#METABOLOMICS WORKBENCH af548_20240930_111438 DATATRACK_ID:5252 STUDY_ID:ST003656 ANALYSIS_ID:AN006006 PROJECT_ID:PR002266
VERSION             	1
CREATED_ON             	January 11, 2025, 6:20 pm
#PROJECT
PR:PROJECT_TITLE                 	Profiling the human beta cell's molecular metabolic response to glucose
PR:PROJECT_TYPE                  	Non-target discovery-based FIA-MS profiling
PR:PROJECT_SUMMARY               	Metabolic homeostasis is maintained in part by pancreatic beta-cells.
PR:PROJECT_SUMMARY               	Understanding the molecular response of beta-cells to glucose fluctuations will
PR:PROJECT_SUMMARY               	uncover potential mechanistic targets to improve beta-cell functionality in
PR:PROJECT_SUMMARY               	diabetes. For this study we undertook a multi-omics approach using proteomics,
PR:PROJECT_SUMMARY               	metabolomics, and transcriptomics to map molecular networks that are changed in
PR:PROJECT_SUMMARY               	response to acute physiologic glucose stimulation in beta-cells purified from
PR:PROJECT_SUMMARY               	human donor islets. Moreover, we developed interactive analytical tools to
PR:PROJECT_SUMMARY               	integrate these multi-omics data sets and exemplify their discovery potential.
PR:PROJECT_SUMMARY               	One such discovery is a significant glucose-driven remodeling of the beta-cell
PR:PROJECT_SUMMARY               	proteome with programmatic increases in mitochondrial structure-function
PR:PROJECT_SUMMARY               	pathways. Surprisingly, this occurs in the absence of increased mitochondrial
PR:PROJECT_SUMMARY               	biogenesis. We find that glucose-regulated structural transitions in
PR:PROJECT_SUMMARY               	mitochondria lead to tightening of cristae junctions to meet the metabolic
PR:PROJECT_SUMMARY               	demand of insulin secretion. By broadening the spectrum of glucose-regulated
PR:PROJECT_SUMMARY               	protein, metabolite and gene networks, this work facilitates discovery of
PR:PROJECT_SUMMARY               	mechanisms for improving beta-cell functionality.
PR:INSTITUTE                     	Dana Farber Cancer Institute
PR:DEPARTMENT                    	Cancer Biology
PR:LABORATORY                    	Nika Danial
PR:LAST_NAME                     	Fu
PR:FIRST_NAME                    	Accalia
PR:ADDRESS                       	368 plantation st AS7-2002
PR:EMAIL                         	accalia.fu1@umassmed.edu
PR:PHONE                         	5088563679
#STUDY
ST:STUDY_TITLE                   	Profiling the human beta cell's molecular metabolic response to glucose
ST:STUDY_TYPE                    	Non-target metabolomics using FIA-MS
ST:STUDY_SUMMARY                 	In order to understand the complex multiomic response of human beta cells to
ST:STUDY_SUMMARY                 	acute glucose stimulation, we performed untargeted metabolomics on human beta
ST:STUDY_SUMMARY                 	cells treated with low or high glucose (2.8 or 11 mM) for one hour. We detected
ST:STUDY_SUMMARY                 	a number of significant metabolites changing in overall steady state levels. We
ST:STUDY_SUMMARY                 	found cardiolipin-related species were increased in high glucose which
ST:STUDY_SUMMARY                 	corresponded with an acute programmatic shift in mitochondrial cristae
ST:STUDY_SUMMARY                 	remodeling which is required for insulin secretion.
ST:INSTITUTE                     	Dana Farber Cancer Institute
ST:DEPARTMENT                    	Cancer Biology
ST:LABORATORY                    	Nika Danial
ST:LAST_NAME                     	Fu
ST:FIRST_NAME                    	Accalia
ST:ADDRESS                       	368 plantation st
ST:EMAIL                         	accalia.fu1@umassmed.edu
ST:PHONE                         	5088563679
ST:NUM_GROUPS                    	2
ST:TOTAL_SUBJECTS                	4
ST:NUM_MALES                     	2
ST:NUM_FEMALES                   	2
ST:PUBLICATIONS                  	TBD
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:GENOTYPE_STRAIN               	n/a
SU:AGE_OR_AGE_RANGE              	18-48
SU:WEIGHT_OR_WEIGHT_RANGE        	21-32.7
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           	H2410	1	Sample source:Pancreatic beta cells | Gender:F | Treatment group:low glucose	BMI=32.7; AGE=28; RAW_FILE_NAME(Raw file name)=BOSq_2022061615432_E00000150_20220616_P1-A1_1_NEG.d
SUBJECT_SAMPLE_FACTORS           	H2410	2	Sample source:Pancreatic beta cells | Gender:F | Treatment group:high glucose	BMI=32.7; AGE=28; RAW_FILE_NAME(Raw file name)=BOSq_2022061615432_E00000150_20220616_P1-A2_2_NEG.d
SUBJECT_SAMPLE_FACTORS           	H2406	3	Sample source:Pancreatic beta cells | Gender:F | Treatment group:low glucose	BMI=21; AGE=18; RAW_FILE_NAME(Raw file name)=BOSq_2022061615432_E00000150_20220616_P1-A3_3_NEG.d
SUBJECT_SAMPLE_FACTORS           	H2406	4	Sample source:Pancreatic beta cells | Gender:F | Treatment group:high glucose	BMI=21; AGE=18; RAW_FILE_NAME(Raw file name)=BOSq_2022061615432_E00000150_20220616_P1-A4_4_NEG.d
SUBJECT_SAMPLE_FACTORS           	H2392	5	Sample source:Pancreatic beta cells | Gender:M | Treatment group:low glucose	BMI=24.3; AGE=40; RAW_FILE_NAME(Raw file name)=BOSq_2022061615432_E00000150_20220616_P1-A5_5_NEG.d
SUBJECT_SAMPLE_FACTORS           	H2392	6	Sample source:Pancreatic beta cells | Gender:M | Treatment group:high glucose	BMI=24.3; AGE=40; RAW_FILE_NAME(Raw file name)=BOSq_2022061615432_E00000150_20220616_P1-A6_6_NEG.d
SUBJECT_SAMPLE_FACTORS           	SAMN23481790	7	Sample source:Pancreatic beta cells | Gender:M | Treatment group:low glucose	BMI=28.4; AGE=48; RAW_FILE_NAME(Raw file name)=BOSq_2022061615432_E00000150_20220616_P1-A7_7_NEG.d
SUBJECT_SAMPLE_FACTORS           	SAMN23481790	8	Sample source:Pancreatic beta cells | Gender:M | Treatment group:high glucose	BMI=28.4; AGE=48; RAW_FILE_NAME(Raw file name)=BOSq_2022061615432_E00000150_20220616_P1-A8_8_NEG.d
SUBJECT_SAMPLE_FACTORS           	n/a	Pooled1	Sample source:Pancreatic beta cells | Gender:- | Treatment group:low glucose	BMI=n/a; AGE=n/a; RAW_FILE_NAME(Raw file name)=BOSq_2022061615432_E00000150_20220616_P1-A9_Pooled1_NEG.d
SUBJECT_SAMPLE_FACTORS           	n/a	Pooled2	Sample source:Pancreatic beta cells | Gender:- | Treatment group:high glucose	BMI=n/a; AGE=n/a; RAW_FILE_NAME(Raw file name)=BOSq_2022061615432_E00000150_20220616_P1-A10_Pooled2_NEG.d
#COLLECTION
CO:COLLECTION_SUMMARY            	Primary human islets, obtained from the University of Alberta and the IIDP, were
CO:COLLECTION_SUMMARY            	processed and from these the beta cells were sorted based on positive Newport
CO:COLLECTION_SUMMARY            	Green staining in our lab. None of the donor tissues obtained were excluded,
CO:COLLECTION_SUMMARY            	inclusion criteria include: BMI of normal range (20-26), non-diabetic, not
CO:COLLECTION_SUMMARY            	carrying any known disease, and striving for equal numbers of male and female
CO:COLLECTION_SUMMARY            	donors.
CO:COLLECTION_PROTOCOL_ID        	n/a
CO:COLLECTION_PROTOCOL_FILENAME  	n/a
CO:COLLECTION_PROTOCOL_COMMENTS  	n/a
CO:SAMPLE_TYPE                   	Pancreatic beta cells
CO:COLLECTION_METHOD             	islet isolation
CO:COLLECTION_LOCATION           	various
CO:COLLECTION_FREQUENCY          	n/a
CO:COLLECTION_DURATION           	n/a
CO:VOLUMEORAMOUNT_COLLECTED      	10000 IEQs
CO:STORAGE_CONDITIONS            	4℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Beta cells were metabolically synced in RPMI media containing low (2.8 mM)
TR:TREATMENT_SUMMARY             	glucose for 30 mins, then media was change into fresh RPMI containing 2.8 mM
TR:TREATMENT_SUMMARY             	glucose for 1 hour and harvested, and an additional set was treated for an
TR:TREATMENT_SUMMARY             	additional hour in fresh RPMI media containing high glucose (11 mM) and then
TR:TREATMENT_SUMMARY             	harvested. During all treatments cells were kept in a tissue culture incubator
TR:TREATMENT_SUMMARY             	at 5% CO2 and 37C.
TR:TREATMENT_COMPOUND            	D-glucose
TR:TREATMENT_ROUTE               	cell culture RPMI media
TR:TREATMENT_DOSE                	2.8 mM or 11 mM
TR:TREATMENT_DOSEDURATION        	1 hour
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	All samples were treated and collected by flash freezing in liquid nitrogen
SP:SAMPLEPREP_SUMMARY            	until all donors were collected so that the extractions and injections took
SP:SAMPLEPREP_SUMMARY            	place at the same time for all samples. Polar metabolites were extracted in hot
SP:SAMPLEPREP_SUMMARY            	(75C) ethanol for 3 mins at room temperature. Extracts were dried by vacuum
SP:SAMPLEPREP_SUMMARY            	centrifugation at 4C and stored in -80C until they were run on same day.
SP:PROCESSING_STORAGE_CONDITIONS 	-80℃
SP:EXTRACT_STORAGE               	-80℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	n/a
CH:CHROMATOGRAPHY_TYPE           	None (Direct infusion)
CH:INSTRUMENT_NAME               	none
CH:COLUMN_NAME                   	none
CH:SOLVENT_A                     	n/a
CH:SOLVENT_B                     	n/a
CH:FLOW_GRADIENT                 	n/a
CH:FLOW_RATE                     	n/a
CH:COLUMN_TEMPERATURE            	n/a
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	General Metabolics LLC
AN:DATA_FORMAT                   	.d
#MS
MS:INSTRUMENT_NAME               	Agilent 6550 QTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	Briefly, 1.5 µL was injected using a MPS3 autosampler (Gerstel).
MS:MS_COMMENTS                   	Isopropanol/water (60:40, v/v) was used as the mobile phase with 1 mM ammonium
MS:MS_COMMENTS                   	fluoride with a flow rate of 150 µL per min. For online mass axis correction,
MS:MS_COMMENTS                   	homotaurine and hexakis(1H,1H,3H-tetrafluoropropoxy)phosphazine were added to
MS:MS_COMMENTS                   	the mobile phase. Mass spectra were recorded in profile mode from m/z 50 to 1000
MS:MS_COMMENTS                   	with a frequency of 1.4 spectra/s for 0.48 min using the highest resolving power
MS:MS_COMMENTS                   	(4 GHz HiRes). Source temperature was set to 325°C, with 5 L per min drying gas
MS:MS_COMMENTS                   	and a nebulizer pressure of 30 psig. Ions were annotated by matching their
MS:MS_COMMENTS                   	measured mass with the compounds listed in KEGG database for Homo sapiens,
MS:MS_COMMENTS                   	allowing a tolerance of 0.001 Da, only deprotonated ions (without adducts) were
MS:MS_COMMENTS                   	included, and duplicate matches were retained.
