGG ID=C14694, METLIN ID=70267 ]	135-88-6		N-Phenyl-2-naphthylamine	+	219.1032	1.329	52.6	C14694	(220.1105, 2367.94)(221.1135, 804.34)	FindByMolecularFeature	C16 H13 N	1
N-stearoyl GABA	N-stearoyl GABA [ C22 H43 N O3, overall=79.47, db=79.47, Lipid ID=LMFA08020106, METLIN ID=75488 ]			N-stearoyl GABA	+	391.3073	1.059	79.47		(392.3145, 7637.81)(393.3172, 2115.07)	FindByMolecularFeature	C22 H43 N O3	1		LMFA08020106
NVP-AEW541	NVP-AEW541 [ C27 H29 N5 O, overall=67.36, db=67.36, METLIN ID=45579 ]			NVP-AEW541	+	439.237	4.324	67.36		(440.2443, 2246.36)(441.2468, 980.76)	FindByMolecularFeature	C27 H29 N5 O	1
O-?-D-Xylosylzeatin +6.123	O-?-D-Xylosylzeatin [ C15 H21 N5 O5, overall=73.06, db=73.06, CAS ID=, KEGG ID=C03300, METLIN ID=64089 ]			O-?-D-Xylosylzeatin +6.123	+	351.1545	6.123	73.06	C03300	(352.1618, 2896.38)(353.1647, 781.25)	FindByMolecularFeature	C15 H21 N5 O5	1
O-Acetylserine	O-Acetylserine [ C13 H21 N2 O7 P S, overall=58.92, db=58.92, METLIN ID=6809, HMP ID=HMDB03011 ]			O-Acetylserine	+	380.0799	1.646	58.92		(381.0872, 2155.36)(382.0899, 703.67)	FindByMolecularFeature	C13 H21 N2 O7 P S	1	HMDB03011
Olanzapine +4.129	Olanzapine [ C17 H20 N4 S, overall=38.69, db=38.69, CAS ID=132539-06-1, KEGG ID=C07322, METLIN ID=58286, HMP ID=HMDB05012 ]	132539-06-1		Olanzapine +4.129	+	312.1423	4.129	38.69	C07322	(313.1491, 1344.95)(330.1764, 1590.33)	FindByMolecularFeature	C17 H20 N4 S	1	HMDB05012
Olanzapine +4.208	Olanzapine [ C17 H20 N4 S, overall=68.55, db=68.55, CAS ID=132539-06-1, KEGG ID=C07322, METLIN ID=58286, HMP ID=HMDB05012 ]	132539-06-1		Olanzapine +4.208	+	334.1244	4.208	68.55	C07322	(335.1316, 4377.62)(336.1349, 759.68)	FindByMolecularFeature	C17 H20 N4 S	1	HMDB05012
Oleandrose	Oleandrose [ C7 H14 O4, overall=47.99, db=47.99, CAS ID=6786-76-1, KEGG ID=C08237, METLIN ID=66856 ]	6786-76-1		Oleandrose	+	179.1155	6.272	47.99	C08237	(180.1228, 3274.02)(181.1314, 814.71)	FindByMolecularFeature	C7 H14 O4	1
Ondansetron	Ondansetron [ C18 H19 N3 O, overall=46.66, db=46.66, CAS ID=99614-02-5, KEGG ID=C07325, METLIN ID=1646, HMP ID=HMDB05035 ]	99614-02-5		Ondansetron	+	310.1828	8.696	46.66	C07325	(311.1901, 1905.57)(312.1926, 568.12)	FindByMolecularFeature	C18 H19 N3 O	1	HMDB05035
Ornithine	Ornithine [ C5 H12 N2 O2, overall=46.20, db=46.20, CAS ID=70-26-8, KEGG ID=C01602, METLIN ID=27, HMP ID=HMDB00214 ]	70-26-8		Ornithine	+	154.074	6.073	46.2	C01602	(155.0813, 4083.24)(156.0773, 937.15)	FindByMolecularFeature	C5 H12 N2 O2	1	HMDB00214
Orsellinic acid +1.7	Orsellinic acid [ C8 H8 O4, overall=57.52, db=57.52, Lipid ID=LMPK13010001, CAS ID=480-64-8, KEGG ID=C01839, METLIN ID=41017 ]	480-64-8		Orsellinic acid +1.7	+	185.0693	1.7	57.52	C01839	(186.0766, 3342.0)(187.0812, 754.96)	FindByMolecularFeature	C8 H8 O4	1		LMPK13010001
Oxethazaine	Oxethazaine [ C28 H41 N3 O3, overall=60.65, db=60.65, CAS ID=126-27-2, KEGG ID=C12552, METLIN ID=44658 ]	126-27-2		Oxethazaine	+	467.3171	1.334	60.65	C12552	(468.3243, 1446.88)(469.3195, 516.47)(470.3304, 857.1)	FindByMolecularFeature	C28 H41 N3 O3	1
Oxidized dinoflagellate luciferin	Oxidized dinoflagellate luciferin [ C33 H38 N4 O7, overall=63.77, db=63.77, KEGG ID=C19705, METLIN ID=73309 ]			Oxidized dinoflagellate luciferin	+	602.274	1.41	63.77	C19705	(603.2813, 1585.1)(604.2846, 823.86)	FindByMolecularFeature	C33 H38 N4 O7	1
Oxidized Latia luciferin +8.955	Oxidized Latia luciferin [ C13 H22 O, overall=66.78, db=66.78, KEGG ID=C03527, METLIN ID=65996 ]			Oxidized Latia luciferin +8.955	+	216.1476	8.955	66.78	C03527	(217.1549, 5020.57)(218.1613, 1040.21)	FindByMolecularFeature	C13 H22 O	1
PA(14:0/12:0)	PA(14:0/12:0) [ C29 H57 O8 P, overall=72.58, db=72.58, Lipid ID=LMGP10010933, METLIN ID=82099 ]			PA(14:0/12:0)	+	586.3595	4.204	72.58		(587.3668, 4425.36)(588.3703, 1149.76)	FindByMolecularFeature	C29 H57 O8 P	1		LMGP10010933
PA(18:2(9Z,12Z)/0:0)	PA(18:2(9Z,12Z)/0:0) [ C21 H39 O7 P, overall=42.50, db=42.50, Lipid ID=LMGP10050017, METLIN ID=82336 ]			PA(18:2(9Z,12Z)/0:0)	+	442.7576	5.955	42.5		(443.7652, 768.04)(886.522, 1129.82)	FindByMolecularFeature	C21 H39 O7 P	1		LMGP10050017
PA(18:2(9Z,12Z)/12:0)	PA(18:2(9Z,12Z)/12:0) [ C33 H61 O8 P, overall=69.81, db=69.81, Lipid ID=LMGP10010338, METLIN ID=81504 ]			PA(18:2(9Z,12Z)/12:0)	+	638.3911	3.981	69.81		(639.3984, 3145.48)(640.4011, 1226.79)	FindByMolecularFeature	C33 H61 O8 P	1		LMGP10010338
PA(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	PA(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C43 H73 O7 P, overall=61.33, db=61.33, Lipid ID=LMGP10030090, METLIN ID=82330 ]			PA(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	+	732.5103	5.223	61.33		(733.5176, 1394.17)(734.5179, 737.82)	FindByMolecularFeature	C43 H73 O7 P	1		LMGP10030090
Palmityl Trifluoromethyl Ketone	Palmityl Trifluoromethyl Ketone [ C17 H31 F3 O, overall=60.04, db=60.04, CAS ID=141022-99-3, METLIN ID=63017 ]	141022-99-3		Palmityl Trifluoromethyl Ketone	+	330.2153	6.376	60.04		(331.2226, 1655.08)(332.2244, 588.57)	FindByMolecularFeature	C17 H31 F3 O	1
Palmityl Trifluoromethyl Ketone +1.11	Palmityl Trifluoromethyl Ketone [ C17 H31 F3 O, overall=45.07, db=45.07, CAS ID=141022-99-3, METLIN ID=63017 ]	141022-99-3		Palmityl Trifluoromethyl Ketone +1.11	+	308.2353	1.11	45.07		(331.2272, 831.65)(309.244, 1019.54)(326.2674, 1462.83)	FindByMolecularFeature	C17 H31 F3 O	1
Pargyline +5.717	Pargyline [ C11 H13 N, overall=31.20, db=31.20, CAS ID=306-07-0, KEGG ID=C07414, METLIN ID=44165 ]	306-07-0		Pargyline +5.717	+	159.1065	5.717	31.2	C07414	(182.0959, 1643.58)(160.1137, 1427.87)	FindByMolecularFeature	C11 H13 N	1
Patuletin 3-(2''-feruloylglucosyl)-(1-6)-[apiosyl-(1-2)-glucoside]	Patuletin 3-(2''-feruloylglucosyl)-(1-6)-[apiosyl-(1-2)-glucoside] [ C43 H48 O25, overall=52.97, db=52.97, Lipid ID=LMPK12112963, METLIN ID=51375 ]			Patuletin 3-(2''-feruloylglucosyl)-(1-6)-[apiosyl-(1-2)-glucoside]	+	986.2339	1.011	52.97		(987.2411, 2666.31)(988.2372, 1430.08)	FindByMolecularFeature	C43 H48 O25	1		LMPK12112963
p-Coumaroylputrescine	p-Coumaroylputrescine [ C13 H18 N2 O2, overall=56.32, db=56.32, CAS ID=34136-53-3, KEGG ID=C18326, METLIN ID=72157 ]	34136-53-3		p-Coumaroylputrescine	+	234.137	6.387	56.32	C18326	(235.1443, 2505.81)(236.1485, 1194.97)	FindByMolecularFeature	C13 H18 N2 O2	1
PE(16:1(9Z)/0:0) +6.076	PE(16:1(9Z)/0:0) [ C21 H42 N O7 P, overall=82.63, db=82.63, Lipid ID=LMGP02050010, METLIN ID=77676 ]			PE(16:1(9Z)/0:0) +6.076	+	451.2703	6.076	82.63		(452.2775, 5507.25)(453.2806, 1184.14)	FindByMolecularFeature	C21 H42 N O7 P	1		LMGP02050010
PE(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) +7.587	PE(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) [ C43 H70 N O8 P, overall=62.13, db=62.13, KEGG ID=C00350, METLIN ID=60789, HMP ID=HMDB09393 ]			PE(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) +7.587	+	781.4671	7.587	62.13	C00350	(782.4744, 4106.97)(783.4793, 1397.12)	FindByMolecularFeature	C43 H70 N O8 P	1	HMDB09393