MS:ION_SOURCE_TEMPERATURE        	325
MS:NEBULIZER                     	30 psig
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Intensity
MS_METABOLITE_DATA_START
Samples	1	2	3	4	5	6	7	8	Pooled1	Pooled2
Factors	Sample source:Pancreatic beta cells | Gender:F | Treatment group:low glucose	Sample source:Pancreatic beta cells | Gender:F | Treatment group:high glucose	Sample source:Pancreatic beta cells | Gender:F | Treatment group:low glucose	Sample source:Pancreatic beta cells | Gender:F | Treatment group:high glucose	Sample source:Pancreatic beta cells | Gender:M | Treatment group:low glucose	Sample source:Pancreatic beta cells | Gender:M | Treatment group:high glucose	Sample source:Pancreatic beta cells | Gender:M | Treatment group:low glucose	Sample source:Pancreatic beta cells | Gender:M | Treatment group:high glucose	Sample source:Pancreatic beta cells | Gender:- | Treatment group:low glucose	Sample source:Pancreatic beta cells | Gender:- | Treatment group:high glucose
Acetone	32369	49893.5	17808.5	24590	42703	62769	31957.5	54299	31910.5	44377.5
Potassium acetate	6060.5	10698	3066.5	4089	6178.5	13554.5	6118.5	13795	4603.5	8657
Acetamide	6951.5	4491.5	3157	4207	22275	16066	9746	9322	12072	10142
Propanol	10230.5	10586.5	9538	10312.5	10282	10913.5	11339	12207	9906.5	11524.5
Peroxynitrite	578262.5	1025562	859255	2228951.5	675851	372799	2685420	563522	1497499	2144691.5
Butynal	7065.5	8697.5	4483	4908.5	11045	11982	7369	17490	7471	9927.5
Butynol	12311.5	13013	9304.5	9359	11746.5	13829	13408.5	16570.5	11959	12952.5
Acrylamide	5071.5	5443	4034	4072.5	17901	15094	9819	8886.5	8927	9694.5
Propenoic acid C3:1	74896	153204	23246	29616.5	74748	218699.5	83676.5	208362	67517	164966
Butanal	6787.5	8616.5	6344	6323.5	10030	9416.5	8025.5	10221.5	8664.5	8280.5
Glyoxylic acid	12284	15640.5	9030.5	8957.5	13421	15923.5	15638	17035.5	16576.5	14780.5
Propene-thiol	13112.5	12215	8533	11897	12109.5	11731	11960.5	11946	11502.5	11619
C3:0 (Propionic acid)	23942	26178	16532.5	16377.5	25930.5	34595	25154	62648.5	25521.5	29642
Glycine	27047	32200.5	11273	16137	9699	10023.5	34732.5	33347	23199.5	23136
Thioacetic acid	8115	9949	5893	7389.5	9019.5	8854.5	9584	8492.5	8115	10126.5
Glycolate	12178	18507	7857	8894	12529.5	15696.5	14494.5	17196.5	13027.5	15845.5
Benzene	9026.5	10943.5	8380.5	7843	12568	11369	10665.5	9993.5	9738	12143
Methylfuran	19820.5	20992	13382.5	15903	22025.5	18830.5	20170	23615	18537.5	18111
Methyl propenyl ketone	35329.5	40008.5	27659.5	29747	40008	35854	36034	32915.5	37544.5	39233.5
Acetone cyanohydrin	8767	8836	7051	8847.5	11034	10977	13920.5	10526	10872.5	11849.5
Succinic aldehyde	144232.5	238217	69046.5	80961	194557.5	320351.5	148487.5	311622.5	130817	230570.5
Iso-Valeraldehyde	11895.5	13804.5	9774	11426.5	17027	15932.5	13169.5	13201.5	13132.5	15088.5
Dehydroalanine	8654.5	10659.5	6853.5	7229	8651.5	7796.5	9990.5	8456	9039	7485.5
Alanine	189792	205583	64802.5	97330	450508	375912	371838.5	301339	286002	270462.5
Lactate	335734.5	795977.5	208369.5	523137.5	580975.5	1859623	395201	431637.5	388199	949190
Thioglycolic acid	4268.5	4317	3150	2705	4278	4722.5	3803.5	4629.5	4079.5	3720
Toluene	29373	34553.5	19480.5	24134	35065.5	33328	30135.5	27769.5	26873	29253
Aniline	6496.5	6566.5	4579.5	6065	5125.5	6090.5	7558.5	6555.5	5841.5	6073.5
Methylpyrazine	200000	798552.5	262344	714641	78403.5	113704	206595.5	211860.5	193466	437202
Hydroxypyridine	64671.5	70371.5	59317	69661	58567.5	55894	81936.5	75898	69821.5	71303.5
Furfural	69492	85484	71987	65874.5	65301.5	91485	63081.5	94984.5	71299	80971
Cyclohexenone	25485	23809	30894	31317.5	25472.5	24625.5	25001.5	24358	25888.5	27585.5
Cyclohexanone	44357	50616	34734.5	39904.5	44604.5	43792.5	47020.5	44627.5	46162.5	48298
Dihydro-dimethyl-1H-imidazole	12651	12611.5	11249	10744.5	12160.5	11989	13016	13091	13207	12248
Piperidinone	5726	6435.5	4910	4905	11102.5	10288	7028	6160	8321	7609.5
Valerolactone	60950.5	69261	44690	54367	68412	63786.5	65106.5	63138	65467.5	67474.5
Homoserine lactone	12004	14727	9844	12463	17413	17524	15760	14123.5	13569.5	13707
Pentanamide	9252.5	9795.5	9464	10381	51557.5	31070.5	11828	10472.5	21030	16185
Oxobutanoic acid	73341	100099	35871	49551	301912	367502.5	69364	177906	137186.5	169289
NDEA	18454.5	21095.5	11721	12435	14020	13585.5	17827.5	15996	15359.5	15430
Aminobutanoic acid (ABA)	146355.5	176164	143728	173929.5	772527.5	594531.5	375992.5	324850	348040	316878.5
Hydroxybutanoic acid	28885	31392	20358	27080	56612	67954	26862	30287.5	37524.5	41506
Pentanethiol	10867.5	12222	11148.5	13279.5	44276.5	33246.5	21819	21029.5	21490	21442
Serine	22458	67870	17766	52049.5	12707	14784.5	25293	24377	19823	38911
Glyceric acid	29984	18325	11642	12425.5	29709	28106	26121.5	25678.5	28697.5	28572
Diethylene glycol	11262.5	12564	9648.5	15238	10996	10275.5	14706.5	10471	12032.5	15374.5
Dihydroperoxypropane	9773.5	10320.5	5724	7834.5	9437.5	14809.5	10312	14678.5	8462.5	16437.5
Benzyl alcohol	70538	73964.5	49278	55522.5	67478	69158	68877.5	63217.5	71934.5	67743
Benzosemiquinone	41047	41324.5	30759	37377.5	41753	39474.5	41086.5	39599.5	39940	45577
Vinylthiophene	77758	72859.5	57113	65975	72982.5	65975.5	78018.5	69417.5	68568.5	73577
Catechol	66156.5	72257.5	53708	58000.5	86594.5	88267	68258.5	66753.5	75880.5	76614
Histamine	6468	9074	5953.5	7003.5	6018	6235	13427.5	11407.5	8371.5	9869.5
Monomethyl sulfate	333782	382048	245958.5	301206	284661.5	257684	322280	275391	584613.5	401927
Furoic acid	130508.5	104722.5	64216	84742	363778	269368.5	135240.5	611028.5	170515	168293.5
Uracil	22710.5	26612.5	13179.5	17850.5	42031.5	31770	25249	93203	27094	26715.5
Nitrofuran	6409.5	6416.5	4831	5853	6996	6128	7894.5	6065.5	7221	6876
Pyrroline carboxylic acid	26380.5	20768	16111.5	18197	90568.5	81098	37200	35893.5	48288	41740
Creatinine	9541	9231	6018	7656.5	10775	11944.5	10807.5	28958.5	10589.5	10876
Hydroxy-pentadienoic acid	168352	389813	60589	76325.5	140465	476200.5	160261.5	470592.5	132503	339767.5
Di-propenyl sulfide	8387.5	12358	4976	4785	11059	17715	9680	15278.5	8659.5	14425.5
Delta-Hexanolactone	37814	43681.5	27449	31901.5	48748	43436.5	38424.5	38888	40738	43531.5
Maleamic acid	41369.5	29022	20573	28989	215687.5	173482	84846.5	72947	103181.5	91141.5
Proline	139477.5	205448	32256.5	52028.5	24491.5	25223.5	168929.5	168765.5	92120.5	102848.5
Fumarate	76005	64350	29041	39897.5	102217	91293.5	116728	116534	90905	84778.5
Ketovaline	82443.5	94327	60810.5	70288	100995	96843.5	84585.5	90743	91132.5	95506.5
Aminopentanamide	12511.5	13245.5	9661	10803.5	21966	20756.5	12576	10969	15378.5	13928
Aspartate semialdehyde	15771.5	14719.5	11046.5	13588	16908.5	15702	17153	18274	15337	20039.5
Guanidinoacetic acid	13735	14995.5	9036.5	10721	9306	9654	19434.5	18990	13565	15115
Indole	17833.5	19270	8432.5	10438	10362.5	9424.5	16412	16796.5	13873.5	13050.5
Valine; Betaine	61449.5	108672	21561	42532	109237	117278.5	42433.5	48853	55408	73462.5
Benzofuran	14963.5	15531.5	10953	11528.5	17606	22961	14631.5	13065.5	14516.5	17629.5
Hydroxypentanoic acid	36407.5	39291.5	28829	34941	60610	78779.5	38774	37215.5	42007.5	49824.5
Diisopropyl sulfide	11554.5	14597	8393	11195	15405	14557.5	11440.5	10495	13026.5	13219.5
Threonine	34253	48873	15285.5	24691.5	21678.5	27406	26456	26345.5	24492	33529.5
Tetrose	68904.5	87052	46204.5	59466	74669.5	105575	75075	104204	82593	109452
Phenylacetaldehyde	124445	148424	71807	84334	145078	156522	123241.5	117941	103222.5	141949
Benzamide	10407.5	12167.5	8497	10405.5	10614	10845	11365	10680	9294.5	12412.5
Mercaptolactate	20102.5	21642	8330.5	10123	17357.5	19225	16877.5	20367.5	22342	17993
Benzoate	246715.5	279858.5	202643	210239	285502	267974	264380.5	242929	266575.5	295939
Nicotinamide	18347.5	19627	14091	16347	21563	21035	20114.5	19584	17942.5	21134.5
Phenylethyl alcohol	31196.5	32822.5	21901	25193	29767.5	27259.5	29879.5	29320	29460.5	32675.5
Nicotinate	31029	25157.5	17626.5	16413.5	24393	22350.5	26105.5	25867	26377	24761
Orcinol	47162.5	43582	47238.5	57306.5	47116	46431.5	48501	45992	48516	44595.5
Dimethyl-cyclohexen-one	30112.5	33455.5	31242.5	34396.5	29886.5	28566	27420.5	26428.5	32136.5	28422
Taurine	65679	91330.5	395270	591602	57020	63698.5	712893	701821.5	336287	395351
Ethylmaleimide	13224.5	13523.5	14428	16136.5	15374.5	19137	18775.5	17113.5	14170	17032.5
Methyl-thiophenecarboxaldehyde	45462	55698.5	45627.5	57449.5	53232	47290	65976.5	59887.5	46516.5	58404
Pyrogallic acid	69218.5	83728	58466.5	66317	73037	75185.5	94657	123973	75250.5	79818
Amino-imidazolecarboxyamide	5863	6420.5	5228.5	5915	19958.5	13986	7965	8175.5	9028	9318
Toluene-cis-dihydrodiol	49397	56099.5	37956.5	52672.5	55152	50675.5	57102.5	50374	53864	64444.5
Sulcatonea1	34008.5	38406	25742	30583	33412.5	30797.5	35667	35109	36608	35389.5
Trihydroxypyridine	9534	10975.5	10929	9930	11344.5	12291	17155	14229	13337.5	12681.5
Dihydro-dimethyl-furandione	62559.5	66105	43684.5	54448.5	63433.5	64360	67106	58082.5	59301	68940.5
Ethyl tiglate	71710	78170.5	46750.5	51966	72162	67182	72973	65894	77235	72906
Cyanuric acid	6689	7179.5	6106	6526	7092.5	6273.5	6609.5	8632.5	7833	7532.5
Goitrin	4194.5	3675	4995	4250.5	4671	4581	3839.5	3094	4694.5	3648
Oxoproline	720189.5	1008074	650047.5	1179494	1842707	1308780.5	1146407.5	843929.5	1342287	1204066.5
Pipecolate	8569.5	11187.5	6860	11062	18788	16938	11652	9846.5	13784.5	14087.5
Itaconate	59273	47119.5	31039.5	38078	263939	324750.5	61459.5	94653.5	120472	134595
Methylthio)methyl]-butenal	45635.5	64776.5	43193	72342	119234	85514	72573	53355.5	85417	76355.5
Methyl-oxopentanoate	105496	125069.5	81864.5	89253.5	126763.5	114048	114331.5	105889.5	109981.5	115663.5
Oxosuccinamate	5105.5	6985	7479.5	7627.5	7175.5	5264.5	6324	5833.5	7054.5	7097.5
Aminolevulinic acid	144735.5	91327.5	67714	93132	861197	684409	296308	264316.5	398944.5	325181.5
Iso)Leucine	191044.5	327454.5	41514.5	91165.5	57115	68719	130446	132835.5	114276.5	136169
Glutarate	64583.5	70535.5	40348.5	48202.5	63093	76028	65631	82504.5	72717.5	75959
Asparagine	29017.5	36041.5	9440.5	14909.5	13639.5	14352	25136.5	23629	19147.5	20552
Cinnamaldehyde	18122	20101	10667	13983.5	35910.5	27427	24156.5	21764.5	25082.5	23260.5
Mercapto-methyl-pentanone	17176	16132	10446	11275.5	58496	44159	26455.5	23893.5	31672.5	28064
Ornithine	53329	127350	28325	68891.5	153811.5	130203	62028	52227.5	102660.5	87088
Aspartate	106298.5	130100.5	72259	121509.5	153816	147125.5	531218.5	368887	214831	185727
Hydroxy-valine	5150	5287	3983.5	4604.5	35623	37823.5	8760.5	6160	15249.5	16146.5
Malate	285595.5	203306.5	53405	89773.5	130685.5	115812.5	431823.5	429961	248158	225670
Deoxyribose	30436	30237	16082.5	21676	39157.5	44776	40371	32124	36622.5	36747.5
Indan-ol	36056	35347.5	23707	28482.5	33813.5	33225.5	32849	32850.5	31275	31224
Benzothiazole	5749	5433.5	4749	7343	5343	5376	6861	5755	6293.5	9563
Adenine	57263.5	64286.5	81488.5	113373.5	89444	96651	96177.5	81897.5	74454	102362.5
Phenylacetamide	9632.5	10197.5	9206.5	10859	9606.5	9899	10881	14519	9305.5	10699
Threonate	126649	52682	29287	37686.5	107391.5	103648	153397	156902.5	137905	131894
Phenyl acetate	688888	907525.5	492955	587194	815549.5	749631	719666	703079.5	651361.5	733951
Methylerythritol	21845	27085.5	16401.5	18402.5	26026	23718.5	24483.5	24611.5	21674.5	24053
Propylphenol	27141.5	28714.5	22628.5	26868	28249	28365	32148	27517	27489	32034.5
Sodium salicylate	47986.5	46564	36926	37117	44101.5	45513	44220	43701.5	42669.5	46402
Tyramine	10425.5	12348.5	6841.5	9948.5	10931.5	11160	10619.5	10959	10615.5	11443.5
Hydroxybenzoate	271200.5	410020	227372.5	279534	276123	319017.5	285769.5	266903.5	280608.5	329726.5
Urocanate	258699	882719	272953.5	725870.5	148676	178658	267556	283326	240048	485969.5
Hydroxypurine	27849	54535	25887	44865.5	26411.5	27812	30786.5	29601.5	28753	39073
Carbamoyl phosphate	38450	42985	36862	41332.5	39400.5	40343	46658	38320	36992.5	40490.5
Methamidophos	21093.5	22616	22424.5	22282	21760.5	19951.5	24837.5	21090	22966.5	25008
Ethosuximide	11194	13288.5	9623	10794.5	14993	18606.5	12482	12628	12455	15214.5
Thien-ylacetate	111198	131923.5	71190	77173.5	105115.5	98117.5	113576	112345.5	117532	119533
Ectoine	11190.5	13907.5	8090	8053	9857.5	8717	14846.5	15813	10181.5	12650
Methyl-heptanone	10632.5	14493	8485	9332.5	11440	12224.5	11174	12130.5	11179	11614.5
Hydroxymethylclavam	10804.5	10155	7698.5	8689.5	10172	13123.5	11387	10340	11356	10179
Methylquinoline	5868.5	5501.5	3597	3396	3712	3619.5	5347	4845.5	5033	4606
E)-(Trimethylammonio)but-en...	5038	7163	4328	4604.5	7470.5	9446	6241.5	5760.5	5890.5	8074
Dimethylmaleate	53567	87442	35017.5	40731.5	57684	112430	56996	145595	54259	93858.5
Amino-piperidinecarboxylic ...	8695	10443	6496.5	7348	9027.5	11067	10394.5	9856.5	9340.5	9831
Octanoic acid	430905.5	493662.5	353971.5	374929.5	469215.5	444772	418590.5	410929.5	421803.5	439150.5
Acetylcadaverine	19885.5	22477	16015	16918	21159.5	20242	19910	19323.5	19216	20780.5
Homoagmatine	11039	11877	9012	9815	11365	11252	10572	10488	10567	11447.5
Methyleneoxindole	21507	23599.5	25260	28006.5	23516	26402.5	41996	38195.5	30453	30299
Acetamidobutanoate	23859.5	21590	13673.5	19509.5	340374	198963.5	28748	27179.5	117351	75441.5
Oxoglutaratea1	18450.5	15646.5	11137	13181.5	181993	183987	17330	16335.5	58925.5	61554
Coumarin	11105	12686	9253	12030.5	18012.5	16451	13016	12282.5	12836.5	12234.5
Methylglutaric acid	126783.5	143354	76934.5	87185	129845.5	129351.5	137556.5	124331	115485.5	147360
Glutamine	513904	599636.5	30681.5	43186	66140	62949	311485	232527	233289	190614.5
Lysine	67303	121830	32107.5	49763.5	88818.5	92487.5	64152.5	59945.5	111463.5	69700.5
Acetylcholine	10718.5	14143.5	7042	8564.5	11824.5	12002.5	12231.5	9573.5	13152	11993
Octanediol	19044.5	24894	12095	13614	16682.5	16056.5	16217	16116.5	17351.5	15252.5
Glutamate	629579.5	755587.5	148664.5	302123.5	2642556	2013608.5	815535.5	715193.5	1003823.5	915324
Methylthiopentanaldoxime	44068	52509.5	7030.5	10330	49766	41419	36396.5	29737	34138.5	31919
R,3R,4R)-Amino-hydroxy-meth...	25140.5	16311	4815	6319.5	47346	48341.5	20272	16356	23005.5	23735
Hydroxyglutaratea1	148504	111087	34621	47389.5	666071.5	901986.5	109640	141861	289645	326381.5
Methylthio)propyl acetate	51667.5	62409	17365	26491.5	186630.5	158688.5	60900.5	54577	75365	74741.5
Mevalonate	50220	47654.5	26524	35907	216735.5	226706	49160	46728	82208	93468.5
Cuminaldehyde	16303.5	17391.5	10882	12317.5	24600.5	25019.5	17913.5	16183.5	17928	17481
Nornicotine	6215.5	5257	3049	4331.5	14744	17829	5704	5861	7958	8816.5
Methionine	17413	25395.5	5453.5	7446.5	9897.5	11768	9774.5	11046	9933.5	11428.5
Asparagusic acid	10482	25727	3605	5806	8064	25400.5	8678.5	24708	5689.5	15044.5
Thiodiacetic acid	18921	35584.5	7830	12242.5	15157	36247.5	15575.5	30431	15652	28196.5
Tartaric acida1	44052.5	46555	29053	31811	40820.5	43248	43436	39793	45172	44770.5
Phenylglyoxylic acid	23881	22364	17515	19518.5	26444	28243	22822.5	22710	23219.5	24860
Pentosea1	21070	19883	12959	19177.5	18565.5	24256.5	36142	39379.5	33820.5	33102
Hydrocinnamic acid	53332	57882.5	34823	38696.5	51404	49386	51606.5	54010	47068.5	51665
Benzisothiazol-3(2H)-one	9160	12202	9505.5	12763.5	11168	10496	13721.5	14627	10487.5	44901.5
CMethylcysteine sulfoxide	33585	26463	9235	7118	33279	37550	32656.5	34546.5	25431.5	25156
Acetaminophen	9257	8830.5	7180.5	8517	8345.5	9629	10143.5	10776	11838	10188.5
Xanthine	14819	19914.5	17441	26338	17469	15944.5	26154.5	27685	25153	25679.5
Hydroxyphenylacetic acid	137471	153933.5	118085.5	130763	144378.5	132006	140621.5	132644	132830.5	137514
Isopropyl-benzenediol	61184.5	73422.5	49608.5	54062	70080.5	67964.5	67428.5	65331	66256	65138.5
Hydroxyanthranilic acid	38515.5	35199	22482.5	24136	38831	37888	38009	39839	35691	35170
Methyl propyl trisulfide	165451.5	158964	106474.5	117295.5	153980	144265	163688	147749.5	201625.5	177691
S,5S)-Carbapenam-carboxylic...	12171.5	11125	8783.5	9052.5	11732	10577	11260	11969	12634	13096
Histidine	88230	145844.5	31758	81689.5	42091	38196	71693.5	72535.5	83592.5	91349
(sulfooxy)acetic acid	25206.5	18536	11945	14105	24377	18101.5	24426	22748	26634	23541
Dihydroxypropane-sulfonate	75488.5	63514	36107.5	39863.5	65141	62086.5	75958	76242	83256	74165
Ascladiol	33633.5	33141.5	25548.5	30858	34179	34576	35184	35764.5	35237	36882.5
Hydroxymethyl-methyluracil	8278	8238	6906.5	6980	9998.5	9029	9417	9733.5	11475.5	9444.5
Hydroxy-octadienoic acid	72166.5	82667.5	50687.5	59877	70633.5	69147	75435	69029	75549.5	71745.5
C9:1	49135.5	56396.5	39640.5	39620	51466.5	49552.5	49147	48180	46894	51908
Menthol	10169.5	9560	7214.5	8334	10475	10235	10360	10705.5	9332.5	10342.5
Aminomuconic acid	21851.5	18270	12926.5	16975	99022	85757	35570	33663	48493	40442
nitrosonaphthalene	9840	13536.5	4992	7504.5	7029	7466	13024	12637.5	10095	10548
Methylcrotonylglycine	9913.5	9405.5	7426.5	7738	12182	10557.5	9505.5	9805	9218	9046.5
Isopropylmaleate	46359.5	50106.5	33011.5	42104	76471.5	57611	52214.5	46287.5	52292	55350
Oenanthic ether	747604.5	879787	583512	635268	775206.5	730398	680159.5	689749.5	678657.5	737747
Amino-methylenepentanedioic...	10607.5	9907	8964	10093.5	10092.5	10498	15629.5	15442.5	15249.5	13110
Methylbutyrylglycine	12965	16040.5	8406.5	11898.5	16247	17561.5	14987	13309	15717	17704
Oxoadipate	36670	34360	24177	25083	33848	38064.5	37984	41726	36848	44490
Pimelate	86567.5	91642.5	66037	74299.5	96420	87680	94947.5	83571	88135	91056.5
Ala-Ala	18239	14807	9147.5	14177.5	286438.5	233858	15016	12421.5	95101	72104
Dehydrocarnitine	6806.5	7417.5	6296	7053	17967.5	16178.5	11670.5	7683.5	10493.5	9713.5
Indolecarboxylic acid	12869	12514	9987.5	10914	10947.5	10046	12781.5	32309.5	11871	14351
Aminoadipate	18104	18591.5	7661.5	9137	34476.5	40463.5	19534.5	16778	26562.5	24523.5
Methylthiohexanaldoxime	3690.5	3938	3881.5	3882	24007.5	19719	4286	4464.5	9594.5	8533.5
Umbelliferone	19297	28148	12779.5	14841.5	16761	31355.5	17744	31494.5	18285.5	25151.5
Hydroxyadipatea1	98993.5	123671	57562	76394.5	116356.5	180787	208179	492948.5	138035.5	189596.5
Cymarose	37055.5	50780.5	19397	24844.5	44290.5	44792.5	43393	47753.5	37001	37701
Phenyl-pentanone	8311.5	9524.5	6054	6614.5	8971.5	9989	9309.5	10454	8450.5	8993
Methyldioxyindole	7708.5	7275	5314	5891.5	6789	8065	7976.5	11918.5	7015	8267.5
Amino-dideoxy-hexose	5069.5	10518.5	4681.5	7371	6683	10802.5	14068.5	6995	9187.5	35932
Coumarate	30619	31638	22812.5	22987.5	35561	37560.5	26819	27202	31227.5	32348.5
Deoxyhexosea1	33932	37880.5	25808	35167.5	39887	41371.5	48317	37201	49290	44422.5
Pyridoxolactone	12481	13227.5	8651	11261	13122	12642.5	14897	14067	13557	14252
Methylguanine	4079	4317.5	3847.5	4828.5	3651.5	4489.5	10200.5	10864	5423	5243.5
Phenylalanine	115982	201510.5	22227.5	45334.5	86771	105576	65342	76778	72791.5	94876.5
Phthalate	73942.5	77748	42517.5	44490.5	85206.5	82194.5	77010	90988	82749.5	79513
Pentonic acida1	140603.5	134948.5	82921	94201.5	132190	122848.5	132060	139610	147498.5	140858.5
Hydroxyphenyl)propanoic acid	46978.5	53251.5	33913	40289	146663	218029	47480.5	45530	70893.5	94384
Methyl-pentenyl)thiophene	17237.5	27547	6123.5	8257	16806	18390.5	14726.5	13167.5	14415	14909
Nopol	8561.5	9278.5	6777.5	7420	10520.5	10612	7803.5	7920.5	8159.5	9237.5
Quinolinate	13333	13411.5	10847	11263.5	12883.5	14073	15139	14251	16904	16461
Pyridoxal	19278	16963	13382.5	14307.5	16763	16276.5	15978	15666	15615.5	19163.5
Undecenal	23073	29403	15127.5	17508	27382.5	24564.5	24213.5	22672.5	19674	23814
Phosphodimethylethanolamine	71978	115641.5	41373	62576	57694	65075	151746	149353.5	79871.5	90623
Methyl-His	8692	12369	6712.5	6598.5	15358	13857.5	10730	10380	11857.5	10483
Pyridoxaminium(1+)	3720.5	5482.5	2694	2641.5	7413	6414.5	4897	4745	4755	5225
Homoarecoline	8119	9351	4948	6760	9683.5	9672.5	8290	7612.5	8185	8255.5
Gallic acida1	59646	68902.5	34384.5	37817.5	64560	62175.5	64175.5	56520.5	64981	66993
Dihydroxyphenylglycol	39834	44318.5	29237.5	32460.5	41551.5	36776.5	45666	42220.5	40735.5	41436
Methyl naphthyl ketone	29506.5	29430	15553.5	18120	28574.5	26976	27864	29295	22459.5	28662.5
Levetiracetam	8641	10539	6473	7053.5	10091	8275.5	8302	8201	8384.5	8787.5
C10:1	45539.5	54723.5	33499.5	36615	48651	44052.5	45039.5	42534.5	38209.5	42244.5
Undecanal	7572.5	10741.5	5768.5	5434	8804	8709	7608.5	7819	7754	8008
Tetrahydrodipicolinate	17459	16518.5	9660.5	10970	199975.5	120166.5	16390.5	17472.5	69839.5	48645
Crotanecine	7252	9499	6817	7585	15518	15550.5	7918.5	7383	10054.5	11489.5
Toluene-sulfonate	499825	612328	192062.5	279813.5	397764	325290	553902.5	431493	455908.5	450903
Octenedioic acid	105472	109070.5	73096.5	104518	113880	102869	136507	112235	119481	123580
Decanoic acid (FA10:0)	353418	401771	268912	294971	356939.5	343134.5	330044.5	333665.5	332208	347724
Azaserine	358750	213698.5	42114.5	28585	344476.5	361678	335486	343276.5	231436.5	216939
Acetyl-Glu-semialdehyde	16030	14101.5	7190	8146	30293	26824	17022	15623	19522	19107.5
Phenol sulfate	125501	126083	56874.5	76787.5	83006	83854.5	124981.5	110916	113162	112275.5
Aconitate	45366.5	46678	21275	27928.5	70227.5	55164	52533	103965	50550	50383.5
Shikimate	85724.5	77065.5	48993.5	58556	90688.5	84553.5	94742.5	83204.5	101312.5	98911
Acetylornithine	17435	21515	9861	11978.5	48558	47311.5	17848.5	16276.5	29229	25788
Arginine	46238.5	59245.5	23629	32606.5	45587.5	37620	62723.5	46742.5	65939.5	41710.5
E)-Sulforaphene	9674	10137.5	5619.5	6297.5	7618	8309.5	19133	15675	10057	11873.5
Acetyl-Asp	1311603	612698	565674	870225	8615094.5	7205364	2902008.5	2538905	3969244.5	3464531
Hexuronic acid; Ascorbate	47460	33704.5	27090	20307	47995.5	48038.5	58930.5	61195.5	44734.5	49172
Naphthalenertriol	68154.5	38194.5	35592.5	46802.5	387995	330863.5	134123	123259.5	194722	158865.5
Oxo-methylthiohexanoic acid	103085	49640	47960	68804	665840	552170	215643	195129.5	300877	260506.5
Propylmalate	46018	35930	20977.5	27094.5	342531	205946.5	56161.5	41873	113773	89538.5
Cladinose	30515.5	33280	17218	19694.5	37931	33785	32249.5	31638.5	35502	33657.5
Methyl-phenyl-pentanone	8600	7509.5	5738	5996	17066.5	14636.5	10384	9296.5	10829.5	9949.5
Hydroxy-methyl-Glu	11346	11383.5	5820.5	7075.5	15076	12912.5	15537.5	15576.5	14385	14121