PE(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	PE(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) [ C25 H42 N O7 P, overall=66.25, db=66.25, Lipid ID=LMGP02050027, METLIN ID=77693 ]			PE(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	+	516.2947	2.536	66.25		(517.302, 2173.55)(518.3063, 806.09)	FindByMolecularFeature	C25 H42 N O7 P	1		LMGP02050027
PE(20:5(5Z,8Z,11Z,14Z,17Z)/15:1(9Z))	PE(20:5(5Z,8Z,11Z,14Z,17Z)/15:1(9Z)) [ C40 H68 N O8 P, overall=70.89, db=70.89, Lipid ID=LMGP02010967, METLIN ID=77202 ]			PE(20:5(5Z,8Z,11Z,14Z,17Z)/15:1(9Z))	+	743.4453	2.476	70.89		(744.4526, 4862.26)(745.456, 2051.74)(746.4583, 780.17)	FindByMolecularFeature	C40 H68 N O8 P	1		LMGP02010967
PE(20:5(5Z,8Z,11Z,14Z,17Z)/15:1(9Z)) +2.706	PE(20:5(5Z,8Z,11Z,14Z,17Z)/15:1(9Z)) [ C40 H68 N O8 P, overall=39.69, db=39.69, Lipid ID=LMGP02010967, METLIN ID=77202 ]			PE(20:5(5Z,8Z,11Z,14Z,17Z)/15:1(9Z)) +2.706	+	743.4448	2.706	39.69		(744.452, 1632.81)(745.4567, 883.87)	FindByMolecularFeature	C40 H68 N O8 P	1		LMGP02010967
PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) +5.378	PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) [ C43 H68 N O8 P, overall=65.28, db=65.28, Lipid ID=LMGP02010977, METLIN ID=77212 ]			PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) +5.378	+	779.4505	5.378	65.28		(780.4577, 4779.02)(781.4603, 1547.9)	FindByMolecularFeature	C43 H68 N O8 P	1		LMGP02010977
PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) [ C45 H70 N O8 P, overall=93.15, db=93.15, Lipid ID=LMGP02010985, METLIN ID=77220 ]			PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	+	391.7415	5.657	93.15		(392.7479, 1282.04)(784.491, 3568.75)(785.493, 1912.25)(786.4982, 692.73)	FindByMolecularFeature	C45 H70 N O8 P	1		LMGP02010985
PE(9:0/9:0)[U] +6.409	PE(9:0/9:0)[U] [ C23 H46 N O8 P, overall=59.72, db=59.72, Lipid ID=LMGP02010285, METLIN ID=40682 ]			PE(9:0/9:0)[U] +6.409	+	495.2969	6.409	59.72		(496.3042, 8035.08)(497.3072, 658.77)	FindByMolecularFeature	C23 H46 N O8 P	1		LMGP02010285
Penciclovir	Penciclovir [ C10 H15 N5 O3, overall=50.32, db=50.32, CAS ID=39809-25-1, KEGG ID=C07417, METLIN ID=2651 ]	39809-25-1		Penciclovir	+	253.1185	1.695	50.32	C07417	(254.1258, 2133.3)(255.1236, 788.89)	FindByMolecularFeature	C10 H15 N5 O3	1
Pentahomomethionine	Pentahomomethionine [ C10 H21 N O2 S, overall=44.62, db=44.62, CAS ID=, KEGG ID=C17229, METLIN ID=64511 ]			Pentahomomethionine	+	219.1311	6.534	44.62	C17229	(220.1374, 1008.02)(439.2713, 910.16)	FindByMolecularFeature	C10 H21 N O2 S	1
Perflubron +5.657	Perflubron [ C8 Br F17, overall=43.13, db=43.13, CAS ID=, METLIN ID=43303 ]			Perflubron +5.657	+	497.8944	5.657	43.13		(498.9016, 9528.96)(499.9045, 932.35)	FindByMolecularFeature	C8 Br F17	1
PF-622	PF-622 [ C21 H22 N4 O, overall=76.26, db=76.26, CAS ID=898235-65-9, METLIN ID=64709 ]	898235-65-9		PF-622	+	346.1782	3.202	76.26		(347.1855, 4315.15)(348.19, 1253.09)	FindByMolecularFeature	C21 H22 N4 O	1
PG(12:0/20:4(5Z,8Z,11Z,14Z))	PG(12:0/20:4(5Z,8Z,11Z,14Z)) [ C38 H67 O10 P, overall=65.97, db=65.97, Lipid ID=LMGP04010062, METLIN ID=78887 ]			PG(12:0/20:4(5Z,8Z,11Z,14Z))	+	736.4279	5.218	65.97		(737.4352, 3465.37)(738.4387, 1018.43)	FindByMolecularFeature	C38 H67 O10 P	1		LMGP04010062
PG(20:5(5Z,8Z,11Z,14Z,17Z)/20:0)	PG(20:5(5Z,8Z,11Z,14Z,17Z)/20:0) [ C46 H81 O10 P, overall=44.00, db=44.00, Lipid ID=LMGP04010666, METLIN ID=79491 ]			PG(20:5(5Z,8Z,11Z,14Z,17Z)/20:0)	+	824.5571	1.838	44		(825.5693, 1063.25)(826.5725, 1034.74)(842.5887, 1803.51)	FindByMolecularFeature	C46 H81 O10 P	1		LMGP04010666
PG(22:2(13Z,16Z)/0:0)	PG(22:2(13Z,16Z)/0:0) [ C28 H53 O9 P, overall=53.07, db=53.07, Lipid ID=LMGP04050027, METLIN ID=80015 ]			PG(22:2(13Z,16Z)/0:0)	+	564.3463	4.015	53.07		(565.3536, 6296.68)(566.3574, 1349.35)	FindByMolecularFeature	C28 H53 O9 P	1		LMGP04050027
PG(O-20:0/0:0)	PG(O-20:0/0:0) [ C26 H55 O8 P, overall=45.00, db=45.00, Lipid ID=LMGP04060001, METLIN ID=80025 ]			PG(O-20:0/0:0)	+	274.1706	1.318	45		(275.1764, 848.13)(549.3515, 1024.35)	FindByMolecularFeature	C26 H55 O8 P	1		LMGP04060001
Phe Ala Thr	Phe Ala Thr [ C16 H23 N3 O5, overall=69.74, db=69.74, METLIN ID=16497 ]			Phe Ala Thr	+	354.191	6.156	69.74		(355.1983, 2347.4)(356.2006, 679.94)	FindByMolecularFeature	C16 H23 N3 O5	1
Phe Leu Glu	Phe Leu Glu [ C20 H29 N3 O6, overall=82.58, db=82.58, METLIN ID=16696 ]			Phe Leu Glu	+	212.1166	6.177	82.58		(213.125, 1025.09)(425.2396, 3843.5)(426.2416, 849.98)	FindByMolecularFeature	C20 H29 N3 O6	1
Phe Leu Glu +6.177	Phe Leu Glu [ C20 H29 N3 O6, overall=80.90, db=80.90, METLIN ID=16696 ]			Phe Leu Glu +6.177	+	424.2319	6.177	80.9		(425.2392, 3364.48)(426.2419, 889.19)	FindByMolecularFeature	C20 H29 N3 O6	1
Phenformin +1.794	Phenformin [ C10 H15 N5, overall=44.34, db=44.34, CAS ID=114-86-3, KEGG ID=C07673, METLIN ID=66713 ]	114-86-3		Phenformin +1.794	+	205.1319	1.794	44.34	C07673	(206.1392, 2555.68)(207.1515, 748.33)	FindByMolecularFeature	C10 H15 N5	1
Phenicarbazide	Phenicarbazide [ C7 H9 N3 O, overall=70.36, db=70.36, CAS ID=103-03-7, KEGG ID=C19498, METLIN ID=73190 ]	103-03-7		Phenicarbazide	+	151.0749	7.866	70.36	C19498	(152.0821, 10155.91)(153.0805, 1425.98)	FindByMolecularFeature	C7 H9 N3 O	1
Phenmedipham +1.451	Phenmedipham [ C16 H16 N2 O4, overall=83.54, db=83.54, CAS ID=13684-63-4, KEGG ID=C18420, METLIN ID=72228 ]	13684-63-4		Phenmedipham +1.451	+	300.1121	1.451	83.54	C18420	(323.1024, 1149.56)(301.1191, 9898.99)(302.1216, 1873.77)(318.1461, 5028.36)(319.1567, 1847.21)	FindByMolecularFeature	C16 H16 N2 O4	1
Phenylacetylglycine dimethylamide	Phenylacetylglycine dimethylamide [ C12 H16 N2 O2, overall=42.52, db=42.52, CAS ID=3738-06-5, KEGG ID=C12958, METLIN ID=69515 ]	6/5/3738		Phenylacetylglycine dimethylamide	+	237.1483	8.591	42.52	C12958	(238.1556, 4657.42)(239.1623, 1564.83)	FindByMolecularFeature	C12 H16 N2 O2	1
Phenylheptatriyne	Phenylheptatriyne [ C13 H8, overall=78.47, db=78.47, CAS ID=4300-27-0, KEGG ID=C08456, METLIN ID=66990 ]	4300-27-0		Phenylheptatriyne	+	181.089	5.677	78.47	C08456	(182.0962, 6842.04)(183.103, 970.13)	FindByMolecularFeature	C13 H8	1
Phorbol 12-tiglate 13-decanoate	Phorbol 12-tiglate 13-decanoate [ C35 H52 O8, overall=59.85, db=59.85, CAS ID=59086-92-9, KEGG ID=C09157, METLIN ID=67472 ]	59086-92-9		Phorbol 12-tiglate 13-decanoate	+	600.3657	8.166	59.85	C09157	(601.373, 5858.05)(602.3764, 869.5)	FindByMolecularFeature	C35 H52 O8	1
p-Hydroxybenzyldesulphoglucosinolate	p-Hydroxybenzyldesulphoglucosinolate [ C14 H19 N O7 S, overall=68.09, db=68.09, CAS ID=, KEGG ID=C17240, METLIN ID=64527 ]			p-Hydroxybenzyldesulphoglucosinolate	+	345.0884	1.704	68.09	C17240	(346.0957, 5272.66)(347.1, 1154.58)	FindByMolecularFeature	C14 H19 N O7 S	1
p-Hydroxydextroamphetamine	p-Hydroxydextroamphetamine [ C9 H13 N O, overall=51.12, db=51.12, CAS ID=103-86-6, METLIN ID=1962 ]	103-86-6		p-Hydroxydextroamphetamine	+	151.1021	4.683	51.12		(174.0915, 21573.65)(175.0948, 3576.55)(152.1084, 4101.56)(153.1036, 980.39)	FindByMolecularFeature	C9 H13 N O	1
Phyllalbine	Phyllalbine [ C16 H21 N O4, overall=63.98, db=63.98, CAS ID=4540-25-4, KEGG ID=C10863, METLIN ID=68639 ]	4540-25-4		Phyllalbine	+	291.1475	1.399	63.98	C10863	(292.1547, 4883.04)(293.1604, 1327.7)	FindByMolecularFeature	C16 H21 N O4	1