Dihydroxycoumarin	18424	15911.5	14012.5	13929.5	16103	15222.5	18983	20139.5	18408.5	20005.5
Cys-Gly	115620	78374	33602.5	36686.5	93629.5	98214.5	100927	104437.5	89700	78269.5
Methoxycinnamic acid	41821	47953	26436.5	30614.5	42372	46910.5	43956.5	44838	39194.5	47137
Digitalose	13733.5	13220.5	7188.5	10256.5	14294	14954	16306.5	14866	17680	15724.5
Phenylvaleric acid	35314.5	40347.5	27852	31497	38747	39273.5	35950	36251.5	37845	37019
Propofol	9359	9314	5778	7160	8758.5	9487	8855	9656	9592	8005.5
Isoxanthopterina1	9747	8876	4689	5024.5	9359.5	10371.5	11432.5	9713	8299	8788
Hippurate	17513	14521	8326.5	7835	16828.5	19246	17770.5	64631.5	17544	15300
Cyclohexylsulfamate	30695	22167.5	8805	8941	32687	31135	32490.5	52730.5	26397	22943
Hydroxyphenylpyruvic acid	36158.5	37466.5	27169	27848	42594	36745	39801	39631.5	37922.5	36868.5
Hexose	313155	510496	246432	380564.5	180312	546400	1281083	1664509.5	503523.5	834287.5
Tetramethyl-dioxaspiro[4.4]...	17805.5	20140	11777	12778	17063.5	17633.5	21492	23732.5	16913.5	20212
Dodecatrien-ol	11747.5	13464	9076.5	9719	11285	11191.5	12819.5	12375.5	10913.5	12879
Acamprosate	43210.5	36114.5	19206.5	18646.5	41700	43877.5	43800.5	41888	38241	37573.5
Tyrosine	114506	197119.5	28668.5	55141	43747.5	43513.5	81501	93133	65388.5	88071.5
Methylynephrine	6214	6281.5	4420.5	4322.5	5914.5	6884	6670	6724.5	5701	6181
H-benzodioxole-carboxylic acid	84804	84308.5	63736.5	71021.5	84920.5	79034.5	87732	79229	89511.5	88688
Methyluric acid	13320.5	10247	7682.5	7677	11413.5	10946.5	11818	11876	10896.5	10262.5
Homovanillic acid	53398	55346	33917.5	34623.5	82953.5	139513	48346.5	44357	62594.5	79539.5
Mannitol	33191.5	61540.5	24241	35257	42186	55091.5	65581	48119	43024	51583.5
Amyl furoate	34831.5	35978	25243.5	30946.5	38498	36403.5	37334	32889	32018	37375
Geranyl formate	16448.5	16559.5	11424.5	13734.5	15347.5	15203	17127	14549.5	16360.5	15820
Pyridoxate	19731	24733.5	15467.5	16234.5	17919	16538	29555.5	22284.5	25267	21323
Adrenaline	7846.5	7521	5471.5	6808	9198	8900	9879.5	8090.5	9679	8965.5
Pyrone-dicarboxylate	31980	39670	23346	25840	28652	38761	30667	37171	29822.5	37152.5
Polystyrene sulfonate	22008	23105.5	15222.5	14984.5	19931.5	16767.5	21661	20997	20092	20965.5
Dihydroxymandelate	47181	49571.5	23966.5	27200.5	43527.5	41486.5	50185.5	47768	41646.5	38290
Choline-Pa1	37053	42114	28680	33883.5	36718.5	36000	41101.5	38369.5	41924.5	44730
Citronellyl formate	43708.5	50581	30023	30456	44874.5	46833	43796.5	43566.5	40764	44945
Dodecylaldehyde	9938.5	11170.5	8248.5	7044	9974.5	9820.5	10440.5	9818	15233.5	10001
Phosphoserine	33081	49254.5	4725	5272	140976	117858	46712	45412	28019	30693.5
Sulfobenzaldehyde	79335.5	76607	51586.5	55713	72314	76487.5	79623	75585	91129	86104.5
Erinapyrone C	43985	43983	31735.5	34059	48108	43546	50788	46396	51168	58920.5
Undecanoic acid	122231.5	141753	94327	101855	125006.5	118637.5	122078.5	119672	116218.5	118376
Malonylamino)cyclopropaneca...	7321.5	9302.5	6804.5	6742.5	8580.5	9617.5	9823.5	8818.5	9946.5	10302
Keto-acetamidocaproate	19248	20056.5	17294.5	16875	39136	58492.5	21601	18399.5	24301.5	29642.5
Heptanoylglycine	41062.5	48538	27839.5	28967	42241	39810	43560.5	40652	39491.5	44570
Cresol sulfate	70782.5	48976	198873	187972	72636.5	61765.5	70951	64957.5	156129	105503
Pydanon	25361	17343	73747	68437.5	25975.5	23508	27720	22239	46512	39290.5
Tetrahydro-furan-diacetic acid	122863.5	109748	88228.5	118179.5	130100.5	111491	145387.5	121644	149818	162321.5
Trigoforin	39575	30812	31532.5	33937.5	72716.5	44035	43998	37513	57409	47345
Azelaic acid	169005	214366.5	134990.5	163248	170271.5	172435.5	210970	181053	192986.5	212634.5
Methyl-phenyl-hexenal	21290	22585.5	23979.5	25976.5	25650.5	29670.5	24076	23137	28661	27497.5
Acetyl-Glu	121395	41099.5	14444	44878	5085199.5	2779476.5	86202	64351.5	1552562	836816.5
Pyrocatechol sulfate	85087.5	91730.5	64776.5	72610.5	84187.5	76612	78924.5	89915.5	92772	84711.5
Coumarin-carboxylic acid	12155	13454	9934.5	12645.5	14464	12387	13595	13705	13605.5	13589
Dehydroquinatea1	113115.5	85692	44311	56730	112430.5	102634.5	108388.5	100670.5	124362	111299
Ethyl (acetylthio)butyrate	24290	12894	8062.5	11168.5	432258	236270	20216.5	18737	147051	79870.5
Hydroxysuberic acid	48572	41449	21898.5	27794	63179	49847.5	51745	46196	62909.5	56553
Damascenone	23082	25905.5	17192	18222.5	26585.5	26155	25314.5	23300	23210.5	24084.5
Indolequinone-carboxylic acid	11294.5	9988	7258.5	6052	11603.5	11045	12142.5	11554.5	10477.5	11293
Calystegine C1a1	6629	6623	4054.5	5054	21380	24708.5	8147	7067.5	10881	11704
Iso)Citrate	521804.5	269608.5	102077	202551	2191145.5	1508403	556116	3892148	793891	708469
Quinic acid	34173	26336	12712.5	20437	181495	54769.5	37175.5	71650.5	98015	47249.5
C12:4	30247.5	34275.5	22475	26601.5	36948	33971.5	31619.5	39825.5	34939	32840.5
Diisopropyl-methylphenol	8864.5	7927.5	5454	6084.5	10049.5	8421	9289.5	11307.5	8735	7807.5
Phenylacetylglycine	110563.5	57576.5	24790.5	20881	19484	15662	74796.5	45018.5	77195	37807.5
Ferulic acid	27849	28202.5	21974.5	23315	29476	26125	29248.5	30753.5	28612	31490.5
Hydroxyphenanthrene	379928	216879	50228	33746.5	322487.5	338168	335106	344526	263779.5	223889
Hydroxy-phenylpentanoic acid	60861	64127.5	42891.5	47084.5	60591	58848.5	59758.5	59397	57374	59402.5
Tetraethylene glycol	11088	14336	9831	16423.5	12322	12598	13315	13283.5	13795	16907.5
Salicyluric acid	9285	14765.5	7365	11555	9619.5	10683.5	13361	13800.5	12613.5	12209
Amino-hydroxy-hydroxymethyl...	33408.5	21133	7759.5	7052	29524	29462.5	32704	30838	25907.5	23246
Methyl-Tyr	24755.5	27929	16839	19297.5	25842	24492.5	25139	25739.5	23933	23819.5
Tetrahydroxypteridine	14902	15806	11630.5	11226.5	10991	12629.5	14296	15167	12583	16042.5
Hexonic acid	50663.5	46339	57565.5	87902	58713.5	50934.5	242373.5	240467.5	138463.5	125486.5
Homoveratric acid	50339	48079.5	31839.5	41117	47416.5	43632	61774	55701	52765.5	51048.5
Dimethoxy-propylphenol	23970	26763	18196.5	22462.5	26299.5	24621.5	26659	24323.5	24252	25500
Dihydro-(octenyl)-2(3H)-fur...	59473.5	68081.5	42749	49351.5	58511	56938	58774	55141	54238	57297
Dodecenal	7409	7383	5859	7096.5	7607.5	6958	6661	6977	5906.5	6611.5
Amino-dinitrotoluene	11294.5	13153.5	9140.5	12745.5	17250	15858.5	15257	15323	14193	15604
Dihydroxy-Phe	14036.5	14898	10476	13050	15453	16599	19361	20645	18112.5	18619
Acetyl-His	22050	22876.5	30468.5	39256.5	37434.5	34985	139342.5	119072.5	79074	63074
Metanephrine	6501	7423	5877.5	7311.5	8297.5	8332.5	10407.5	9160	8239	8894
Vanillylmandelic acid	42440.5	45317.5	22796.5	27294	40328.5	36987.5	45398.5	39474.5	41965	41592.5
Furanyl)-phenyl-propenal	15020.5	18106.5	10449.5	13850	14608.5	13771	23378	21263	17917.5	18377
Acetylamino-amino-methyluracil	8048.5	6342.5	5655	6059.5	6551.5	7643.5	9088	9149	8691.5	7521.5
Guaifenesin	36984	40617.5	29795	33643	37330.5	35279	45369.5	38504	41339.5	42104
C12:1	44301.5	47264	30686	32739.5	44248.5	43433	40812.5	44869.5	43493.5	42224.5
homoserine	11637.5	9762	7047	9539	70642	126803	9561.5	9608	19804	37852
Clavulanate	10955.5	12250	7911.5	9054	10754.5	11477.5	13171	12900.5	10950.5	12527
Isowillardiine	9005	9543	6912	7035	8881.5	9542	9835	8898	9424	9549
Methyl-thiazolyl)ethyl prop...	9301	8951	5292	5263.5	8836.5	8152.5	9900.5	9270	7850.5	7960
Acetyl-tetrahydro-hydroxy-(...	9044.5	11048.5	6804.5	7201.5	11469.5	11719	11743.5	10599	9398	11345.5
Ecgonine methyl ester	6076.5	6306.5	5326	4578	6873	6363	6720	6766.5	6475.5	5907.5
Dodecanamide	5062	5312.5	5337.5	5255	5151	4754	5474	4747	4736.5	5956
Vinylphenol sulfate	27362.5	29373	19059	19818	21283	27213.5	39058.5	31881	48446	38992.5
Dihydro-(methyl-pentenyl)-d...a1	48144	49697.5	35503	40053.5	48306	55249	63930.5	66944	57946.5	65906.5
Monobenzone	30090	30016	16465.5	21567.5	26329	27843.5	32810	31181.5	29073	33045
Methylpropoxy)naphthalene	20377	20830.5	20103	21463	21104	18944	21058.5	19229.5	22354.5	22750.5
Dodecanoic acid (FA12:0)	435421.5	502796.5	302580.5	329111.5	457617	465653.5	428739.5	428848.5	406780	423304
Sulfo-Cys	6372	7618.5	10637.5	12823.5	4593.5	4244.5	14365	12677.5	9857	10561.5
Thiabendazole	9682.5	10121.5	7859.5	8256	9409.5	13246	9894.5	10325.5	7887	10245
Capryloylglycine	9705.5	11505.5	7200.5	7450.5	9234	11155	11363	8736	9247.5	11694.5
Sulfobenzoate	31376	30427	23020	25128	29281	32485.5	30692	30381.5	34543	34852
E,3E)-Hydroxybuta-diene-1,2...	16324	15108.5	8965	7703.5	14782	17032	15957.5	16570	14297.5	13902.5
ethylphenylsulfate	12848	11718	7787.5	8383	11599	14071	11904.5	11931.5	14003	11604
Diethyl oxalpropionatea1	88792	83045.5	53666.5	63478	89285	85917	103538.5	85652	102160.5	107274
Acetyl-dimethyl-2H-benzopyran	19738.5	19930.5	13639.5	15830	20570.5	20806	22751.5	17911.5	20778	21758
Sebacic acid	87525	95811	57619	67037	84803.5	80252.5	96253	82397.5	89352	85375.5
Cystathionine ketimine	6125.5	4552.5	4172.5	4641.5	4800.5	6329.5	6096	6498	5376.5	5984
Acetylaminoadipatea2	13905.5	14341	5496	10314	41530.5	45958	15467	14573.5	20802.5	20948.5
O-methoxycatechol-O-sulphate	35023.5	52111	28265.5	28754.5	30505	47059	32916	52199.5	31803.5	42987
Daucic acid	59022.5	45098	11832	14352	15617.5	15297	38927	27597	38430	29158
Trihydroxy-(hydroxymethyl)-...	69916	64342.5	31429.5	47471.5	72023	66298.5	84912	67544.5	82956.5	82748.5
Anofinic acid	20416	20024.5	15823.5	19924	22935	23576	24521.5	22648.5	23461.5	23568
Tryptophan	40593	62720.5	11553.5	20871	11520.5	13585	30304	35261.5	26054	28780
Diethyl (2R,3R)-methyl-hydr...	45363	43307.5	24940	31405.5	41493	41412.5	51835.5	45318.5	54619.5	48886
Methyl-methylene-1,2,6,octa...	26686	25835	16771	17678	22862.5	24786.5	27022	24863	25467	26918.5
Phenformina1	6356.5	21369	5283.5	7771.5	7171.5	7208.5	9388	11102	6614	10586.5
Sulfoxymethylfurfural	16287.5	17206	14981.5	15969	15130.5	16512	24738.5	21842	19090.5	17723
Methyl -(methyl-thienyl)-pe...	19776	15867	10386.5	10235	17480.5	16041.5	21291	18289	19379	19969
Glycyl-Methionine	56162.5	35433	11182	9432	50817	55762.5	58448.5	53708.5	46527.5	40976
Ethyl trans-p-methoxycinnamate	32083	34600.5	23147.5	23571.5	31263	32081	33380.5	29742.5	27234	32351.5
Tetramethylbutyl)-phenol	4023146	4724109.5	2992059	3367474	4152128	4016579	3928220	3848068	3705808.5	3784248.5
Dihydrolipoamidea1	11873.5	10456	4618.5	5071	9640	26336.5	10775.5	10235	9345.5	16051
Acetyl-Phe	9710	9348.5	6839	7521	9844	11288.5	10309	8855	10120	10114.5
Naphthalenesulfonic acid	26400	45381	18527	21642	25300.5	31832.5	31013.5	44092	32023.5	240004.5
H-1,benzodioxol-yl)-oxoprop...	20971	19705	13043.5	15166.5	20353.5	19506.5	21679	19482.5	20603	27259
Methyl (Propynyl)-thiophene...	46436	68778.5	10765	11748	37719.5	77276	42833.5	72472	49073	67322
Benzylsuccinate	36999	37963	23118	26563.5	32897	37934.5	37528	36015	35739.5	41071.5
Chalcone	459672	259941.5	54495.5	34722	408726.5	428906	423387.5	410894	321330.5	271174.5
Isoelemicin	35829	34741.5	22528.5	22852	36130	35098	35769.5	35157	32700.5	32239
Tyr-OEt	14867.5	15355	10522	12493.5	15585	17006	17066.5	15494.5	15041.5	17728
Labienoxime	7930.5	7103.5	4459	5495	6356.5	7398	8346.5	6932.5	6357	6697
Vanilpyruvic acid	38328.5	35497	21005	24684	34583.5	29845	39832.5	34371	33043	35652.5
Thiolactomycin	36911	34284.5	16974.5	18957	42979	46569	42087.5	38268	37213.5	36356
Sinapyl alcohol	58338	61968.5	32473.5	35731.5	56013	50395	59765.5	54166.5	59440	54639
Jasmonic acid	22213	24375.5	16930	18101	25422.5	22785.5	22195.5	20464	23939	24232
C13:2	196142.5	227185.5	155111	166378	202131	175595.5	193270.5	181291	194365.5	172153.5
Methoxytyrosine	13573	14007.5	8689	10951	17124	15971	14981	13171.5	15860	15938
Zalcitabine	13819.5	16662	9844.5	10159	13318	11525	19918.5	19558.5	14486	13031
Thiotropocin	9004.5	8134.5	10933.5	11364	9099.5	10569	9399	9164.5	11153.5	10553.5
Phosphinomethylmalate	15180.5	15449.5	12660	14024.5	21897	27898	15796	17261.5	18335.5	19609.5
Urolithin B	12414.5	13001.5	10373.5	10864.5	20625	16170	13955.5	13291.5	13817	15185
Vanillactic acid	31574.5	31279	19198.5	22307	31044	30361	33599.5	27969	33987.5	30122.5
Benzyl Benzoate	35404.5	27478	13016	11550.5	29044.5	30773	35566	35308.5	26371	26391.5
Glycyl-Histidinea1	16649.5	15150	7215	7391.5	14270	12918.5	16176.5	14904.5	11917.5	11996
Methyleneazelaic acid	28552	31491	23659	21287.5	28254.5	27825.5	30505	28700	28997.5	29669.5
Cucurbic acid	99898	127579	65258.5	79286	114506.5	105231.5	102800.5	100475.5	97469.5	104746
Undecenyl acetate	22675.5	28626	17135.5	19512.5	24311.5	25271.5	23044	23992.5	22529.5	24483.5
Phosphoaspartate	6746.5	9245.5	4353	5933.5	23830	24483	13330	13104	11303.5	10771
Indoxyl sulfate	5589	7141	4139	5248.5	9800	9523	7818.5	7700.5	8886.5	7534
Droxidopa	9080	8257.5	5219.5	7035.5	10410.5	13851	8594	7969	8897	10525
Benzothiazolesulfonamidea1	27801	53419	16191	22111.5	30342.5	24785.5	36931.5	31914.5	27698.5	49617.5
Dinitroguaiacol	14584.5	15833	12097.5	14136.5	17947	20718	15664	21700.5	20773	28428.5
hydroxy-(trihydroxyphenyl)p...	29150.5	31786	18925	18441.5	31668.5	27649	35609.5	34165	30722.5	35006.5
Phenyl salicylate	14964.5	16648	15247	14426.5	17160	16597	16872.5	17503	14883	17937
Hydroxy-IQ	51175.5	51102.5	35311.5	39062	48108	49842	56745	51010.5	54904	58892
Hexyltetrahydro-oxo-furanca...	42361	42322	29896.5	33461.5	42234	39553	42935	40533	38770.5	40582.5
Oxododecanoic acid	54086.5	66355.5	43457.5	45093.5	58166	55668.5	58027.5	53486.5	53457.5	55704
C13:0	113784.5	130215.5	80826	82609	115036.5	116951	116939	114737	105894	112302
Glycerylphosphorylethanolamine	204647	301621	134227.5	217950.5	44134.5	60120.5	419909.5	457616.5	200221.5	251885
Succinylproline	17675.5	17702	10517	13592.5	16858.5	18156.5	20790	21435	17707	21371
Nonanoylglycine	17272.5	19375.5	14218.5	13044.5	19932.5	19731	18504.5	22031.5	16858.5	21999
(ethenyl-hydroxyphenyl)oxid...	24389	25644	16958	18816	23158	23802.5	25491.5	26523	26365.5	25904
Dihydroxydibenzothiophene	21507	22251	19637	20740.5	23854.5	26114	23690	25723	24417	28882
C-Methyl-erythritol phosphate	4639947.5	4849587	1660512.5	2336584	2924065	10223342	3621787	9245226.5	5767526.5	10387414
Undecanedioic acid	49914.5	52893.5	31167.5	33207.5	44684.5	59652	51893	60373	53568	63949.5
Hydroxydodecanoic acid	41442.5	50062	30721.5	32542	40047	50784.5	43336	49466.5	44791.5	55336
Pymetrozinea1	11500.5	9129	5826	7518.5	19037.5	29544.5	12690	13129	17271.5	20001
Sulfosalicylic acid	40618.5	36586.5	16514	18333	21720.5	23756	25154	26013.5	26351.5	28230.5
Diphenyl disulfidea1	45004	49303.5	37333	44260	42898	46617.5	51300.5	48506	42258	50718.5
Nookatone	7573.5	6967.5	5457.5	5146.5	6580.5	10814	7192.5	10098.5	7287.5	10223.5
Nitrophenyl sulfate	15781.5	18094.5	11485.5	11473.5	15879.5	16574.5	16867.5	18806.5	14876.5	15750.5
Amino-methyl-phosphomethylp...	132325.5	137134.5	51806.5	70412	89868.5	295686.5	112540.5	263855.5	164512	309187
O-Succinyl-homoserinea1	23197.5	12250.5	5793.5	6490.5	46855	399158.5	21057.5	18780	25407	123278.5
Asparaginyl-Serine	9593	7641	5893.5	5582.5	9570.5	28630	10487	10174	10659.5	17080
Cis-zeatina1	663961	319322.5	25114.5	29436.5	153609	77420	479844	342143	416107	241332
Thidiazurona1	37200	38054.5	21108.5	23740	31024.5	77475	35013	65151	45365	76671.5
Hydroxypyrenea1	235216.5	153548	35135	22960.5	223093.5	244849	222838.5	227362	161807.5	160736
Di-tert-butylbenzoquinone	17580	16884.5	13490	13584.5	17062	14869	16495.5	17044.5	14502.5	16995
Histidinol phosphate	7406	7782	4933.5	4965.5	7888	9164.5	7312.5	8213	6997	8302.5
Deoxysepiapterin	30938	22065.5	8399.5	8891	28372.5	32613	29587.5	30956	24597	24637
Formetanate	15391	10078.5	5643.5	5470.5	8566	7220.5	14018.5	12184.5	10495.5	9474.5
Flavonea1	61853	45022.5	14905.5	12197.5	56372.5	66212.5	63925.5	78796	44053	46200
Ethyl glucuronide	24793.5	22314.5	11321	10706.5	27037	31019.5	27486	61134.5	24211	26960.5
Monoisobutyl phthalic acid	63388.5	66649.5	41981.5	46547	61933	64415.5	68060	67662	65182	63044.5
Annuionone B	23958	28427	20641.5	21923.5	26562.5	26488	28410	26598	25927.5	25264.5
Rishitin	53936.5	60686.5	37494.5	42983.5	52015	47734.5	51837.5	53367.5	50644.5	53131.5
Cerulenin	6646	7053.5	4765.5	6268.5	7861.5	6757	8096	6777	7372.5	7335.5
Diplosporin	27746.5	28882.5	19460	20078.5	26565	26723	26650.5	26087	28075.5	25760
Epoxyeremopetasinorol	49978	62035	34078	38540.5	53792.5	51058.5	52834.5	50013	50750	47132
Bis(furanylmethyl) disulfide	50411	58217.5	21943	24810.5	33524.5	31711	45523.5	41306.5	43490.5	41530.5
Chorismate	26069.5	24305.5	15158.5	15442	25995	27106.5	26336	29319.5	28958.5	26973.5
Acetylamino-formylamino-met...	20918	30688	8475	13535.5	12418.5	17068	20659	23456.5	20751	22079.5
Allixin	30095.5	32552	20152	19653	27857	27873	31861.5	25064.5	30072.5	29720.5
Methyl dihydrojasmonate	34700	35586	23063	23379	34911	30562.5	32743.5	33003.5	35750	35468.5
C14:1	38234.5	38809	24726	27336.5	36740	39860	37297	36605	34701.5	35039.5
E)-oxoprop-en-yl]phenyl}oxi...	101586.5	91786	81877.5	85987.5	85097.5	97153	89916.5	94725	100497	109054.5
Fenaminosulf	15381	14488.5	12491	12431	13828.5	15722	16832	14096.5	20223	17583
Prolylhydroxyproline	38768.5	50222.5	15726	26498	23487	25100	45789	40030	35472	52244.5
Traumatic acid	48624.5	57965.5	34022	34630	47928	49516.5	49996	49726	47060.5	48774
C14:0	509627.5	562332.5	303341.5	345725	519288.5	526816.5	547419	552851	460861	481030.5
Asparaginyl-Proline	14679	18051	8657.5	11409.5	8544	9625.5	22071.5	24785	14232	15776
Decanoylglycine	23892.5	24957.5	16287	18254	22583	23864.5	24080	23089	23455	31087.5
Hydralazine pyruvate hydrazone	43639	38537	28332.5	32110.5	42483	41893	47749.5	43338.5	47023.5	50594.5
Naproxen	15938.5	15307.5	15024.5	16409.5	13486	13824	17134.5	15296	18119	19043.5
Dicyclohexyl disulfide	31066	30588	25872	28909.5	30070	30665	35784	28913	35838.5	35103
Epoxy-eudesmatrien-one	11057	9897.5	13896	13258.5	11028	11045.5	10570	10756	13730.5	14310.5
Dodecanedioic acid	42603.5	43485.5	33522	37118.5	42133	41992	43331.5	41605	45210	48317.5
Methyl-(methylethyl)cyclohe...	26744.5	30960	24869	26559	27623	27262	26360.5	24424.5	27776.5	28617
Paracetamol sulfate	10930	11741.5	8193.5	8084	17675	15775	12775.5	13273	13400.5	11294.5
NSuccinyl-glutamic acid sem...	16444.5	7733.5	6247	7695.5	189458	393896.5	7431	6930.5	65704	121825
Isovalerylglutamic acid	7268.5	8218	4913	6676.5	9358.5	13485	11580	7888	10620.5	12535
Isobutyryl-carnitine	8031.5	6872	4803	6075.5	7064	7285	15105	8396	8613	8047.5
Chrycolide	30047	29003.5	24281.5	27191.5	33133	29050	30169	28342.5	30128.5	30907.5
Hydroxy-methoxy-2H-furo[h]-...	25326.5	26409	19230.5	23995.5	26678	26062.5	27604.5	24812.5	27064	27140
E,11Z)-[(Methylthio)-penten...	24717	23674.5	15260	17309.5	25280	24141	30662.5	26810.5	26303	28110.5
Cassiachromone	21184	21512	15819.5	18311	29537.5	33501	22439.5	20128.5	25111.5	26727.5
Glycerol propanoate diacetate	39549.5	36269	19212	24223.5	39178	40109.5	54662	40719	48891.5	48462.5
NSuccinyl-ornithine	21321	15495	11527	13798	150914.5	225673	19272	16411.5	47844	70119
Pterosin O	10414	10603.5	6316	7593.5	10073.5	10537	10725	9708.5	11488.5	9486.5
Casimiroin	8612	9152	7490	8209.5	10922.5	10323	10163.5	8419	9420	9909
Hirsutin	32829	7974	4654.5	8952.5	1034291.5	1150374.5	10946	9812.5	294284.5	325908
Bithiophen-yl]-butyn-ol	77893	95905	70722	85030	89982.5	75421	92619.5	80365	63518.5	91011
Hydroxybiphenyl-sulfinate	43027.5	46114.5	45967	52047.5	47185.5	45285.5	49970.5	45890.5	48325	48449
S,11S)-Pterosin C	22160.5	24671	15114	17420	25483	26983	24012.5	23539	21710	21508.5
Benzoylagmatine	13039	11638.5	6831.5	7316.5	12606	12745	12751	12774	12469.5	11551.5
Valerenic acid	116231.5	137677	88744.5	96520.5	120083	114352	114682	109762.5	116225	114200
Acetylhexosaminatea1	8408	7822.5	5218.5	6867.5	15854	18996.5	11271.5	11576	11547	12288
Oxo-carbofuran	9333	6984.5	5444.5	5268	8209	7711.5	8335	7165	7722.5	7745
Dillapional	27185.5	23374.5	18950.5	20119.5	23476.5	22152	28083	26284	26788.5	25042.5
Methionyl-Serinea1	810062.5	486412	103395.5	61540.5	737760	801816	744612.5	761967	567463.5	514109.5
Heptyl hydroxybenzoate	33482	35746	25024.5	23809.5	32192	33108.5	36710.5	32082	32314	32548
Capsidiol	33151	34972.5	25365.5	24985	34807	33460.5	35119.5	32348	28853.5	32338.5
Sepiapterina2	164723.5	96170.5	21894	15454.5	148617.5	162943.5	154135.5	153223.5	111410	100346.5
Pirimicarb	21037210	11616744	1438804	781472.5	19513578	20976251	19962525	20272227	14586559	11926662
H-benzodioxol-yl)methyliden...	461659	221158	31885.5	19905	405822	451147	421144.5	418171	277765	228727.5
Dantron	111684.5	57456	17768	13315.5	97334.5	110427	102911.5	103866	70349.5	61633
Propyl (propylsulfinyl)prop...	262452	223614	121567.5	126422	243307	245064	233570	235756	216986.5	215634.5
Indole-carboxilic acid-O-su...	39620	22455.5	7320	5866	38399.5	41093.5	39719	91714.5	26644	23977
Genipinic acid	51547.5	50411	27242.5	26166	49383	51062.5	58429	57024.5	49281	57381
Carboxy-dodecanolide	60351	57288	30146.5	34157.5	56714	55497.5	60409.5	58852.5	53350	49742
Oxotetradecanoic acid	48945.5	51181	31196	31238	49713.5	47324.5	46792.5	50268	44724.5	42886.5
C15:0	233210.5	265407	156445	176802.5	229633.5	227383.5	237393.5	238502	206694.5	214633.5
Tiglylcarnitine	15110.5	14855	7010.5	8579.5	16347.5	18817.5	23687.5	23618.5	14952.5	17263
Undecanoylglycine	174110	191598.5	131333.5	122551	175550.5	168868	172001	171979.5	190909	201131
O-sulphate	33832.5	34902	20607.5	23978	28539.5	36604.5	33594	37739.5	31217	33748
Uridine	27144	26515	18022.5	21002	45667	38565.5	31735	57520	35439.5	32233.5
Polyethylene, oxidized	32756	33833	19303	22622.5	32448	32873	36880	38767	38915	35383
Undecanedicarboxylic acid	44261	49750.5	30890	31290	42175.5	43104.5	51441	44924	48004	47786
Hydroxymyristic acid	28361.5	29927.5	19946.5	19692.5	27629	28037	28428	27599	26034.5	28297.5
Debromohymenialdisine	17949.5	24626.5	14157	17912	23019	30142	34940.5	35655	27694	29881
Glycerophosphoglycerol	63942.5	71373.5	35556.5	56054	190067	198821	138968.5	132407	126461.5	131159.5
Dihydrouridine	13722.5	13300	10051.5	11807	15460	15785.5	15320.5	13680.5	14893.5	14367
Hydroxydodecanedioic acid	26155.5	22309.5	15998.5	17216	22257	22296	26565	23576.5	29376	24209
Amylcinnamyl acetate	14533.5	14685	12524.5	12723	13238.5	13802.5	14892.5	13053.5	14312	15073.5