Phytophthora mating hormone alpha1	Phytophthora mating hormone alpha1 [ C20 H40 O4, overall=41.66, db=41.66, METLIN ID=53582 ]			Phytophthora mating hormone alpha1	+	344.2916	1.392	41.66		(367.2814, 1238.16)(345.2985, 2337.42)	FindByMolecularFeature	C20 H40 O4	1
PI(12:0/12:0) +1.555	PI(12:0/12:0) [ C33 H63 O13 P, overall=83.54, db=83.54, Lipid ID=LMGP06010962, METLIN ID=80984 ]			PI(12:0/12:0) +1.555	+	715.429	1.555	83.54		(716.4362, 8830.41)(717.4405, 4222.12)(718.4424, 1087.51)	FindByMolecularFeature	C33 H63 O13 P	1		LMGP06010962
PI(12:0/12:0) +1.632	PI(12:0/12:0) [ C33 H63 O13 P, overall=81.92, db=81.92, Lipid ID=LMGP06010962, METLIN ID=80984 ]			PI(12:0/12:0) +1.632	+	715.4295	1.632	81.92		(716.4367, 8182.55)(717.4404, 3869.7)(718.444, 1107.01)	FindByMolecularFeature	C33 H63 O13 P	1		LMGP06010962
PI(12:0/12:0) +7.574	PI(12:0/12:0) [ C33 H63 O13 P, overall=54.11, db=54.11, Lipid ID=LMGP06010962, METLIN ID=80984 ]			PI(12:0/12:0) +7.574	+	715.4279	7.574	54.11		(716.4352, 4096.25)(717.4416, 3602.79)(718.4462, 1477.18)	FindByMolecularFeature	C33 H63 O13 P	1		LMGP06010962
PI(12:0/20:4(5Z,8Z,11Z,14Z))	PI(12:0/20:4(5Z,8Z,11Z,14Z)) [ C41 H71 O13 P, overall=88.81, db=88.81, Lipid ID=LMGP06010030, METLIN ID=80052 ]			PI(12:0/20:4(5Z,8Z,11Z,14Z))	+	819.4915	1.523	88.81		(820.4987, 9444.27)(821.5023, 5125.2)(822.5054, 1624.69)	FindByMolecularFeature	C41 H71 O13 P	1		LMGP06010030
PI(13:0/21:0)	PI(13:0/21:0) [ C43 H83 O13 P, overall=64.23, db=64.23, Lipid ID=LMGP06010904, METLIN ID=80926 ]			PI(13:0/21:0)	+	838.556	1.526	64.23		(839.5633, 2694.76)(840.5685, 1285.8)	FindByMolecularFeature	C43 H83 O13 P	1		LMGP06010904
PI(22:1(11Z)/0:0) +1.439	PI(22:1(11Z)/0:0) [ C31 H59 O12 P, overall=73.08, db=73.08, Lipid ID=LMGP06050022, METLIN ID=81187 ]			PI(22:1(11Z)/0:0) +1.439	+	671.4029	1.439	73.08		(672.4101, 6208.25)(673.4134, 3471.22)(674.4148, 829.95)	FindByMolecularFeature	C31 H59 O12 P	1		LMGP06050022
PI(22:1(11Z)/0:0) +1.522	PI(22:1(11Z)/0:0) [ C31 H59 O12 P, overall=85.80, db=85.80, Lipid ID=LMGP06050022, METLIN ID=81187 ]			PI(22:1(11Z)/0:0) +1.522	+	671.4031	1.522	85.8		(672.4104, 7650.46)(673.413, 3237.83)(674.4181, 936.23)	FindByMolecularFeature	C31 H59 O12 P	1		LMGP06050022
PI(22:1(11Z)/0:0) +7.163	PI(22:1(11Z)/0:0) [ C31 H59 O12 P, overall=72.98, db=72.98, Lipid ID=LMGP06050022, METLIN ID=81187 ]			PI(22:1(11Z)/0:0) +7.163	+	671.4018	7.163	72.98		(672.4091, 24538.78)(673.4123, 7037.11)	FindByMolecularFeature	C31 H59 O12 P	1		LMGP06050022
PI(22:1(11Z)/0:0) +7.267	PI(22:1(11Z)/0:0) [ C31 H59 O12 P, overall=72.04, db=72.04, Lipid ID=LMGP06050022, METLIN ID=81187 ]			PI(22:1(11Z)/0:0) +7.267	+	671.4017	7.267	72.04		(672.409, 7800.51)(673.4123, 2882.27)	FindByMolecularFeature	C31 H59 O12 P	1		LMGP06050022
Picrasin C	Picrasin C [ C23 H34 O7, overall=43.99, db=43.99, CAS ID=33804-89-6, KEGG ID=C08776, METLIN ID=67194 ]	33804-89-6		Picrasin C	+	422.2317	1.497	43.99	C08776	(423.2365, 1228.27)(440.2667, 941.74)	FindByMolecularFeature	C23 H34 O7	1
Picropodophyllotoxin Acetate	Picropodophyllotoxin Acetate [ C24 H24 O9, overall=77.33, db=77.33, CAS ID=, METLIN ID=44080 ]			Picropodophyllotoxin Acetate	+	456.1415	1.163	77.33		(457.1488, 3347.15)(458.1517, 984.56)	FindByMolecularFeature	C24 H24 O9	1
Pikromycin +2.539	Pikromycin [ C28 H47 N O8, overall=75.78, db=75.78, Lipid ID=LMPK04000038, KEGG ID=C11999, METLIN ID=41002 ]			Pikromycin +2.539	+	525.3292	2.539	75.78	C11999	(526.3364, 4582.35)(527.3415, 1390.34)	FindByMolecularFeature	C28 H47 N O8	1		LMPK04000038
Pinidine	Pinidine [ C9 H17 N, overall=47.52, db=47.52, CAS ID=501-02-0, KEGG ID=C10165, METLIN ID=68168 ]	501-02-0		Pinidine	+	139.1355	4.506	47.52	C10165	(140.1414, 1037.14)(157.1698, 2111.52)	FindByMolecularFeature	C9 H17 N	1
Pinidine +4.355	Pinidine [ C9 H17 N, overall=47.62, db=47.62, CAS ID=501-02-0, KEGG ID=C10165, METLIN ID=68168 ]	501-02-0		Pinidine +4.355	+	139.136	4.355	47.62	C10165	(140.1427, 991.52)(157.1699, 3087.19)	FindByMolecularFeature	C9 H17 N	1
Piperidine +6.033	Piperidine [ C5 H11 N, overall=73.67, db=73.67, CAS ID=110-89-4, KEGG ID=C01746, METLIN ID=64457 ]	110-89-4		Piperidine +6.033	+	85.0892	6.033	73.67	C01746	(86.0964, 5946.51)(87.0991, 791.26)	FindByMolecularFeature	C5 H11 N	1
Piperonyl sulfoxide	Piperonyl sulfoxide [ C18 H28 O3 S, overall=29.93, db=29.93, CAS ID=120-62-7, KEGG ID=C19147, METLIN ID=72888 ]	120-62-7		Piperonyl sulfoxide	+	341.2051	2.415	29.93	C19147	(342.2123, 1814.09)(343.2178, 818.61)	FindByMolecularFeature	C18 H28 O3 S	1
Piracetam	Piracetam [ C6 H10 N2 O2, overall=69.67, db=69.67, CAS ID=7491-74-9, KEGG ID=D01914, METLIN ID=44173 ]	7491-74-9		Piracetam	+	142.0731	5.55	69.67	D01914	(143.0804, 7750.9)(144.0813, 818.19)	FindByMolecularFeature	C6 H10 N2 O2	1
Piracetam +4.735	Piracetam [ C6 H10 N2 O2, overall=28.86, db=28.86, CAS ID=7491-74-9, KEGG ID=D01914, METLIN ID=44173 ]	7491-74-9		Piracetam +4.735	+	142.0733	4.735	28.86	D01914	(143.0806, 3545.13)(144.0753, 778.1)	FindByMolecularFeature	C6 H10 N2 O2	1
Pirenperone	Pirenperone [ C23 H24 F N3 O2, overall=65.56, db=65.56, CAS ID=75444-65-4, METLIN ID=44422 ]	75444-65-4		Pirenperone	+	415.169	2.12	65.56		(416.1763, 2184.91)(417.1761, 743.35)	FindByMolecularFeature	C23 H24 F N3 O2	1
Plastoquinol-9	Plastoquinol-9 [ C53 H82 O2, overall=64.66, db=64.66, KEGG ID=C16695, METLIN ID=71288 ]			Plastoquinol-9	+	767.6607	1.023	64.66	C16695	(768.668, 6150.66)(769.6737, 2214.98)(770.6747, 888.08)	FindByMolecularFeature	C53 H82 O2	1
p-menthane skeleton	p-menthane skeleton [ C10 H20, overall=60.06, db=60.06, METLIN ID=53308 ]			p-menthane skeleton	+	157.1823	4.266	60.06		(158.1896, 3256.14)(159.1931, 874.34)	FindByMolecularFeature	C10 H20	1
Polygonolide	Polygonolide [ C12 H12 O4, overall=81.54, db=81.54, CAS ID=100560-66-5, KEGG ID=C09963, METLIN ID=68050 ]	100560-66-5		Polygonolide	+	237.1003	7.209	81.54	C09963	(238.1076, 5946.93)(239.1105, 1071.24)	FindByMolecularFeature	C12 H12 O4	1
Porphobilinogen	Porphobilinogen [ C10 H14 N2 O4, overall=59.28, db=59.28, CAS ID=487-90-1, KEGG ID=C00931, METLIN ID=76, HMP ID=HMDB00245 ]	487-90-1		Porphobilinogen	+	226.0955	2.011	59.28	C00931	(227.1028, 4273.25)(228.1073, 1128.72)	FindByMolecularFeature	C10 H14 N2 O4	1	HMDB00245
Presqualene diphosphate	Presqualene diphosphate [ C30 H52 O7 P2, overall=46.80, db=46.80, CAS ID=29849-75-0, KEGG ID=C03428, METLIN ID=6132, HMP ID=HMDB01278 ]	29849-75-0		Presqualene diphosphate	+	586.3206	4.589	46.8	C03428	(609.3105, 1296.53)(587.3268, 1476.96)	FindByMolecularFeature	C30 H52 O7 P2	1	HMDB01278
Pro Gly Phe	Pro Gly Phe [ C16 H21 N3 O4, overall=50.31, db=50.31, METLIN ID=18651 ]			Pro Gly Phe	+	341.1332	2.845	50.31		(342.1405, 2446.42)(343.1493, 1141.17)	FindByMolecularFeature	C16 H21 N3 O4	1
Pro Lys Ala	Pro Lys Ala [ C14 H26 N4 O4, overall=65.15, db=65.15, METLIN ID=15644 ]			Pro Lys Ala	+	336.1767	2.159	65.15		(337.1839, 3132.62)(338.1885, 886.03)	FindByMolecularFeature	C14 H26 N4 O4	1
Pro Lys Ala +2.412	Pro Lys Ala [ C14 H26 N4 O4, overall=61.29, db=61.29, METLIN ID=15644 ]			Pro Lys Ala +2.412	+	336.1776	2.412	61.29		(337.1849, 2871.57)(338.1871, 1007.32)	FindByMolecularFeature	C14 H26 N4 O4	1