MG(10:0/0:0/0:0)	12981	11295	10046	9562	12310.5	10519	12149	11713.5	12169	11374
Glutaminylthreonine	9398.5	8683.5	5569	6358	14392.5	19524.5	8957.5	8137.5	12413.5	12285.5
Coriandrone E	83422	87050	42021	31494.5	64859.5	96212	66430.5	102541	83451	110761
Prenyl hexoside	17361	16525.5	8587.5	10234.5	15747	16134	19033	17608	20050	19351.5
Sulfapyridine	9203	7735	4411	5589	7932	6416.5	7362.5	7536	7609	7621.5
R)-O-Phospho-sulfolactate	29203.5	42147	15112.5	18234.5	23183	54547	28081.5	49824	25822.5	55308.5
Sulfonyldiphenol	26352	23485.5	23823	28457.5	23776.5	21411.5	35538	29815.5	29850	27307
Glutamylcysteine	42765.5	30970	12295	11488	31258.5	34955.5	44046	39830.5	32564.5	30534
Methoxycanthin-one	16169	14325.5	8314.5	9353	15851.5	13754	14310	14769	13842.5	15954.5
Methylthio)pentylmalic acid	928776.5	986266	326133.5	391134	798720.5	586119.5	1136794	945387	847494	873492.5
C16:3	18347	18798	12064.5	12283.5	16057	16643.5	21137	22635	16966	17223.5
Morindaparvin A	17069.5	16111	13798	13584.5	15505	17124.5	15777	14785	17035	15534.5
O-(Z-p-Hydroxycinnamoyl)-(x...	31836.5	33598	21393.5	18454	31015	28669.5	37373.5	33908.5	32136	32660
Anisindione	125869.5	94264.5	40048	39179.5	102597.5	106231	126062.5	116294	98557	93266
Trimethoxyphenyl)-butanedione	35910.5	34982	22402	23422	35538.5	30739.5	40219	34757.5	35428	35223.5
Tetramethyl-(oxobutyl)-cycl...	25202.5	29289.5	26372.5	22891.5	24417	23984	26790.5	24622	28641.5	26449.5
Hydroxyepiacorone	21294.5	23404	19830	18863.5	20154	20537.5	21779	20179.5	20966	21091.5
C16:2	15919	16093	14301	15664.5	13065	14323	13639	15104	15360.5	16750.5
Acetylvanilalanine	11918	12918.5	8143	7795	13489	12358.5	14789.5	11934.5	11019	12605.5
H-1,benzodioxol-yl)-hydroxy...	34080	32444	21282.5	22872	43886.5	29315	42898	32834	33548	39502.5
Methyl (2,dihydroxy-methylb...	24643	24099.5	18672.5	18821.5	24427.5	25341	24659	23083.5	24527.5	24048.5
Lubiminol	19007.5	21744.5	20090.5	19066.5	20309.5	17961.5	20846.5	20335.5	20847.5	19280.5
Glucosylarylamine	8119	9692.5	6683	7218	8351.5	9738	7691.5	9555	8744	8351
HC Blue No.1	7844	9229.5	6279	7359	8369	7545.5	8306	10944	8469	10082.5
[(methyl-oxo-phenylbut-en-y...	15905.5	14678	11882	12523.5	15184	14844.5	15587	15958.5	16208.5	15567.5
R,3S)-Piscidic acid	25472	21380.5	14573	15287	23143.5	22860.5	24013.5	27928.5	23753.5	22282
Dihydrodaidzein	15049.5	16767.5	14135	14663	16864	18338.5	17847	17354	19398.5	20059.5
Acetoxy-IQa1	43470	46143	21713	23458.5	41486.5	41739	49513	45404.5	44972	44870.5
Xenognosin A	16068.5	16481	12825.5	13890	14034	13105	16669.5	14611	16782	17321.5
Methoxy-(trimethoxyphenyl)-...	34337.5	35722.5	22727.5	25184.5	31832	31404	34739	32538	36595.5	34888.5
Nonyltetrahydro-oxo-furanca...	31364	34066	21724	24438	30185	26727	34093.5	32311.5	31145	30119
Ipomeatetrahydrofuran	41653	54390	33760.5	34868.5	43565.5	41920.5	48795.5	50277.5	42710	43782
C16:0	10857826.5	16668699.5	6902104.5	10188704.5	7909193	8589723	11679668	11545573	8883319.5	10398107.5
Glycerophosphocholine	33464.5	47253.5	18133	27852.5	30642.5	38429	56747	58312	33691.5	39426
Hexenoylcarnitine	12351	15692.5	9054	9881	13543	12836.5	16624	13243.5	12293.5	13629
Lauroylglycine	14241	22319.5	12267	11425	12805.5	14037.5	22758	17961.5	15482.5	16941.5
Glycero-phosphocholinea1	53841.5	44741	21611.5	20933.5	51758	55282.5	57785	54902	45779	46341.5
Linalyl benzoate	22346.5	20033.5	9054	9162.5	19343	22835	22805.5	21810	17445	17453
Tetradecanedioic acid	43354.5	43230	25407	25773.5	45382.5	43557	50439	48111	52568.5	44363
Hydroxymyristic acid methyl...	29186.5	31175.5	17301.5	16845.5	29850.5	28837	29736.5	29758	24779.5	26539
Glucosamine sulfate	11753	11242.5	6039.5	5858	12152.5	18904.5	12710	11592	11941.5	12363.5
Hexose Pa1	26457	31230.5	14778	22298	54530	46130.5	26530	95251.5	25778.5	32539
Furanmethanol hexoside	5538833	3152153	442976	246987	5035820.5	5731774	5106267.5	5327251.5	3077662.5	3057566.5
Methasulfocarb	14936	15097.5	7331.5	8824.5	13770.5	16721.5	15817.5	15906	13417	13517
Methoxyacetaminophen sulfate	14242.5	15612	6659	8448.5	13081	15867.5	15360	20412	13641	13627
Demeton-methylsulphon	19158.5	23119.5	14575.5	17724.5	23295.5	23544.5	22064.5	25114	19581.5	21737.5
Dihydro-methoxy-[(methoxyph...	19572	16576.5	10059.5	12137	18623	19385.5	23152	19845.5	18807.5	17226.5
Phaseolic acid	22971	31973.5	13290.5	19097	22431	23472.5	32814.5	25759.5	28185.5	30244
Santalyl acetate	10634	12331.5	9125.5	9997	12615.5	12371	11423	11637	11342.5	11644.5
Dimethylthiambutene	67757.5	46692.5	14233	12349	66608	68762.5	63677	64732.5	48380	47094.5
Pentathiadecane dioxide	11660	13255.5	12441	12901	11971	16305	11785	15238.5	14705	14670.5
Dihydro-(methyl-pentenyl)-1...	62947.5	68821	47757.5	44812	56709	57699.5	62967.5	64717	62070	62679
Acetoxyeugenol acetate	17653.5	17190.5	11674	13886.5	18256	17465.5	21186	18523.5	18176	18967.5
Acetyl-formyl-methoxykynure...	9437.5	10752	7643	7590	11418	12054.5	12152.5	11785.5	11293.5	11495.5
CEHC	25023	28070.5	14099	16300	23064.5	23729.5	27164.5	22186.5	26447.5	26205.5
Oxo-dinor-phytodienoic acid	21027	20903.5	13983.5	14782	18943	20554	19015.5	19493	19386	18973.5
Cedryl acetate	9521.5	10078.5	6565	6373.5	8502	8321	9475	8288.5	8948	8095.5
Isoniazid ketoglutaric acid	30212	40377	20520.5	32490	37121.5	44241	59459.5	66046	35600	43106.5
Ungeremine	78307	77964.5	46853.5	43100	66107.5	50269.5	87218.5	90618	67249	79664.5
Methoxy-methylisoflavone	17419	15743.5	11073.5	10899	15286	15563	18957.5	17726	15517.5	18243
Nevirapinea1	261472.5	316623	134049.5	154507	266507	271351.5	271560	252330.5	202645	278097.5
Methyl 2E,hexadecadienoate	10867	9303.5	7132.5	9049.5	10446	10654.5	11175.5	10568	9330.5	10116.5
Octadecenal	8501.5	11566.5	5442.5	7313	8394	8047.5	10135.5	8632	7119	7164
Coumesterol	12904	12278	11781.5	11978	13287	13786	14455.5	13867	14476.5	13891.5
Formononetina1	157498.5	85445.5	33003	28852.5	126538	128326.5	135258	130211.5	131338.5	94084
Disperse Blue 1	27621.5	24946.5	19035.5	16675.5	23012.5	22619	26537.5	26689.5	26680	26222
Eugenyl benzoate	14678	12950.5	11128	10847	13833.5	15848.5	16730.5	16172	14468.5	16413
Ripazepama1	31354.5	35806.5	22295.5	22521	30369.5	31331	34776	29540.5	32184.5	31957
Cyclohexaneundecanoic acid	45894.5	53410	34581.5	39251	42132	42738.5	44589.5	47331.5	41242.5	46250.5
Stearaldehyde	13554.5	15205.5	8269.5	8843	8761	7846.5	10889	11023.5	9505	10268
Acetyl-glutamyl phosphate	7007	6903	6219.5	4825	10576	10569	7711	7237.5	7209.5	7627
Methoxyphenyl)-methyl-pyrid...	8430	10606.5	6927.5	7105	8488.5	9298.5	9377.5	8843.5	9628	9851
Apigenin	13477.5	12144.5	15160	15665	13688	17758.5	13532.5	14054	15316.5	16598.5
Nonulose	21494.5	25152.5	14844	15344.5	17922.5	52650	17764	25873	22500	30250
Ethylene brassylate	26386.5	27662.5	23602	24828	24924.5	24828	24349.5	25135	27580	24840.5
Oxohexadecanoic acid	124459.5	147066	91676.5	87302	137010	127645.5	135529	133604.5	122090.5	122948.5
Tridecanoylglycine	17716.5	12527	10722	13787.5	18218	17539.5	22363.5	16199.5	16084	17138
Hydroxyphenyl)-gamma-valero...	17344.5	16325.5	24415.5	22004.5	13265	15047.5	16409.5	14406.5	20149	18879
Fukiic acid	15381	14147	16574	15629	14662.5	11946	15425.5	15002.5	16174	16554.5
Naringenin	17437.5	17474	19517	20499.5	18029.5	16787	17005.5	17182.5	23172	20991.5
Arbutin	22615	19239.5	21548.5	19983	22433	20168.5	24144	22776	23874	25479.5
C-aglycone	12126	11320	17547	16273	12009	13650.5	14278.5	12308.5	15224.5	14942
Verimol F	13560	11909.5	15959	16098	12672.5	12537.5	13311	11447	16515.5	14600
Bisabolene-tetrol	22807	23400.5	24140.5	23016.5	21822.5	23998	24591.5	24486	29792.5	27000
Hydroxy hexadecanoic acid	77703	90734	59011.5	60429.5	86896	80502	85617	86223	78469.5	82619.5
Disulfoton	13571	12526.5	9069	9642	12892	13499	12883	13083	10998	11552.5
Phloretin	11271.5	12631.5	10689.5	10558.5	12932	14208	12730.5	12829	13928.5	11493
Dikegulac	23106.5	22038	13061.5	13886	19004	19056.5	27762.5	25814	23870	20074.5
Norophthalmic acid	20624	29805.5	6441	6751.5	7332	8412	25371	16704	14746.5	14066.5
Epsilon-(gamma-Glutamyl)-ly...	11481	10382.5	6743	7412.5	9498.5	8961	11445.5	11186	10580	10080
Dihydropiperlonguminine	14904.5	11322	7575	6567	9862.5	10066.5	11607.5	9659	10228	9570.5
Hydroxyhexanoycarnitine	5474	6152	4252.5	3659.5	4661	4630.5	16017.5	5174	5105.5	4936
Acetylpterosin C	18841	20230	9486.5	10345	16540.5	18553	19645	19989	14178	14620
Norandrosterone	16271	16281.5	10887	12549	14578	14387	15459.5	16238.5	15212	15292.5
Glutaminylmethionine	46782.5	77942.5	32996.5	53495	62093.5	83566.5	106973.5	115909.5	55131.5	74316
C-Methyl-erythritol cycloPP	16203.5	15477	11152.5	12584	17352	18021.5	17475.5	19504	17548.5	17084.5
H,8H,9H-furo[h]chromen-one	27267	25956.5	13678.5	16746.5	28108	33248	28426.5	27489	22932.5	27499
Glutamylmethionine	15627.5	15389	8062.5	8657	16200.5	19598	17580	18573.5	15069.5	17570.5
Hydroxy-methoxydihydrokawain	22382	22578	12807	14234.5	21808	25185.5	27290	26098	21362	25506
Oxamniquine	18410.5	19063	11393	13751.5	16128.5	17167	19025	18281.5	19319.5	15738
Sulfametopyrazine	72045	68104	28493	28604	72015	72752	82154	81940.5	76082	75397
Hydroxyphenylacetylglutamic...	1144904.5	680397	154421	82501	1091800	1111197.5	1058337.5	1029022.5	802757	718372
Methylcoumestrol	25408	19855	12186	12089	26962.5	25610.5	23788	24740.5	23513.5	23985
[dihydroxy-(hydroxy-methylb...	52678	40884.5	18868	17563.5	44389	46891	48949	45979.5	42711	40372.5
Oxabicyclo[3.1.0]hexane-und...	20779.5	24067	13497.5	15124.5	20407.5	19691	22803	21964.5	18983	20111.5
Fosthiazate	26359	26683	15382	20276	22286	25810.5	29964	26622.5	27539.5	25428.5
Hydroxymetoprolol	15479	21948	8783	12651.5	21115	12282.5	20017	21561	17600.5	20134.5
Cresol glucuronide	28731	25841.5	16763	15955.5	29316	25153.5	29461.5	30535	27350.5	26808.5
Phenylethyl glucopyranoside	43938.5	47382.5	22500.5	25693	41751.5	40425.5	47446.5	41722	39149.5	42536
dihydroartemisinin	31891	35455.5	18772.5	21329.5	28962	31199.5	32936.5	30029	30948.5	30965
S)-Juvenile hormone III diol	38395	41889	25145.5	26521	38023	33853.5	37120	36000.5	37630	37710
Avocadyne	26726.5	29722.5	19790.5	20724	26471.5	26203.5	26103	27542.5	22099.5	27798.5
trihydroxy-(methoxyphenyl)-...	29333.5	39520.5	22115	29974.5	33803	37970	54685	53852.5	33863.5	41071
Arborinine	43531.5	29334.5	12531	15129	41102	26631.5	40464	28495.5	46115	26884
Isothipendyl	20316	24923	10794.5	14009	17431	18989	25771.5	21861.5	19727	20521.5
Methoxyfukiic acid	16529	17465	10013	11787.5	14778	15648.5	16183.5	54565	16433	15878
Hydroxyestrone	10869	12195	8018	9454	10612.5	12066	12555.5	11958.5	11351.5	10861.5
Hexadecanedioic acid	47677	46033	28752	27329	44547	43387	46399	45910.5	50784.5	43760
Avocadene	18281	23588	10968.5	13357	17659	16325	16172.5	17602.5	15868	15222.5
Tenofovira1	8813.5	9069	6508.5	6795	7801	7837	12272	11433.5	9596.5	10052
Tetraphyllin B	19424	11326.5	6739	6703.5	18222.5	11246	17969.5	11374	21246	12089
Eriodictyol	15042.5	14450	15249.5	15683	21999.5	19510.5	16725.5	16009	18906	17901
Methitural	14421	13552	10207.5	11345.5	14805	12365	16360.5	12103.5	17567	14389
Hydroxypentadecanedioic acid	14787	19086	10994	12773.5	16346	16233	16837.5	16477.5	17658.5	18299