Pro Lys Gln +2.158	Pro Lys Gln [ C16 H29 N5 O5, overall=78.46, db=78.46, METLIN ID=22577 ]			Pro Lys Gln +2.158	+	371.2163	2.158	78.46		(372.2236, 3377.07)(373.227, 837.91)	FindByMolecularFeature	C16 H29 N5 O5	1
Pro Val Asn	Pro Val Asn [ C14 H24 N4 O5, overall=64.08, db=64.08, METLIN ID=22067 ]			Pro Val Asn	+	328.1743	6.764	64.08		(329.1816, 4329.15)(330.1858, 1300.92)	FindByMolecularFeature	C14 H24 N4 O5	1
Procaterol +7.166	Procaterol [ C16 H22 N2 O3, overall=49.11, db=49.11, CAS ID=59828-07-8, METLIN ID=44346 ]	59828-07-8		Procaterol +7.166	+	290.1635	7.166	49.11		(291.1708, 1748.19)(292.1674, 601.05)	FindByMolecularFeature	C16 H22 N2 O3	1
Promacyl +1.308	Promacyl [ C16 H23 N O3, overall=77.33, db=77.33, CAS ID=34264-24-9, KEGG ID=C18955, METLIN ID=72715 ]	34264-24-9		Promacyl +1.308	+	277.1679	1.308	77.33	C18955	(278.1752, 7863.05)(279.1763, 1717.94)	FindByMolecularFeature	C16 H23 N O3	1
Propoxur +1.261	Propoxur [ C11 H15 N O3, overall=45.77, db=45.77, CAS ID=114-26-1, KEGG ID=C14334, METLIN ID=44243 ]	114-26-1		Propoxur +1.261	+	209.1058	1.261	45.77	C14334	(210.1131, 153831.19)(419.2182, 3896.29)	FindByMolecularFeature	C11 H15 N O3	1
Propoxur +6.72	Propoxur [ C11 H15 N O3, overall=50.91, db=50.91, CAS ID=114-26-1, KEGG ID=C14334, METLIN ID=44243 ]	114-26-1		Propoxur +6.72	+	209.1064	6.72	50.91	C14334	(210.1137, 2243.26)(211.1131, 759.29)	FindByMolecularFeature	C11 H15 N O3	1
Propoxur +7.089	Propoxur [ C11 H15 N O3, overall=52.73, db=52.73, CAS ID=114-26-1, KEGG ID=C14334, METLIN ID=44243 ]	114-26-1		Propoxur +7.089	+	209.1057	7.089	52.73	C14334	(210.113, 2802.02)(211.1203, 645.43)	FindByMolecularFeature	C11 H15 N O3	1
Propylthiouracil	Propylthiouracil [ C7 H10 N2 O S, overall=52.25, db=52.25, CAS ID=51-52-5, KEGG ID=C07569, METLIN ID=2177 ]	51-52-5		Propylthiouracil	+	187.0789	3.127	52.25	C07569	(188.0862, 2831.22)(189.0855, 709.07)	FindByMolecularFeature	C7 H10 N2 O S	1
Prostaglandin D2-biotin +4.314	Prostaglandin D2-biotin [ C36 H60 N4 O6 S, overall=61.15, db=61.15, METLIN ID=44944 ]			Prostaglandin D2-biotin +4.314	+	693.4509	4.314	61.15		(694.4582, 1969.23)(695.4619, 902.05)	FindByMolecularFeature	C36 H60 N4 O6 S	1
PS(18:0/0:0)	PS(18:0/0:0) [ C24 H48 N O9 P, overall=71.89, db=71.89, Lipid ID=LMGP03050006, METLIN ID=78834 ]			PS(18:0/0:0)	+	542.3324	3.657	71.89		(543.3396, 2999.59)(544.3449, 988.91)	FindByMolecularFeature	C24 H48 N O9 P	1		LMGP03050006
PS(18:0/0:0) +3.804	PS(18:0/0:0) [ C24 H48 N O9 P, overall=77.03, db=77.03, Lipid ID=LMGP03050006, METLIN ID=78834 ]			PS(18:0/0:0) +3.804	+	542.3335	3.804	77.03		(543.3408, 7799.9)(544.3437, 1657.02)	FindByMolecularFeature	C24 H48 N O9 P	1		LMGP03050006
PS(19:0/0:0) +1.196	PS(19:0/0:0) [ C25 H50 N O9 P, overall=63.89, db=63.89, Lipid ID=LMGP03050028, METLIN ID=78855 ]			PS(19:0/0:0) +1.196	+	539.3247	1.196	63.89		(540.332, 2746.59)(541.333, 932.73)(542.3371, 744.0)	FindByMolecularFeature	C25 H50 N O9 P	1		LMGP03050028
PS(19:0/0:0) +6.774	PS(19:0/0:0) [ C25 H50 N O9 P, overall=64.50, db=64.50, Lipid ID=LMGP03050028, METLIN ID=78855 ]			PS(19:0/0:0) +6.774	+	539.3233	6.774	64.5		(540.3306, 2689.66)(541.3343, 1077.96)	FindByMolecularFeature	C25 H50 N O9 P	1		LMGP03050028
PS(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	PS(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)) [ C44 H76 N O10 P, overall=43.27, db=43.27, Lipid ID=LMGP03010631, METLIN ID=78295 ]			PS(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	+	831.4977	3.205	43.27		(832.505, 3575.47)(833.5085, 1987.78)	FindByMolecularFeature	C44 H76 N O10 P	1		LMGP03010631
PS(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	PS(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) [ C26 H42 N O9 P, overall=59.50, db=59.50, Lipid ID=LMGP03050027, METLIN ID=78854 ]			PS(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	+	543.26	1.335	59.5		(544.2673, 1650.14)(545.2691, 824.02)	FindByMolecularFeature	C26 H42 N O9 P	1		LMGP03050027
PS(22:2(13Z,16Z)/0:0)	PS(22:2(13Z,16Z)/0:0) [ C28 H52 N O9 P, overall=77.18, db=77.18, Lipid ID=LMGP03050024, METLIN ID=78851 ]			PS(22:2(13Z,16Z)/0:0)	+	594.365	3.551	77.18		(595.3723, 4627.26)(596.3758, 1451.62)	FindByMolecularFeature	C28 H52 N O9 P	1		LMGP03050024
PS(P-16:0/0:0)	PS(P-16:0/0:0) [ C22 H44 N O8 P, overall=77.61, db=77.61, Lipid ID=LMGP03070003, METLIN ID=78866 ]			PS(P-16:0/0:0)	+	498.3071	3.112	77.61		(499.3144, 3296.36)(500.3163, 941.39)	FindByMolecularFeature	C22 H44 N O8 P	1		LMGP03070003
PS(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) +5.925	PS(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C44 H74 N O9 P, overall=88.21, db=88.21, Lipid ID=LMGP03030092, METLIN ID=78832 ]			PS(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) +5.925	+	406.7466	5.925	88.21		(407.7546, 4762.44)(814.5001, 9031.82)(815.5029, 3301.48)(816.5061, 1104.75)	FindByMolecularFeature	C44 H74 N O9 P	1		LMGP03030092
Pseudoephedrine	Pseudoephedrine [ C10 H15 N O, overall=70.35, db=70.35, CAS ID=90-82-4, KEGG ID=C02765, METLIN ID=2189, HMP ID=HMDB01943 ]	90-82-4		Pseudoephedrine	+	165.1155	5.904	70.35	C02765	(166.1228, 5882.53)(167.1247, 1158.33)	FindByMolecularFeature	C10 H15 N O	1	HMDB01943
Psicofuranine	Psicofuranine [ C11 H15 N5 O5, overall=45.26, db=45.26, CAS ID=1874-54-0, KEGG ID=C05342, METLIN ID=66308 ]	1874-54-0		Psicofuranine	+	297.1042	1.39	45.26	C05342	(298.1115, 3717.4)(299.1132, 850.32)	FindByMolecularFeature	C11 H15 N5 O5	1
PSN632408	PSN632408 [ C18 H24 N4 O4, overall=39.65, db=39.65, CAS ID=857652-30-3, METLIN ID=64655 ]	857652-30-3		PSN632408	+	360.1818	1.703	39.65		(361.1897, 1224.06)(378.2153, 1469.0)	FindByMolecularFeature	C18 H24 N4 O4	1
Purine	Purine [ C5 H4 N4, overall=63.28, db=63.28, CAS ID=120-73-0, KEGG ID=C15587, METLIN ID=6193, HMP ID=HMDB01366 ]	120-73-0		Purine	+	142.0255	4.404	63.28	C15587	(143.0327, 6262.58)(144.0355, 1323.5)(145.0334, 1034.69)	FindByMolecularFeature	C5 H4 N4	1	HMDB01366
Pyocyanine	Pyocyanine [ C13 H12 N2 O, overall=86.28, db=86.28, CAS ID=85-66-5, KEGG ID=C01748, METLIN ID=65644 ]	85-66-5		Pyocyanine	+	229.1217	4.494	86.28	C01748	(230.129, 6126.79)(231.1326, 911.52)	FindByMolecularFeature	C13 H12 N2 O	1
Pyriculol	Pyriculol [ C14 H16 O4, overall=63.68, db=63.68, CAS ID=24868-59-5, KEGG ID=C16788, METLIN ID=71342 ]	24868-59-5		Pyriculol	+	270.0858	6.367	63.68	C16788	(271.0931, 3704.3)(272.097, 1022.85)	FindByMolecularFeature	C14 H16 O4	1
Pyrimidine	Pyrimidine [ C4 H4 N2, overall=47.22, db=47.22, CAS ID=25247-63-6, KEGG ID=C00396, METLIN ID=58148, HMP ID=HMDB03361 ]	25247-63-6		Pyrimidine	+	80.0367	4.286	47.22	C00396	(81.0445, 1901.3)(98.0703, 1273.85)	FindByMolecularFeature	C4 H4 N2	1	HMDB03361
Quinagolide +2.93	Quinagolide [ C20 H33 N3 O3 S, overall=60.34, db=60.34, CAS ID=87056-78-8, METLIN ID=2207 ]	87056-78-8		Quinagolide +2.93	+	417.205	2.93	60.34		(418.2123, 2875.84)(419.2151, 1013.52)	FindByMolecularFeature	C20 H33 N3 O3 S	1
Quinapril	Quinapril [ C25 H30 N2 O5, overall=62.92, db=62.92, CAS ID=85441-61-8, KEGG ID=C07398, METLIN ID=2216 ]	85441-61-8		Quinapril	+	455.2411	1.717	62.92	C07398	(456.2484, 1877.91)(457.2548, 739.92)	FindByMolecularFeature	C25 H30 N2 O5	1
R-beta-methylphenylethylamine	R-beta-methylphenylethylamine [ C9 H13 N, overall=41.64, db=41.64, METLIN ID=84981 ]			R-beta-methylphenylethylamine	+	135.1046	4.768	41.64		(136.1119, 9284.67)(137.1088, 2373.41)	FindByMolecularFeature	C9 H13 N	1
R-beta-methylphenylethylamine +4.814	R-beta-methylphenylethylamine [ C9 H13 N, overall=52.64, db=52.64, METLIN ID=84981 ]			R-beta-methylphenylethylamine +4.814	+	135.1046	4.814	52.64		(136.1119, 4133.25)(137.112, 967.14)	FindByMolecularFeature	C9 H13 N	1
Retronecine +1.619	Retronecine [ C8 H13 N O2, overall=46.68, db=46.68, CAS ID=480-85-3, KEGG ID=C06177, METLIN ID=64442 ]	480-85-3		Retronecine +1.619	+	155.095	1.619	46.68	C06177	(156.1023, 3045.62)(157.0998, 877.48)	FindByMolecularFeature	C8 H13 N O2	1
Retusoquinone	Retusoquinone [ C11 H12 O, overall=84.08, db=84.08, CAS ID=, METLIN ID=43959 ]			Retusoquinone	+	182.0701	2.931	84.08		(183.0774, 2957.94)(184.0818, 331.63)	FindByMolecularFeature	C11 H12 O	1
Rinderine	Rinderine [ C15 H25 N O5, overall=39.73, db=39.73, CAS ID=6029-84-1, KEGG ID=C10378, METLIN ID=68290 ]	6029-84-1		Rinderine	+	316.2001	6.662	39.73	C10378	(317.2073, 2630.65)(318.2034, 1090.78)	FindByMolecularFeature	C15 H25 N O5	1
Ripazepam	Ripazepam [ C15 H16 N4 O, overall=69.10, db=69.10, CAS ID=26308-28-1, KEGG ID=C19518, METLIN ID=73201 ]	26308-28-1		Ripazepam	+	268.1314	2.116	69.1	C19518	(269.1386, 2186.26)(270.1436, 560.75)	FindByMolecularFeature	C15 H16 N4 O	1
Rivastigmine +6.087	Rivastigmine [ C14 H22 N2 O2, overall=59.01, db=59.01, CAS ID=123441-03-2, KEGG ID=C11766, METLIN ID=69205 ]	123441-03-2		Rivastigmine +6.087	+	250.1694	6.087	59.01	C11766	(251.1766, 4820.24)(252.1739, 1334.34)	FindByMolecularFeature	C14 H22 N2 O2	1
Rivastigmine +9.18	Rivastigmine [ C14 H22 N2 O2, overall=69.02, db=69.02, CAS ID=123441-03-2, KEGG ID=C11766, METLIN ID=69205 ]	123441-03-2		Rivastigmine +9.18	+	250.1693	9.18	69.02	C11766	(251.1766, 4748.0)(252.1781, 1131.01)	FindByMolecularFeature	C14 H22 N2 O2	1
Rosaniline	Rosaniline [ C20 H19 N3, overall=66.22, db=66.22, CAS ID=632-99-5, KEGG ID=C19252, METLIN ID=72972 ]	632-99-5		Rosaniline	+	318.1827	0.816	66.22	C19252	(319.19, 2616.46)(320.1969, 798.4)	FindByMolecularFeature	C20 H19 N3	1
RU-0211	RU-0211 [ C20 H32 F2 O5, overall=76.86, db=76.86, CAS ID=136790-76-6, KEGG ID=C13707, METLIN ID=69649 ]	136790-76-6		RU-0211	+	407.2485	5.934	76.86	C13707	(408.2557, 5444.83)(409.2586, 842.64)	FindByMolecularFeature	C20 H32 F2 O5	1
S-(2,4-Dinitrophenyl)glutathione	S-(2,4-Dinitrophenyl)glutathione [ C16 H19 N5 O10 S, overall=39.89, db=39.89, CAS ID=26289-39-4, KEGG ID=C11175, METLIN ID=68892 ]	26289-39-4		S-(2,4-Dinitrophenyl)glutathione	+	495.071	2.923	39.89	C11175	(496.0783, 1393.48)(497.0777, 698.52)	FindByMolecularFeature	C16 H19 N5 O10 S	1
S-[(E)-Prop-1-enyl]-L-cysteine S-oxide	S-[(E)-Prop-1-enyl]-L-cysteine S-oxide [ C6 H11 N O3 S, overall=46.51, db=46.51, CAS ID=23315-20-0, KEGG ID=C08295, METLIN ID=66892 ]	23315-20-0		S-[(E)-Prop-1-enyl]-L-cysteine S-oxide	+	177.0465	1.857	46.51	C08295	(178.0537, 3258.29)(195.0806, 618.25)	FindByMolecularFeature	C6 H11 N O3 S	1
Saquinavir	Saquinavir [ C38 H50 N6 O5, overall=77.79, db=77.79, CAS ID=127779-20-8, KEGG ID=C07243, METLIN ID=2394 ]	127779-20-8		Saquinavir	+	687.4131	1.225	77.79	C07243	(688.4204, 5854.56)(689.4245, 2520.25)(690.4304, 958.77)	FindByMolecularFeature	C38 H50 N6 O5	1
Sarracine	Sarracine [ C18 H27 N O5, overall=53.44, db=53.44, CAS ID=2492-09-3, KEGG ID=C10383, METLIN ID=68293 ]	9/3/2492		Sarracine	+	337.1892	1.621	53.44	C10383	(338.1965, 2176.18)(339.1957, 782.82)	FindByMolecularFeature	C18 H27 N O5	1
SB 218655	SB 218655 [ C17 H16 F N5, overall=71.95, db=71.95, CAS ID=165806-51-9, KEGG ID=C14316, METLIN ID=69961 ]	165806-51-9		SB 218655	+	309.1407	1.703	71.95	C14316	(310.148, 8026.39)(311.1507, 1234.37)(312.1489, 671.81)	FindByMolecularFeature	C17 H16 F N5	1
Schizandrin	Schizandrin [ C24 H32 O7, overall=54.59, db=54.59, CAS ID=7432-28-2, KEGG ID=C17064, METLIN ID=71534 ]	7432-28-2		Schizandrin	+	454.1968	2.777	54.59	C17064	(455.2041, 1844.17)(456.2098, 954.3)	FindByMolecularFeature	C24 H32 O7	1
Secbumeton +1.562	Secbumeton [ C10 H19 N5 O, overall=58.31, db=58.31, CAS ID=26259-45-0, KEGG ID=C19106, METLIN ID=72848 ]	26259-45-0		Secbumeton +1.562	+	225.1595	1.562	58.31	C19106	(226.1668, 3927.18)(227.1692, 2475.36)	FindByMolecularFeature	C10 H19 N5 O	1
Secbumeton +7.403	Secbumeton [ C10 H19 N5 O, overall=61.05, db=61.05, CAS ID=26259-45-0, KEGG ID=C19106, METLIN ID=72848 ]	26259-45-0		Secbumeton +7.403	+	247.1426	7.403	61.05	C19106	(248.1499, 3169.42)(249.1533, 646.1)	FindByMolecularFeature	C10 H19 N5 O	1
Secogalioside	Secogalioside [ C17 H24 O12, overall=49.30, db=49.30, CAS ID=61774-57-0, KEGG ID=C11674, METLIN ID=69151 ]	61774-57-0		Secogalioside	+	442.1084	2.876	49.3	C11674	(443.1157, 1516.63)(444.1161, 836.84)	FindByMolecularFeature	C17 H24 O12	1
Ser Tyr Glu	Ser Tyr Glu [ C17 H23 N3 O8, overall=66.86, db=66.86, METLIN ID=23432 ]			Ser Tyr Glu	+	414.1769	5.786	66.86		(415.1841, 2850.49)(416.1865, 800.53)	FindByMolecularFeature	C17 H23 N3 O8	1
Serratine +5.478	Serratine [ C16 H25 N O3, overall=76.72, db=76.72, CAS ID=15252-93-4, KEGG ID=C09901, METLIN ID=67996 ]	15252-93-4		Serratine +5.478	+	279.1833	5.478	76.72	C09901	(280.1906, 5883.72)(281.1937, 1470.99)	FindByMolecularFeature	C16 H25 N O3	1
Sibutramine	Sibutramine [ C17 H26 Cl N, overall=41.69, db=41.69, CAS ID=84485-00-7, KEGG ID=C07247, METLIN ID=44427 ]	84485-00-7		Sibutramine	+	279.1737	1.351	41.69	C07247	(302.1633, 4354.8)(280.1795, 809.15)	FindByMolecularFeature	C17 H26 Cl N	1
Songorine +2.121	Songorine [ C22 H31 N O3, overall=49.50, db=49.50, CAS ID=509-24-0, KEGG ID=C08707, METLIN ID=67141 ]	509-24-0		Songorine +2.121	+	357.2329	2.121	49.5	C08707	(358.2401, 1351.08)(359.2421, 589.56)	FindByMolecularFeature	C22 H31 N O3	1
Songorine +2.774	Songorine [ C22 H31 N O3, overall=66.59, db=66.59, CAS ID=509-24-0, KEGG ID=C08707, METLIN ID=67141 ]	509-24-0		Songorine +2.774	+	379.2144	2.774	66.59	C08707	(380.2217, 2010.29)(381.2184, 624.15)	FindByMolecularFeature	C22 H31 N O3	1
stigmast-25-en-3?-ol	stigmast-25-en-3?-ol [ C29 H50 O, overall=56.98, db=56.98, METLIN ID=41780 ]			stigmast-25-en-3?-ol	+	436.3668	1.289	56.98		(437.374, 3861.74)(438.3759, 1739.2)	FindByMolecularFeature	C29 H50 O	1
Stovaine +4.037	Stovaine [ C14 H21 N O2, overall=76.08, db=76.08, CAS ID=644-26-8, KEGG ID=C14169, METLIN ID=69848 ]	644-26-8		Stovaine +4.037	+	257.1381	4.037	76.08	C14169	(258.1454, 5080.3)(259.1484, 1055.5)	FindByMolecularFeature	C14 H21 N O2	1
Streptobiosamine	Streptobiosamine [ C13 H23 N O9, overall=63.70, db=63.70, CAS ID=126-05-6, KEGG ID=C07655, METLIN ID=66705 ]	126-05-6		Streptobiosamine	+	337.137	6.071	63.7	C07655	(338.1443, 3725.33)(339.1494, 987.51)	FindByMolecularFeature	C13 H23 N O9	1