Dihydroxyhexadecanoic acid	19822	17230	12728	12997	17829.5	17198.5	19951.5	19010.5	19797	17823.5
Benzoyl ecgonine	9157.5	8058.5	5497.5	5642	14379.5	16643.5	8836.5	8760	9486	10537.5
Bis(methyl-furanyl)tetrasul...	7677	10079.5	8420	8982	7062	11566.5	7665	10597.5	8991.5	10406.5
Oxydisulfoton	12687.5	17711.5	8961.5	11223.5	16199	16007.5	14084.5	14556	13219	14159
Epicatechin	14455.5	14736.5	11169	11731	14667.5	12394	14808.5	15713	15163.5	14745
Dihydro-methoxyyangonin	14379	12549	8569	9046.5	13409	14333	13506.5	12113.5	15309.5	13752
Dehydrogingerdione	11571.5	11690.5	8805	10263.5	12119	11777.5	13074.5	10976	12813.5	13160.5
Octen-yl hexoside	10625	10369	6871.5	8449	9351	10001.5	12631.5	9602.5	11794	11786.5
Hawkinsina1	6591.5	7936	5109.5	5696	7242	8595	8141.5	8067.5	7350.5	7359
Anhydro-acetylneuraminic acid	30674.5	24309.5	19279	24927.5	11090.5	11771	29204	27682	28617.5	25235.5
Edulinine	12808	12684.5	9093.5	9303.5	11247	10450	12383.5	12975.5	11689.5	12246.5
Cordeauxione	13442	14589.5	11129.5	11550	14287.5	15312	15109.5	13189	13127	12724.5
Edetic Acid	12716	13335	9240.5	12108.5	12971	12710	12574.5	13389.5	13323	13167
S,4S)-Monatin	11146	12394.5	8545.5	9286	10372.5	8891	10957	15413.5	12365	13283
SB 206553	16053	15833.5	11294.5	12399.5	15780.5	15310.5	16565	15111.5	18612.5	15876.5
Deoxy-ribose bisP	66007	67485.5	43063	53417	64882.5	66101.5	69673	66236	64744.5	70144
(hydroxy-1,diphenylethoxy)s...	25287.5	21763.5	13901	13384.5	23432	30805	30424	31581	23326	42875.5
Cyclic dehypoxanthine futal...	28188	26113.5	19430	20600	31635	29616	34699	32298	31063.5	28633
Alosetron	27139	58780.5	17316.5	16214	25149	27175	30897	30499	31142	31642.5
Aminoimidazole ribonucleotide	7347.5	7993	5678.5	4504.5	8739.5	9843	8688.5	9693.5	7930.5	10496
Hydroxyheptaphylline	8865	9391.5	7434.5	6564	12181	10549.5	10831.5	10066	11013.5	10312
E)-(oxo-1H-isochromen-yl)bu...	37575.5	18771	15743	10597	35762	30560	37611.5	31883	35309.5	27696
13hydroxyoctadecadienoic acid	104459.5	74635	51552.5	47813.5	98623	91988	103687	93682.5	100429	84056.5
Nonadecenoic acid	63754	38873.5	26840.5	24045.5	67273	60392	59331	53364	60085	50290
Thalassemine	156679.5	47536.5	37539.5	19690	130884.5	119612	141207.5	110089	154950.5	99048.5
Oxooctadecanoic acid	206310.5	219656.5	143048	155234	201687.5	201645.5	208640.5	209050	195611.5	195357
C19:0	58850.5	63705	33459	39316.5	52961	55310.5	60193.5	57402.5	56298.5	53670
Myrigalone E	25225	23712	15111.5	18055	24697.5	23915	26611	25964.5	24967.5	25695.5
Retinoic acid	33431	36945.5	24395.5	27180.5	36333	33826.5	38140.5	39569.5	36223	35845.5
MG(0:0/14:1/0:0)	31641.5	33606.5	21886.5	27558.5	32536	31410.5	36124	33561	32736.5	33283
Hydroxy-Octadecanoic acid	68686.5	75771	49953.5	52575.5	71371.5	68951	72425	78930.5	62862.5	72441
Prolyl-Tryptophan	9005	9326.5	7781	8057.5	9218.5	8327	9544.5	9667.5	8853	9837
Ac)Lys-Ala	13910.5	12742	8624.5	9522	15023.5	13945	14858.5	14819.5	14965.5	16813
Dimethylheptanoyl carnitine	9122	8413.5	5932	7050.5	8389.5	8101	39866	8710.5	8140.5	7543
Sphinganine	8864	9879	5753	6249.5	6958	6665	8740	9363.5	7485.5	7791
Garcinia lactone dibutyl ester	33459	28329	11724.5	11627	27023.5	31819.5	34359	32044	27219.5	27298
Glycerol tributanoate	26728	25303.5	12526.5	14947	24129	24505	28972	27600	24893.5	25241
Hydroxyhexadecanedioic acid	20609	20136	9832.5	11399.5	20224.5	18701	20804.5	21236	20354.5	19095
Eicosapentaenoic acid	27192	33200.5	17373.5	19821	26880	27426.5	31957	28743.5	24325	26932
Aluminum acetoacetate	213575.5	158622	39739.5	33890	190614	245334	203185.5	236046	149609	161969.5
Pratenol B	41675	37330.5	19257	18646	34141	44215.5	36856.5	42720.5	35982.5	36290
[(phenylcyclobutyl)phenyl]o...	80315.5	58614	21304.5	19392	73087.5	84562.5	71656	86986	59312	59751.5
Propaphos	47885	37170	20797	21833.5	42636.5	41244.5	61013	64314.5	49269	44294
HPEA-EDA	12721.5	11649.5	8538.5	9217	12004.5	13985	13941	12655	13653	14354.5
Polyprenyl-methyl-hydroxy-m...	13808.5	12569	9992	12260	12344.5	12911	14809	12820	12268	13230.5
Arachidonic acid	115522.5	182563.5	40358.5	82047	53288.5	73898.5	118352.5	149908.5	74457	99994
Cepharadione A	24401	19958	12725	14540	22250.5	26349	26947.5	26929	23586.5	23182
Phenyl phospho-ribofuranoside	10157.5	8826.5	7931	9127	10596	10442.5	12747	19498.5	11490	13192
O-Methylgrandmarin	22751.5	19444.5	10269	10826.5	19189	19469	20855.5	20855.5	21220	18452.5
Naematolone	13942	12341.5	10518.5	10304.5	13517.5	12489	13593.5	13013	14050	15284.5
Glucopyranosyloxy)-octanone	9667	8922	7817.5	8231	11329.5	9111.5	12229	13271.5	13206	10837.5
Eicosatrienoic acid	87865	112831	55269.5	93869	70719.5	76855	95222	101515.5	78344.5	91622
dCMP	14654.5	17032	12759.5	17797.5	15433	17938	26837.5	26426	17814.5	21666
Glutathione	622782	883376	343801	501919	126209	156054.5	1562646.5	1596306.5	593965.5	696189.5
N,diethylpropanamide	22719.5	31016.5	14940.5	18933	12380.5	13106.5	46328	46166	24319	26270
Resveratrol sulfate	15838.5	18508	12271	15928.5	17094.5	15638.5	18163	23878	16200	18525
dUMP	13653	15156.5	12980.5	15577.5	16149	15767	16573.5	17630.5	15202	17667
H-chromen-yl)-phenylpropan-one	10185	9920.5	8338.5	7724	9819.5	9541.5	12738.5	9921.5	11659	11230.5
Eicosadienoic acid	21557	28126	15833	28852	16610	19978.5	28613.5	31314.5	20390.5	26557
Acetylneuraminic acid	68307	70471	50697	71138	17067.5	24586	54698.5	64349	53981.5	63207
Hexadecanoylpyrrolidine	8596	10127	7055.5	7412.5	9059.5	8998.5	8750.5	9034.5	8080.5	9123
Ribose bisP	28146	27414.5	11781	13474.5	13515	16049.5	21810	22176	22626.5	20248
Dehydrosalvipisone	13997.5	13711.5	9508	11819.5	12483	14736.5	15929.5	18888.5	14404.5	21326
Ep-KODE	19614	20763	12999.5	14353.5	17594.5	19172.5	23133	22562	21223	19602
Hydroxysterculic acid	7523	8735.5	6804.5	7783.5	8007.5	8949	9218.5	9633.5	9220.5	9467
C20:1	41169	50938.5	33514	44235.5	35320.5	40141	53415	54979	41139.5	48048.5
Undecylbenzenesulfonic acid	202171	214765.5	97635.5	139076.5	156569.5	256983	286640	346039	207772	517742.5
Hydroperoxylinoleic acid	48844	45866	30287	32303.5	44737	42852.5	48170.5	47457	45466	45619
D,7D,11Phytanic acid	159349.5	208358	96915	122807.5	157303	159163	164645	168035.5	139138	159180.5
Palmitoylglycine	6832.5	7043	5299	4696.5	6912	6788.5	6958.5	7373.5	6559.5	6052
Malaoxon	31038.5	19447	18873	16924	31373	31380.5	31604.5	29181	30210.5	24613
Vanilloside	20026	14463	20263	20243	19391.5	17152.5	21183	18333.5	22365.5	20394.5
Menadiol dibutyrate	14682.5	10617.5	19745.5	18488	12308.5	14263	14772	14088.5	18493	19425
Carveol hexoside	29893	28633.5	27360.5	28100.5	26246.5	29519	36561	35361.5	33231	46795
Octadecanedioic acid	46348	42952.5	36727	39420	47053	43954	46515	44865	52000	44974.5
hydroxypristanic acid	12053.5	10942	16169	17287	11651.5	11502.5	12710.5	11788.5	14936.5	12798.5
Rosinidin	12745.5	11351	10874	11100	12063	12379.5	11054	11013	12481.5	11829
Citpressine II	9224.5	9003	8268	9035.5	8528.5	9028	10229.5	8675.5	11068.5	9623
Clavamycin D	22055	11718	6595	7100	10174.5	8217.5	20495.5	17945.5	15336.5	12677.5
Isorhamnetin	87083	56212.5	9252	10336	67852	69814	65339.5	77833.5	36171.5	34207
Verimol B	10419	9962.5	7433.5	8188	8975	10321.5	12372	10828	10343	10323.5
Neryl hexoside	29270	27167	24408	29278.5	22532	23436	32550	29308.5	33633.5	31080
MG(0:0/15:0/0:0)	26393.5	23784.5	15512.5	16802	24459.5	24724	24482	24401	23467.5	26198.5
Phosmet	7233	8332.5	6914	9025.5	8896	8378	10418.5	10776	8147.5	9737.5
Deoxy-hexosyl)histidine	7724.5	8607.5	5086.5	6062.5	21301	22253.5	10654	11150.5	12098.5	14829.5
Isoleucyl-Tryptophan	25737.5	59208.5	94892.5	156739.5	23217	16293	28689	20168	27986	31559
Nateglinide	12073.5	12295.5	15676.5	23929	9268.5	8967	13328	11650	13142	13182
hydroxynonanoyl carnitine	10694.5	10823	4833	8353.5	6669.5	5456	8706.5	7911.5	6906.5	10692.5
Phytosphingosine	9995	12992	6421.5	6919.5	7502.5	7560.5	10022	9284	8490	8859
H-1,benzodioxol-yl)prop-en-...	343861	283647	37855	24397.5	304867.5	441863	306886	407245.5	211261	226898.5
Tamarixetin	19916	16337	7646.5	7432	16928	21395.5	18787	26159.5	15350	15876.5
S,E)-Zearalenone	20635.5	20528	10778	13400	16883	20959	19939	23018.5	21796.5	19866
Eseramine	12565.5	13856.5	8601.5	12657	13124.5	12113.5	13999.5	13301.5	14794	13386
Hydroxyemedastinea1	10090	10737.5	6474	8163	9526.5	9199	10798	10081	10495.5	10694
Leukotriene A4	15970.5	17141	9472	10888	15014	16114.5	17144.5	15451.5	13632	15570.5
Citryl-glutamic acid	13930.5	11653.5	7935	9540	8872.5	9893	14326.5	13506.5	11497.5	11714
CMP	23412	35740.5	13458	22220	14534	17155.5	24476.5	26997	19031.5	24667.5
UMP	24688.5	30431.5	31421.5	51090	74933	65755	36283.5	43632	37361	51118
Grevilline A	111581.5	70175	19973	14420.5	100122	106380.5	101016.5	96779	76998	69449.5
Mahaleboside	75010.5	56655.5	15284	14608	78529.5	69981	136664.5	78448	63177	71984.5
AF Toxin II	20093.5	21220.5	10042	12112.5	15821	17382	20651	17503	25400	18230.5
Epoxymenaquinone	22485	22362	9886.5	12435.5	17655.5	20908.5	22109.5	21551.5	22293	26611.5
C21:1	12614	15387.5	7942	9739.5	12562	12082.5	12901	13213	10446.5	11557
Dihyroxy-1H-indole glucuron...	37268.5	28888.5	7565	7609	38681	33845.5	89984.5	35244	34540.5	37474.5
Oleoylethanolamine	5167	4437.5	3471.5	3857.5	4641.5	4636	5429.5	4597	5106	5164.5
dihydroxy-oxo-dioxatetracyc...	38589	43358.5	44652	51330	46501	38839	53487.5	45566	39638.5	49277.5
Dihydroxy-methoxy-prenylxan...	22961.5	16878.5	10694.5	9007.5	19098	20400.5	21392	20880.5	19922	18225.5
Dodecylbenzenesulfonic acid	269869	267140.5	125494.5	162902.5	175571	262743.5	263483	323980	202872	427757
Homophytanic acid	39532.5	50376.5	26837.5	31420	37474	37410.5	39340	38642	32157	38190
CI Acid Orange 20	20176	17031	14257.5	17956.5	19419	16974.5	22298.5	22145	17827.5	19935
Acetaminophen glucuronide	37215.5	22629	6495.5	7058	32846	29428	31508.5	26544.5	29875.5	19495.5
Deoxy-hexosyl)phenylalanine	8507.5	7830	4697.5	5526	7055.5	7862.5	9651.5	7532.5	12494.5	7817.5
Methylgeranyl PP	22290.5	16475	10622.5	8905	21353	21989	20570.5	21144.5	19869.5	16238.5
Ethylvanillin hexoside	12705.5	13382.5	8642	10013.5	12011	13383	15115.5	12711.5	14578	13264.5
Acutilobin	9159	9953.5	8263	8416.5	9575.5	10163.5	10110.5	9727	12402.5	11830.5
hydroxyolanzapine	9378.5	8591.5	7800	7441.5	8006.5	11826	10371	8902	10737.5	11695
Cymorcin monohexoside	14753	13977.5	10475	11116.5	14497	14502.5	16501	16020.5	17565.5	16346
Steryl sulfate	11234.5	12504.5	11189	11674.5	12175.5	14704	15339	13353.5	18565.5	21054
Corchorifatty acid F	21582.5	23821.5	14391	16460	22014.5	23482	23910	23747	24499	23233
C22:6	16100	25360.5	9149.5	13396.5	11271	12409	16738.5	19695.5	14175.5	16119.5
MG(0:0/16:1/0:0)	17859.5	17146.5	13046.5	14590.5	16650	15177.5	18524	17426.5	17620	17340.5
Valclavam	10375	10683.5	6904.5	6578.5	8079	7878.5	14252.5	13778	11302	11287
Hydroxyethylpromethazine	5836.5	6004	6064	5732.5	5160	6416	8205	7428.5	7496	7999
Blighinone	11736.5	16887.5	13485	13025	13213.5	16541	11970.5	13806.5	14415.5	13877.5
Dimethylquercetin	24948.5	32821.5	24508	30920	13104.5	13190.5	50274.5	52491	28361	31865.5
Gibberellin A105	11313	10578	15482	14982	11944.5	11524	12642	11896.5	14282	13750