Styrene +1.152	Styrene [ C8 H8, overall=64.08, db=64.08, CAS ID=100-42-5, KEGG ID=C07083, METLIN ID=66571 ]	100-42-5		Styrene +1.152	+	104.0626	1.152	64.08	C07083	(105.0699, 4034.73)(106.0798, 591.96)	FindByMolecularFeature	C8 H8	1
SU 5416 +3.052	SU 5416 [ C15 H14 N2 O, overall=36.33, db=36.33, CAS ID=204005-46-9, METLIN ID=45544 ]	204005-46-9		SU 5416 +3.052	+	238.1081	3.052	36.33		(261.0981, 1786.27)(239.1144, 736.59)(256.1406, 752.18)	FindByMolecularFeature	C15 H14 N2 O	1
Succinylmonocholine	Succinylmonocholine [ C9 H18 N O4, overall=50.02, db=50.02, CAS ID=5518-77-4, METLIN ID=2522 ]	5518-77-4		Succinylmonocholine	+	186.0908	1.225	50.02		(187.0978, 1121.22)(204.1248, 2052.5)(205.1223, 892.87)	FindByMolecularFeature	C9 H18 N O4	1
Sulfaphenazole	Sulfaphenazole [ C15 H14 N4 O2 S, overall=43.52, db=43.52, CAS ID=526-08-9, KEGG ID=D01954, METLIN ID=4101 ]	526-08-9		Sulfaphenazole	+	314.0852	1.064	43.52	D01954	(315.0928, 1110.55)(332.1187, 2033.54)	FindByMolecularFeature	C15 H14 N4 O2 S	1
Sunitinib	Sunitinib [ C22 H27 F N4 O2, overall=54.69, db=54.69, CAS ID=341031-54-7, KEGG ID=D06402, METLIN ID=45411 ]	341031-54-7		Sunitinib	+	415.2418	2.011	54.69	D06402	(416.2491, 3947.81)(417.2522, 1242.82)	FindByMolecularFeature	C22 H27 F N4 O2	1
Swietenidin B	Swietenidin B [ C11 H11 N O3, overall=41.86, db=41.86, CAS ID=2721-56-4, KEGG ID=C10741, METLIN ID=68541 ]	2721-56-4		Swietenidin B	+	205.075	1.324	41.86	C10741	(206.0823, 3130.03)(428.1839, 570.4)	FindByMolecularFeature	C11 H11 N O3	1
Tabernamine	Tabernamine [ C40 H48 N4 O2, overall=72.02, db=72.02, CAS ID=59626-92-5, KEGG ID=C09242, METLIN ID=67547 ]	59626-92-5		Tabernamine	+	616.3782	3.777	72.02	C09242	(617.3854, 3784.59)(618.3882, 1575.81)	FindByMolecularFeature	C40 H48 N4 O2	1
Tacrolimus	Tacrolimus [ C44 H69 N O12, overall=97.89, db=97.89, Lipid ID=LMPK04000003, CAS ID=104987-11-3, KEGG ID=C01375, METLIN ID=2631 ]	104987-11-3		Tacrolimus	+	803.4815	1.865	97.89	C01375	(804.4888, 6890.76)(805.4921, 3181.73)(806.4951, 945.76)	FindByMolecularFeature	C44 H69 N O12	1		LMPK04000003
Tacrolimus +2.012	Tacrolimus [ C44 H69 N O12, overall=97.36, db=97.36, Lipid ID=LMPK04000003, CAS ID=104987-11-3, KEGG ID=C01375, METLIN ID=2631 ]	104987-11-3		Tacrolimus +2.012	+	803.4816	2.012	97.36	C01375	(804.4889, 8923.03)(805.4922, 4496.65)(806.4947, 1365.36)	FindByMolecularFeature	C44 H69 N O12	1		LMPK04000003
Tauroursocholic acid +3.234	Tauroursocholic acid [ C26 H45 N O7 S, overall=55.68, db=55.68, Lipid ID=LMST05040014, METLIN ID=57999 ]			Tauroursocholic acid +3.234	+	515.2945	3.234	55.68		(516.3017, 2461.15)(517.3047, 805.35)	FindByMolecularFeature	C26 H45 N O7 S	1		LMST05040014
Tetradecanoylcarnitine	Tetradecanoylcarnitine [ C21 H42 N O4, overall=46.81, db=46.81, CAS ID=25597-07-3, METLIN ID=58293, HMP ID=HMDB05066 ]	25597-07-3		Tetradecanoylcarnitine	+	371.304	1.102	46.81		(372.3103, 1671.16)(760.646, 1257.0)	FindByMolecularFeature	C21 H42 N O4	1	HMDB05066
Tetrahexosylceramide (d18:1/9Z-18:1)	Tetrahexosylceramide (d18:1/9Z-18:1) [ C62 H112 N2 O23, overall=36.07, db=36.07, CAS ID=11034-93-8, KEGG ID=C03272, METLIN ID=7212, HMP ID=HMDB04959 ]	11034-93-8		Tetrahexosylceramide (d18:1/9Z-18:1)	+	1252.7625	5.704	36.07	C03272	(1253.7697, 1449.87)(1254.7642, 588.29)	FindByMolecularFeature	C62 H112 N2 O23	1	HMDB04959
Tetralin	Tetralin [ C10 H12, overall=32.74, db=32.74, CAS ID=119-64-2, KEGG ID=C14114, METLIN ID=69808 ]	119-64-2		Tetralin	+	132.0922	1.261	32.74	C14114	(133.0984, 810.96)(265.1934, 1115.29)	FindByMolecularFeature	C10 H12	1
Tetranor-PGF1alpha +1.213	Tetranor-PGF1alpha [ C16 H28 O5, overall=76.38, db=76.38, Lipid ID=LMFA03010213, METLIN ID=74978 ]			Tetranor-PGF1alpha +1.213	+	322.1764	1.213	76.38		(323.1837, 4024.44)(324.1862, 942.42)	FindByMolecularFeature	C16 H28 O5	1		LMFA03010213
TG(14:0/14:0/14:0)	TG(14:0/14:0/14:0) [ C45 H86 O6, overall=60.61, db=60.61, Lipid ID=LMGL03012616, METLIN ID=75581 ]			TG(14:0/14:0/14:0)	+	739.6683	1.05	60.61		(740.6756, 1971.38)(741.6769, 1060.2)	FindByMolecularFeature	C45 H86 O6	1		LMGL03012616
TG(15:0/18:2(9Z,12Z)/16:0)[iso6]	TG(15:0/18:2(9Z,12Z)/16:0)[iso6] [ C52 H96 O6, overall=61.22, db=61.22, METLIN ID=62444, HMP ID=HMDB11710 ]			TG(15:0/18:2(9Z,12Z)/16:0)[iso6]	+	833.7463	1.102	61.22		(834.7535, 4158.06)(835.7573, 2518.84)(836.7682, 3167.0)	FindByMolecularFeature	C52 H96 O6	1	HMDB11710
TG(15:0/20:1(11Z)/14:0)[iso6]	TG(15:0/20:1(11Z)/14:0)[iso6] [ C52 H98 O6, overall=77.05, db=77.05, METLIN ID=62447, HMP ID=HMDB11713 ]			TG(15:0/20:1(11Z)/14:0)[iso6]	+	835.7622	1.163	77.05		(836.7695, 4274.17)(837.7737, 2220.01)(838.7803, 1304.93)	FindByMolecularFeature	C52 H98 O6	1	HMDB11713
TG(16:0/14:0/16:0)[iso3]	TG(16:0/14:0/16:0)[iso3] [ C49 H94 O6, overall=86.74, db=86.74, METLIN ID=61719, HMP ID=HMDB10411 ]			TG(16:0/14:0/16:0)[iso3]	+	795.7302	1.116	86.74		(796.7374, 4733.2)(797.7417, 2208.19)(798.7419, 945.16)	FindByMolecularFeature	C49 H94 O6	1	HMDB10411
TG(16:0/14:0/16:1(9Z))[iso6]	TG(16:0/14:0/16:1(9Z))[iso6] [ C49 H92 O6, overall=61.57, db=61.57, METLIN ID=61720, HMP ID=HMDB10412 ]			TG(16:0/14:0/16:1(9Z))[iso6]	+	793.7156	1.083	61.57		(794.7228, 6113.01)(795.7264, 3216.28)(796.7373, 3055.8)	FindByMolecularFeature	C49 H92 O6	1	HMDB10412
TG(16:0/14:0/18:0)[iso6]	TG(16:0/14:0/18:0)[iso6] [ C51 H98 O6, overall=59.68, db=59.68, METLIN ID=61721, HMP ID=HMDB10413 ]			TG(16:0/14:0/18:0)[iso6]	+	823.7611	1.171	59.68		(824.7684, 2469.24)(825.7726, 891.37)	FindByMolecularFeature	C51 H98 O6	1	HMDB10413
TG(16:0/16:1(9Z)/20:2(11Z,14Z))[iso6]	TG(16:0/16:1(9Z)/20:2(11Z,14Z))[iso6] [ C55 H100 O6, overall=64.69, db=64.69, Lipid ID=LMGL03010135, CAS ID=, METLIN ID=4832 ]			TG(16:0/16:1(9Z)/20:2(11Z,14Z))[iso6]	+	873.7775	1.118	64.69		(874.7848, 1660.03)(875.7892, 1057.02)(876.7982, 940.06)	FindByMolecularFeature	C55 H100 O6	1		LMGL03010135
TG(16:0/18:3(9Z,12Z,15Z)/20:0)[iso6]	TG(16:0/18:3(9Z,12Z,15Z)/20:0)[iso6] [ C57 H104 O6, overall=60.03, db=60.03, Lipid ID=LMGL03010262, CAS ID=, METLIN ID=4959 ]			TG(16:0/18:3(9Z,12Z,15Z)/20:0)[iso6]	+	901.8091	1.19	60.03		(902.8164, 2256.47)(903.82, 1595.58)	FindByMolecularFeature	C57 H104 O6	1		LMGL03010262
TG(16:1(9Z)/14:0/18:1(9Z))[iso6]	TG(16:1(9Z)/14:0/18:1(9Z))[iso6] [ C51 H94 O6, overall=61.95, db=61.95, METLIN ID=61727, HMP ID=HMDB10421 ]			TG(16:1(9Z)/14:0/18:1(9Z))[iso6]	+	819.7308	1.082	61.95		(820.7381, 4556.56)(821.7424, 2726.25)	FindByMolecularFeature	C51 H94 O6	1	HMDB10421
TG(16:1(9Z)/18:0/18:1(9Z))[iso6] +1.207	TG(16:1(9Z)/18:0/18:1(9Z))[iso6] [ C55 H102 O6, overall=61.57, db=61.57, Lipid ID=LMGL03010101, CAS ID=, METLIN ID=4799 ]			TG(16:1(9Z)/18:0/18:1(9Z))[iso6] +1.207	+	875.7935	1.207	61.57		(876.8008, 2067.95)(877.8055, 1276.01)(878.8158, 1052.27)	FindByMolecularFeature	C55 H102 O6	1		LMGL03010101
TG(17:0/17:0/17:2(9Z,12Z))[iso3]	TG(17:0/17:0/17:2(9Z,12Z))[iso3] [ C54 H100 O6, overall=62.38, db=62.38, Lipid ID=LMGL03010048, CAS ID=, METLIN ID=4747 ]			TG(17:0/17:0/17:2(9Z,12Z))[iso3]	+	861.7776	1.144	62.38		(862.7848, 2312.84)(863.789, 1212.17)	FindByMolecularFeature	C54 H100 O6	1		LMGL03010048
TG(18:0/16:0/18:1(11Z))[iso6]	TG(18:0/16:0/18:1(11Z))[iso6] [ C55 H104 O6, overall=58.22, db=58.22, METLIN ID=61737, HMP ID=HMDB10431 ]			TG(18:0/16:0/18:1(11Z))[iso6]	+	877.8099	1.348	58.22		(878.8172, 1612.1)(879.8224, 1190.44)	FindByMolecularFeature	C55 H104 O6	1	HMDB10431
TG(18:0/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6]	TG(18:0/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6] [ C57 H102 O6, overall=59.71, db=59.71, Lipid ID=LMGL03010291, CAS ID=, METLIN ID=5013 ]			TG(18:0/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6]	+	899.793	1.112	59.71		(900.8002, 1368.03)(901.8039, 891.74)	FindByMolecularFeature	C57 H102 O6	1		LMGL03010291
TG(18:1(9Z)/14:0/18:2(9Z,12Z))[iso6]	TG(18:1(9Z)/14:0/18:2(9Z,12Z))[iso6] [ C53 H96 O6, overall=62.97, db=62.97, METLIN ID=61755, HMP ID=HMDB10449 ]			TG(18:1(9Z)/14:0/18:2(9Z,12Z))[iso6]	+	845.7465	1.085	62.97		(846.7537, 2009.82)(847.7578, 1053.13)	FindByMolecularFeature	C53 H96 O6	1	HMDB10449
THA +1.096	THA [ C24 H36 O2, overall=44.18, db=44.18, Lipid ID=LMFA01030822, METLIN ID=74358 ]			THA +1.096	+	178.136	1.096	44.18		(179.1422, 875.16)(357.2799, 1432.37)	FindByMolecularFeature	C24 H36 O2	1		LMFA01030822
Thalsimine +1.717	Thalsimine [ C38 H40 N2 O7, overall=49.15, db=49.15, CAS ID=5525-36-0, KEGG ID=C09661, METLIN ID=67869 ]	5525-36-0		Thalsimine +1.717	+	636.2798	1.717	49.15	C09661	(637.287, 4528.68)(638.2895, 2067.7)	FindByMolecularFeature	C38 H40 N2 O7	1
Thapsigargin +3.667	Thapsigargin [ C34 H50 O12, overall=40.60, db=40.60, KEGG ID=C09561, METLIN ID=41196 ]			Thapsigargin +3.667	+	650.3312	3.667	40.6	C09561	(651.3385, 1276.28)(652.3415, 928.03)(653.354, 1350.13)	FindByMolecularFeature	C34 H50 O12	1
Thr Ala Thr	Thr Ala Thr [ C11 H21 N3 O6, overall=73.76, db=73.76, METLIN ID=23238 ]			Thr Ala Thr	+	291.1432	6.246	73.76		(292.1504, 5958.08)(293.1545, 1213.91)	FindByMolecularFeature	C11 H21 N3 O6	1
Todralazine	Todralazine [ C11 H12 N4 O2, overall=59.84, db=59.84, CAS ID=14679-73-3, METLIN ID=43492 ]	14679-73-3		Todralazine	+	249.1221	7.123	59.84		(250.1294, 2015.41)(251.1312, 613.39)	FindByMolecularFeature	C11 H12 N4 O2	1
Tolbutamide	Tolbutamide [ C12 H18 N2 O3 S, overall=66.63, db=66.63, CAS ID=64-77-7, KEGG ID=C07148, METLIN ID=2868 ]	64-77-7		Tolbutamide	+	287.1294	4.186	66.63	C07148	(288.1366, 2324.13)(289.1407, 1050.2)(290.1368, 822.19)	FindByMolecularFeature	C12 H18 N2 O3 S	1
Tolperisone	Tolperisone [ C16 H23 N O, overall=74.30, db=74.30, CAS ID=3644-61-9, METLIN ID=43502 ]	3644-61-9		Tolperisone	+	267.1593	3.251	74.3		(268.1666, 3798.49)(269.1689, 931.43)	FindByMolecularFeature	C16 H23 N O	1
Trandolapril glucuronide	Trandolapril glucuronide [ C30 H42 N2 O11, overall=52.84, db=52.84, CAS ID=, METLIN ID=2891 ]			Trandolapril glucuronide	+	623.303	3.909	52.84		(624.3103, 1929.71)(625.3188, 1036.07)	FindByMolecularFeature	C30 H42 N2 O11	1
trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene	trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene [ C20 H18 O2, overall=74.80, db=74.80, CAS ID=68162-13-0, KEGG ID=C19490, METLIN ID=73184 ]	68162-13-0		trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene	+	290.1305	1.767	74.8	C19490	(291.1377, 1918.75)(292.1419, 565.57)	FindByMolecularFeature	C20 H18 O2	1
Triangularine	Triangularine [ C18 H25 N O5, overall=55.95, db=55.95, CAS ID=87340-27-0, KEGG ID=C10410, METLIN ID=68314 ]	87340-27-0		Triangularine	+	335.1737	1.467	55.95	C10410	(336.181, 2634.67)(337.1859, 1058.57)	FindByMolecularFeature	C18 H25 N O5	1
TRIBOA	TRIBOA [ C8 H7 N O5, overall=67.90, db=67.90, KEGG ID=C15771, METLIN ID=71098 ]			TRIBOA	+	197.0337	0.921	67.9	C15771	(198.041, 5262.93)(199.0439, 858.12)	FindByMolecularFeature	C8 H7 N O5	1
Tricaine +3.332	Tricaine [ C9 H11 N O2, overall=41.91, db=41.91, CAS ID=582-33-2, KEGG ID=C18090, METLIN ID=72021 ]	582-33-2		Tricaine +3.332	+	165.0797	3.332	41.91	C18090	(166.0869, 5353.01)(167.0968, 1165.29)	FindByMolecularFeature	C9 H11 N O2	1
Trichostatin A +1.651	Trichostatin A [ C17 H22 N2 O3, overall=79.36, db=79.36, Lipid ID=LMPK01000055, CAS ID=58880-19-6, METLIN ID=46755 ]	58880-19-6		Trichostatin A +1.651	+	302.1631	1.651	79.36		(303.1703, 7599.14)(304.1741, 1878.65)	FindByMolecularFeature	C17 H22 N2 O3	1		LMPK01000055
Trichostatin A +6.204	Trichostatin A [ C17 H22 N2 O3, overall=51.92, db=51.92, Lipid ID=LMPK01000055, CAS ID=58880-19-6, METLIN ID=46755 ]	58880-19-6		Trichostatin A +6.204	+	319.1894	6.204	51.92		(320.1967, 3387.72)(321.1955, 1142.71)	FindByMolecularFeature	C17 H22 N2 O3	1		LMPK01000055
Trichothecin +2.454	Trichothecin [ C19 H24 O5, overall=59.96, db=59.96, CAS ID=6379-69-7, KEGG ID=C09742, METLIN ID=67917 ]	6379-69-7		Trichothecin +2.454	+	332.163	2.454	59.96	C09742	(333.1702, 2789.97)(334.1743, 1087.01)	FindByMolecularFeature	C19 H24 O5	1
Tricin 7-neohesperidoside	Tricin 7-neohesperidoside [ C29 H34 O16, overall=50.57, db=50.57, Lipid ID=LMPK12110862, METLIN ID=49290 ]			Tricin 7-neohesperidoside	+	655.2064	1.027	50.57		(656.2136, 3415.25)(657.22, 1834.91)(658.2228, 1592.95)	FindByMolecularFeature	C29 H34 O16	1		LMPK12110862
Tris(2-methyl-1-aziridinyl)phosphine oxide	Tris(2-methyl-1-aziridinyl)phosphine oxide [ C9 H18 N3 O P, overall=43.77, db=43.77, CAS ID=57-39-6, KEGG ID=C19556, METLIN ID=73227 ]	57-39-6		Tris(2-methyl-1-aziridinyl)phosphine oxide	+	215.1199	6.244	43.77	C19556	(238.1089, 1958.08)(216.1278, 837.03)	FindByMolecularFeature	C9 H18 N3 O P	1
Tris(2-methyl-1-aziridinyl)phosphine oxide +6.058	Tris(2-methyl-1-aziridinyl)phosphine oxide [ C9 H18 N3 O P, overall=47.28, db=47.28, CAS ID=57-39-6, KEGG ID=C19556, METLIN ID=73227 ]	57-39-6		Tris(2-methyl-1-aziridinyl)phosphine oxide +6.058	+	215.1184	6.058	47.28	C19556	(238.1077, 1736.51)(216.1255, 804.83)	FindByMolecularFeature	C9 H18 N3 O P	1
Trp Ile Arg	Trp Ile Arg [ C23 H35 N7 O4, overall=75.29, db=75.29, METLIN ID=17280 ]			Trp Ile Arg	+	490.3023	3.977	75.29		(491.3096, 5568.04)(492.3137, 1231.89)	FindByMolecularFeature	C23 H35 N7 O4	1
Trp Pro	Trp Pro [ C16 H19 N3 O3, overall=46.30, db=46.30, METLIN ID=23980 ]			Trp Pro	+	301.1413	8.384	46.3		(302.1493, 1731.15)(603.2866, 885.0)	FindByMolecularFeature	C16 H19 N3 O3	1
Trp Ser	Trp Ser [ C14 H17 N3 O4, overall=74.28, db=74.28, METLIN ID=23683 ]			Trp Ser	+	308.15	8.558	74.28		(309.1572, 16780.37)(310.1573, 2397.24)	FindByMolecularFeature	C14 H17 N3 O4	1
Trp Thr Trp	Trp Thr Trp [ C26 H29 N5 O5, overall=61.34, db=61.34, METLIN ID=22414 ]			Trp Thr Trp	+	491.2198	6.056	61.34		(492.227, 3878.66)(493.2301, 876.93)	FindByMolecularFeature	C26 H29 N5 O5	1
Tumonoic Acid A	Tumonoic Acid A [ C19 H33 N O4, overall=39.17, db=39.17, METLIN ID=65396 ]			Tumonoic Acid A	+	339.2412	1.111	39.17		(340.2485, 2934.16)(341.242, 1098.99)	FindByMolecularFeature	C19 H33 N O4	1
Tussilagine +6.789	Tussilagine [ C10 H17 N O3, overall=62.16, db=62.16, CAS ID=80151-77-5, KEGG ID=C10411, METLIN ID=68315 ]	80151-77-5		Tussilagine +6.789	+	199.1212	6.789	62.16	C10411	(200.1285, 2689.86)(201.132, 708.04)	FindByMolecularFeature	C10 H17 N O3	1
Tylosin	Tylosin [ C46 H77 N O17, overall=50.54, db=50.54, Lipid ID=LMPK04000004, CAS ID=1401-69-0, KEGG ID=C01457, METLIN ID=40964 ]	1401-69-0		Tylosin	+	915.5149	1.838	50.54	C01457	(916.5222, 1999.84)(917.5283, 1149.44)	FindByMolecularFeature	C46 H77 N O17	1		LMPK04000004
Tyr Leu +8.699	Tyr Leu [ C15 H22 N2 O4, overall=73.76, db=73.76, METLIN ID=24037 ]			Tyr Leu +8.699	+	294.158	8.699	73.76		(295.1652, 4486.51)(296.168, 1149.69)	FindByMolecularFeature	C15 H22 N2 O4	1
Tyr Met Glu	Tyr Met Glu [ C19 H27 N3 O7 S, overall=64.20, db=64.20, METLIN ID=17013 ]			Tyr Met Glu	+	458.1825	6.508	64.2		(459.1897, 2507.55)(460.1948, 714.79)	FindByMolecularFeature	C19 H27 N3 O7 S	1
Tyr Phe	Tyr Phe [ C18 H20 N2 O4, overall=50.76, db=50.76, METLIN ID=23970 ]			Tyr Phe	+	328.1405	2.926	50.76		(329.1477, 2536.11)(330.1501, 926.61)(346.1749, 860.21)	FindByMolecularFeature	C18 H20 N2 O4	1
Tyr Tyr +3.579	Tyr Tyr [ C18 H20 N2 O5, overall=64.64, db=64.64, METLIN ID=23766 ]			Tyr Tyr +3.579	+	344.1346	3.579	64.64		(345.1419, 3403.51)(346.147, 831.43)	FindByMolecularFeature	C18 H20 N2 O5	1
Tyr Tyr Pro	Tyr Tyr Pro [ C23 H27 N3 O6, overall=44.38, db=44.38, METLIN ID=23115 ]			Tyr Tyr Pro	+	463.1753	1.423	44.38		(464.1825, 2146.11)(465.1844, 973.04)	FindByMolecularFeature	C23 H27 N3 O6	1
TyrMe-Nap-OH +1.041	TyrMe-Nap-OH [ C29 H26 N2 O7, overall=43.80, db=43.80, METLIN ID=65340 ]			TyrMe-Nap-OH +1.041	+	531.2038	1.041	43.8		(532.2111, 2103.16)(533.2146, 1088.09)	FindByMolecularFeature	C29 H26 N2 O7	1
Ursiniolide A	Ursiniolide A [ C22 H28 O7, overall=72.68, db=72.68, CAS ID=52677-96-0, KEGG ID=C09572, METLIN ID=67814 ]	52677-96-0		Ursiniolide A	+	421.2103	4.56	72.68	C09572	(422.2176, 2276.64)(423.2236, 639.11)	FindByMolecularFeature	C22 H28 O7	1
Val Arg Pro	Val Arg Pro [ C16 H30 N6 O4, overall=36.70, db=36.70, METLIN ID=23376 ]			Val Arg Pro	+	370.2314	1.049	36.7		(371.2398, 1365.07)(388.2646, 2893.91)	FindByMolecularFeature	C16 H30 N6 O4	1
Val Arg Tyr	Val Arg Tyr [ C20 H32 N6 O5, overall=38.04, db=38.04, METLIN ID=21645 ]			Val Arg Tyr	+	436.2459	1.35	38.04		(437.2528, 1292.53)(454.2805, 1093.78)(455.2937, 452.76)	FindByMolecularFeature	C20 H32 N6 O5	1
Val Arg Val +1.394	Val Arg Val [ C16 H32 N6 O4, overall=48.76, db=48.76, METLIN ID=20255 ]			Val Arg Val +1.394	+	389.2775	1.394	48.76		(390.2847, 4194.01)(391.2845, 2314.31)	FindByMolecularFeature	C16 H32 N6 O4	1
Val Asp Trp	Val Asp Trp [ C20 H26 N4 O6, overall=38.66, db=38.66, METLIN ID=23096 ]			Val Asp Trp	+	435.2155	5.668	38.66		(436.2228, 2318.65)(437.2252, 972.93)	FindByMolecularFeature	C20 H26 N4 O6	1
Val Ile +7.318	Val Ile [ C11 H22 N2 O3, overall=48.16, db=48.16, METLIN ID=23923 ]			Val Ile +7.318	+	230.1632	7.318	48.16		(231.1705, 1911.87)(232.1695, 651.06)	FindByMolecularFeature	C11 H22 N2 O3	1
Val Leu +6.825	Val Leu [ C11 H22 N2 O3, overall=51.41, db=51.41, METLIN ID=23950 ]			Val Leu +6.825	+	252.1451	6.825	51.41		(253.1524, 1529.94)(254.1528, 588.43)	FindByMolecularFeature	C11 H22 N2 O3	1
Val Tyr Phe	Val Tyr Phe [ C23 H29 N3 O5, overall=43.43, db=43.43, METLIN ID=21013 ]			Val Tyr Phe	+	449.1966	1.067	43.43		(450.2039, 1661.41)(451.2103, 703.26)(452.2016, 888.75)	FindByMolecularFeature	C23 H29 N3 O5	1
Val Val +8.186	Val Val [ C10 H20 N2 O3, overall=57.47, db=57.47, METLIN ID=23988 ]			Val Val +8.186	+	216.1475	8.186	57.47		(217.1548, 4746.66)(218.1589, 614.96)(219.1479, 722.6)	FindByMolecularFeature	C10 H20 N2 O3	1
Valdecoxib	Valdecoxib [ C16 H14 N2 O3 S, overall=63.27, db=63.27, CAS ID=181695-72-7, METLIN ID=43886 ]	181695-72-7		Valdecoxib	+	331.0997	1.966	63.27		(332.107, 2142.82)(333.1092, 655.66)	FindByMolecularFeature	C16 H14 N2 O3 S	1
Valeroidine	Valeroidine [ C13 H23 N O3, overall=72.59, db=72.59, CAS ID=490-96-0, KEGG ID=C10869, METLIN ID=68643 ]	490-96-0		Valeroidine	+	241.1679	6.377	72.59	C10869	(242.1752, 2724.45)(243.1802, 583.56)	FindByMolecularFeature	C13 H23 N O3	1
Valproic acid glucuronide	Valproic acid glucuronide [ C14 H24 O8, overall=46.62, db=46.62, CAS ID=60113-83-9, KEGG ID=C03033, METLIN ID=2991, HMP ID=HMDB00901 ]	60113-83-9		Valproic acid glucuronide	+	320.1494	3.225	46.62	C03033	(321.1567, 2225.12)(322.1575, 872.9)	FindByMolecularFeature	C14 H24 O8	1	HMDB00901
Vinyl-L-NIO	Vinyl-L-NIO [ C9 H17 N3 O2, overall=34.48, db=34.48, CAS ID=728944-69-2, METLIN ID=62972 ]	728944-69-2		Vinyl-L-NIO	+	199.1302	3.644	34.48		(200.1375, 2458.64)(201.1382, 744.08)	FindByMolecularFeature	C9 H17 N3 O2	1
VPGPR Enterostatin +7.764	VPGPR Enterostatin [ C23 H40 N8 O6, overall=54.82, db=54.82, CAS ID=144964-56-7, METLIN ID=58161, HMP ID=HMDB03577 ]	144964-56-7		VPGPR Enterostatin +7.764	+	541.3302	7.764	54.82		(542.3375, 7440.73)(543.3414, 1413.95)	FindByMolecularFeature	C23 H40 N8 O6	1	HMDB03577
V-PYRRO/NO +4.102	V-PYRRO/NO [ C6 H11 N3 O2, overall=83.31, db=83.31, CAS ID=179344-98-0, METLIN ID=62984 ]	179344-98-0		V-PYRRO/NO +4.102	+	157.0853	4.102	83.31		(158.0925, 18923.52)(159.0949, 2174.62)	FindByMolecularFeature	C6 H11 N3 O2	1
Xestoaminol C +4.357	Xestoaminol C [ C14 H31 N O, overall=80.49, db=80.49, Lipid ID=LMSP01080033, METLIN ID=53933 ]			Xestoaminol C +4.357	+	229.2407	4.357	80.49		(230.248, 5108.98)(231.252, 1056.01)	FindByMolecularFeature	C14 H31 N O	1		LMSP01080033
Zalcitabine +1.729	Zalcitabine [ C9 H13 N3 O3, overall=52.92, db=52.92, CAS ID=7481-89-2, KEGG ID=C07207, METLIN ID=3061 ]	7481-89-2		Zalcitabine +1.729	+	211.0965	1.729	52.92	C07207	(212.1038, 4512.06)(213.1028, 1246.92)	FindByMolecularFeature	C9 H13 N3 O3	1
Zalcitabine +3.995	Zalcitabine [ C9 H13 N3 O3, overall=56.72, db=56.72, CAS ID=7481-89-2, KEGG ID=C07207, METLIN ID=3061 ]	7481-89-2		Zalcitabine +3.995	+	211.0966	3.995	56.72	C07207	(212.1038, 2737.43)(213.1064, 1255.74)	FindByMolecularFeature	C9 H13 N3 O3	1
Zaprinast	Zaprinast [ C13 H13 N5 O2, overall=60.80, db=60.80, CAS ID=37762-06-4, METLIN ID=44292 ]	37762-06-4		Zaprinast	+	271.1064	1.92	60.8		(272.1137, 3633.97)(273.1223, 926.07)	FindByMolecularFeature	C13 H13 N5 O2	1
Zaprinast +6.875	Zaprinast [ C13 H13 N5 O2, overall=70.34, db=70.34, CAS ID=37762-06-4, METLIN ID=44292 ]	37762-06-4		Zaprinast +6.875	+	271.1061	6.875	70.34		(272.1134, 3588.49)(273.1171, 894.96)	FindByMolecularFeature	C13 H13 N5 O2	1
Z-Gly-Pro-Leu-Gly-Pro	Z-Gly-Pro-Leu-Gly-Pro [ C28 H39 N5 O8, overall=58.02, db=58.02, CAS ID=2646-61-9, KEGG ID=C03183, METLIN ID=65925 ]	2646-61-9		Z-Gly-Pro-Leu-Gly-Pro	+	590.3038	2.772	58.02	C03183	(591.311, 1895.8)(592.3157, 827.25)	FindByMolecularFeature	C28 H39 N5 O8	1
Zinnolide	Zinnolide [ C15 H18 O5, overall=53.47, db=53.47, CAS ID=99257-12-2, KEGG ID=C09983, METLIN ID=68063 ]	99257-12-2		Zinnolide	+	295.143	1.53	53.47	C09983	(296.1503, 2160.11)(297.1492, 733.13)	FindByMolecularFeature	C15 H18 O5	1
Zizyphine A	Zizyphine A [ C33 H49 N5 O6, overall=69.56, db=69.56, CAS ID=51059-42-8, KEGG ID=C10015, METLIN ID=68094 ]	51059-42-8		Zizyphine A	+	611.3673	1.838	69.56	C10015	(612.3746, 1704.89)(613.3774, 728.56)	FindByMolecularFeature	C33 H49 N5 O6	1
Zolpidem Metabolite I	Zolpidem Metabolite I [ C19 H19 N3 O3, overall=71.97, db=71.97, CAS ID=109461-65-6, METLIN ID=3072 ]	109461-65-6		Zolpidem Metabolite I	+	359.1264	6.06	71.97		(360.1337, 2456.59)(361.1325, 598.5)	FindByMolecularFeature	C19 H19 N3 O3	1
METABOLITES_END
#END