Picrocrocin	21423	20921	17833	16460.5	18882	19869.5	24139.5	21195	22855	22797.5
Carnosol	12915.5	12629	15236.5	14425	12131	12654.5	13603.5	13248.5	15271.5	15251.5
TriHOME	29717.5	26746.5	22397.5	21991	24343.5	23684	27642.5	26515	29363	28270
C22:5	21507	27022.5	15818	22839.5	12808	15671	22374.5	23661	16770.5	20968
Piroxicam	18674	25796.5	14233	18163.5	9642	11660.5	39398.5	39837	20981.5	25178.5
Unshuoside A	11627.5	11130.5	9583.5	9269	12378.5	10579	13766	12012	14571	12650.5
Carnosic acid	14293.5	13218.5	12435	12728.5	12500.5	12326.5	12770.5	14001	12375.5	14194.5
Trihydroxystearic acid	11319.5	9310.5	8223.5	8003.5	8636	9869	9593	10986	10706	11048.5
C22:4	22341	34036	15047	27294	12342.5	18987	28380	33019	19148.5	24655
Primidolol	9368	11671	6852	8018.5	8102	8900	11985.5	9317	9272	9536.5
H-chromen-yl)phenyl]oxidane...	45154	42437	6952.5	6916.5	41353	66251	39867	59195.5	22010.5	25412
Glycero-phospho)-1myo-inositol	44772.5	51421	25663	42325.5	25082.5	30456	65781	77365.5	39048	49130.5
Amino-dihydro-oxo-isoxazole...	14697.5	21480.5	6692.5	6984.5	11840	21757	14357	23776.5	11420.5	15929
Methylpropanoyloxy)-(methyl...	10973.5	11779	7779	8240	11104	10292.5	11724	10338.5	11745.5	11266
Keto-dihydroprostaglandin A2	23656.5	27471.5	14158	14407.5	20929.5	23974.5	22206.5	22593.5	21021.5	20357
Docosatrienoic acid	9741	13622	6013	10224.5	6390	7588	11495	12533	8201.5	10038.5
Aspartylglycosamine	9523	11110	6621	6766	7265.5	7295	11823	13446	9510.5	9257.5
Pipericine	4407.5	5522	3858	4600	4789	4786	5369	4581.5	4268.5	4258.5
Nitrosoglutathione	20793	23894	9532.5	11292.5	23228.5	29688.5	24879.5	37295.5	14763.5	19479.5
Hydroxymugineic acid	14760.5	12419.5	7922.5	8429	13391	12923	16731	13763	15702	14563.5
Docosadienoate (22:2n6)	9237.5	9630	6725.5	9821.5	7372.5	8649	9675	10599	7876	9238
H-benzopyran-olate	2856521	1411410.5	498721.5	256395.5	2572733	2703830.5	2524939.5	2430443.5	2245690.5	1944818
Nicotine glucuronide	27415	18906	24207.5	23109	25744	25698	25568	23556	29017.5	23545.5
Lisuridea1	35541	33480	20207.5	19825	28917	34757	35117.5	33344.5	33373	33953
DiHETrE	17289	23416	10867.5	10355	15611.5	20205.5	18213	22573	17162	17641
Erucic acid	30518	33515	19112.5	26558	30498	35592	34738	34622.5	29511	32066.5
Deacetylneosolaniol	14650.5	14240.5	10135	10614	16934	20587.5	17209	16676	17070	17825
Plastoquinone 3	12754.5	15826	12470.5	13157	12577	12977	13948	13787	19918.5	14233.5
C22:0	80018	104386.5	48977	57808.5	73555	79366.5	77402	74750	70528.5	71644
N(Methoxy-methylbenzyl)-n((...	8046.5	7605	6248.5	6005.5	6538.5	8485	7934	8148.5	10284.5	9419
H-benzodioxole-carbonyloxy)...	36760.5	29602.5	11517	11431.5	35981.5	37269.5	35534.5	36143	28530	26523
Disaccharide	30239.5	71258	32695	31922.5	29894	50721	54484	117964.5	55717	58253.5
Austrobailignan 7	9717.5	10677.5	7524	9191	9847.5	10969	11508.5	12676	12192.5	12638
Jasmolone hexoside	14222	13286	9467.5	8880.5	11995.5	13684	17034	14782	16791	14828.5
Piperolein B	6379	6189	5890.5	6477	6572.5	6650	7268	6219.5	7677	6819
Anethole glycol hexoside	14664.5	12254	7859	7726.5	15274	13849	16656.5	14970	14674	14700
R,3S,4S,6R)-Dihydroxyfencho...	14853.5	13146	10567	11113	50611	15687	15686	14185.5	19551.5	14903
Methyl-[10]-shogaol	10692	9621.5	6870	8377.5	9616	8897.5	10416	9890	9728.5	9550
AMP	49462	85577.5	254430	402798.5	54562.5	71773.5	154604.5	205131	134677	219598
H-chromen-one	12131.5	14300.5	14874	24804	14052.5	13515	20087.5	23864	15186	20623
Gibberellin A60	10586	10857.5	8062	9547	10244	11670	11798	10095	12039.5	12007.5
Callytriol C	10820.5	8920	8122.5	8304	11352.5	10421	11862	10744	11731.5	11439.5
Hydroxy-pentadecylbenzoic acid	7539	8315.5	6948	7703.5	6966	8464	7963.5	7530.5	8116.5	6987
Anisessine	9521.5	8835.5	5709.5	6135.5	7097	6608.5	11199	9870	9115	8516.5
Coutaric acid	19468.5	27141	22481.5	24350	20326	17240	19841.5	17709	26222.5	24007.5
Dihomo-gamma-Linolenoyl eth...	3301	4063	3674.5	3455	3946	4031.5	3991.5	3735.5	4136	3989
PGE2	18527.5	21510	14113	15904	17063.5	19707	20202.5	18810.5	20080	20192
Tetrahydrocorticosterone	9103	14704.5	6779	6612	7795	15626.5	9322	12042	9324.5	13121.5
Pirenzepinea1	9506.5	8337	10771	10902	10079.5	8805.5	9876	10727	11773.5	11158
Chlorogenoquinone	10104	8794	7236.5	7065.5	9583.5	9236	11079	11243	10236	9364
Gingerdiol diacetate	14329	18601	11154.5	10811.5	16042.5	14274.5	16774	15354.5	20944.5	17149.5
MG(0:0/18:3/0:0)	8969.5	12563.5	5887.5	7405	8253.5	11602	9669.5	11982	9443	10377.5
Hydroxybenzyl isothiocyanat...	6052.5	5329	3869.5	4683.5	5868.5	5335	5751.5	5119.5	6146	6375
Biflorin	15898	13448.5	9735.5	10555	54931.5	18054	17168	17785	33348	16440
Propofol glucuronide	16356	14212	12882	13410	16068	16549.5	17515	16118	18493	17632.5
Oxo-docosanoate	12856	14129	10983.5	11558.5	12761.5	13994.5	13660	13839.5	14140.5	14039
C23:0	39322.5	42529.5	22790	28291.5	35855	39174.5	39004	36170	36153.5	37276
Feruloylhexose	17315.5	13100	14330.5	13990	17659	18109.5	18757.5	16612.5	21505.5	17874
Xanthoxylol	13354.5	9826	14238	12300.5	13014.5	12321.5	13303.5	12525.5	17070	14276.5
Hydroxy-phenylpentanoic aci...	12655.5	13813	17090	19131.5	13815	13967	15272.5	14379.5	16074.5	14438
Pibutidinea1	54169	58053	67581	90700	44883.5	48002	56564.5	51805.5	64379	62144.5
hydroxydocosanoic acid	13130	12856	14010.5	13125	9812	12352	11063	12178.5	13851.5	12459
Cyclodopa hexoside	8168	7851.5	5988.5	6799	7712.5	8235.5	9245	8708.5	9410.5	9704.5
Uplandicine	18887	25961.5	12523.5	14495	20263	21824	20496	23022	19461	21056.5
Miraxanthin-I	13909.5	12262.5	6465.5	6270.5	13133	14337	15192	16247	11876.5	11793.5
Dihydro PGF-1a	9660.5	7628.5	6234.5	6723	8518	9116.5	9266	9014	8333.5	8204
C24:5	7047.5	6564	4023	5452	5553.5	5610.5	6746.5	6891.5	6437.5	7386.5
Sinigrin	16572.5	15955.5	9614	10242.5	15029	15224	15835	15700.5	14275	13583
Isopenicillin N	11324	14920	8983	10823	9219	8965.5	18778	18687	11654	12076
Dimethoxyphenyl)-ethanediol...	15722.5	15121	8390.5	9718	16592	19968	15623.5	17403.5	16198	17189
C24:4	7876.5	10277	4022	5566.5	6837	7375.5	7950	9315.5	6876.5	7321
De-O-methylsimmondsin	7621.5	8273	5115	6442.5	6212	10104	6987.5	9169.5	7319.5	8193
DiHDPA	15161	16997.5	10002	12126.5	14305	13994.5	14935.5	15128	13575.5	15691
C24:3	8976	11262.5	7230.5	7703.5	7604	8450.5	10614.5	8723	7925.5	8770.5
GMP	13355.5	17222	27503	40788	14944.5	16329	22823	30397.5	18560	26618.5
Gibberellin A55	17078	12360.5	8965	8987	19072.5	18071.5	26888	20354.5	19120	17080
Dimethyl-propenyl)-(methyl-...	12280	10220	10240	10488.5	11743	11998.5	12550.5	11245	12979	11595.5
Arachidonyl Glycerol ether	12647	10749.5	8080	6861.5	12664.5	10738.5	11600	11073	11430.5	10931.5
Linoleoyl GABA	5221	5433	3562	3506	4938.5	5006.5	5288.5	4329.5	5160	5483
Bufotenine O-hexoside	16148	15266.5	19324.5	16854.5	15231	16973.5	16255	15577	20616	17387.5
Carboxy-leukotriene B4	13457.5	14421.5	8925	9611.5	13039.5	12302.5	12647	13041.5	14439	14047.5
Fortimicin KK1	10538.5	15082.5	7257.5	8619.5	9789	11341	10654.5	12001.5	11827	11687
C24:1	49882	74618	17788.5	31329.5	41247	68662.5	47259	48172.5	34109.5	52015.5
Oleoyl GABA	3966	4801.5	3589.5	3416.5	4474.5	4542.5	4463	4307	4602.5	5430.5
{[trihydroxy-(2,4,trihydrox...	8049	8046	7377.5	6908	8150	9171.5	8583	11125	8226	8567
Dehydroepiandrosterone sulfate	10381	12311	6832.5	7625	8967	13288	11181.5	11631.5	16425	11391.5
Hydroxy-PGE2	23512.5	32637	17863	15290.5	22591.5	26285.5	30953	27274	25094	24845.5
Octadecyl fumarate	8803	10353.5	6980.5	7845	7975.5	9446	9360.5	9444	8372	9264
C24:0	96633	145977.5	48138	58821	75985.5	88666	81927	80148	73620	82358
Epanolol	7111	8234.5	7239	7029	10446	8128.5	9472.5	10314	10611	10527.5
Trimetrexate	9256	9133.5	9239.5	9462.5	7545	7581.5	8272	8409.5	10540.5	8529.5
Stearoyl GABA	6190.5	5934	4612.5	5086.5	5187	5123	5091	5539.5	5757.5	5295.5
Androsterone sulfate	11583	10801	10410.5	10227.5	11896	11518.5	12289.5	9968.5	15308	10936
Aspidodasycarpine	10249.5	11023	9612	8979.5	12990	10392.5	11712.5	9927	12894.5	10716.5
Deoxyoleandolide	12833	13499	12315.5	11955.5	11202.5	12589	13534	13303.5	14362	12188.5
DG(8:0/10:0/0:0)	10739.5	13229	10989.5	11335.5	10431	10344.5	13159.5	11010.5	12354.5	11571
Deferasirox	22511.5	49688	15340	18626	22887.5	17578.5	28001	21941	23493.5	24898.5
Pipereicosalidine	17501.5	45624.5	13187.5	16635.5	18092.5	15004	22855.5	19862	17811.5	20256
Deoxyloganin	23687	32558.5	25569	29377.5	21083	22461	27035	26119.5	26933.5	25114
Epi-isocucurbic acid hexoside	16318	27158.5	11746.5	15329	16569	17640	20240	18245.5	17960	19504.5
Tsangane L hexoside	14799.5	24705	12131	13984	14272.5	12087	18749.5	16035	13659	16537.5
Hydroxy-cholenoic acid	11848	23514	11336.5	13815.5	12011.5	10943	15783	15586.5	12727	15445.5
Eicosadienoyl)piperidine	4090984.5	10388810	2458267.5	3492871.5	3995548	2871234.5	5428247.5	4054239	3607312	4430074
Carinol	21218	35817	13696	15152.5	20082.5	17581.5	24288	56916	20232	19625.5
Pentosidine	25055	42738.5	27527.5	29022	25141.5	22756.5	27901	35254.5	28219.5	28219.5
Annoglabasin F	17084	35658	14563	14517.5	17367.5	15042	20318	23436	17692.5	18850.5
Methicillin sodium	16551	23075.5	25789	11861.5	14333.5	22589	19173	552080.5	24363.5	21969
Sphingosine phosphate	7829	13449.5	6188.5	6845.5	7534.5	7857.5	8005.5	10357	7650	7998.5
Diphyllin	45002	49240.5	59235.5	28101.5	41162	60624	60988.5	1355479.5	64793	55347
Methylglycyrol	45736	48955	33077.5	28197.5	45208.5	58853	45831.5	100759	40790.5	44880
Methyl-butenyl apiosyl-(>6)...	13491	11899.5	10881	14450.5	13284	15686.5	16065	22015.5	14222.5	14007.5
Bisnorcholic acid	12207	13588	8028.5	8925.5	11850.5	12935	12663.5	16002.5	12353.5	13185.5
MG(0:0/20:3/0:0)	10767	9911.5	7484.5	7466.5	9349.5	9744	10617	13749	10159.5	9388
C25:1	13797	13609.5	8696.5	9106	12631.5	13284	12909	15553.5	10971	11134.5
Methyl-(methylpropyl)benzen...	12409	13230	7283.5	8689	11815	12223.5	13802.5	13073.5	14189.5	12789.5
Misoprostol	9839	9876.5	7397	7638.5	9549.5	9181	10466.5	10453.5	11378	10413.5
C25:0	31471.5	38784	19514.5	21933.5	29219.5	30476.5	30127.5	29974.5	25798	30519
Ceftizoxime	65815	35758	16415	10360	59752	61959.5	65823	56689	55068	54875.5
Brinzolamide	10256	9622	7294.5	7341.5	10899.5	11901.5	13316.5	15764.5	11135.5	11901
Eleutheroside B1	15807	20589	8959	7291.5	13860.5	19109.5	16216	67690	16157	14694
trihydroxy-{[(methoxyphenyl...	12113	10196	7645	8074.5	11381.5	12456	12880.5	12096.5	12362	11660
MG(0:0/20:1/0:0)	9142	12099	7121	7464	9432.5	13870.5	11343.5	10808.5	9817.5	10392
Cerebronic acid	16560	18657.5	8464.5	9177	11708	13493.5	14117.5	15425	13859	13308.5
Glaucamine	8329	7823.5	5370	5220	12046.5	9843.5	9863.5	8851	9630.5	8022.5
Glycerol trihexanoate	11054	10342.5	6993	6933	8803	11273.5	11212.5	10966.5	10509	10331.5
dCDP	30691	37931	33450	48340	10201.5	13135	71677	71088	41566.5	46219.5
Cyclomammein	17858	18711	12359	12391.5	14760.5	16822.5	16227	17316.5	16871.5	16989.5
Epoxy-7E-megastigmene-9e-di...	11008	10311.5	7435	8398.5	10155.5	10464.5	13868.5	10658	13545.5	11220.5
Digoxigenin	10025.5	9647.5	8790.5	9126	9622	11039	10142.5	9278.5	11447.5	10373
Dimethyl galloylgalactarate	11520.5	12743.5	7403	8305	12632.5	17115.5	12404.5	14072.5	10284.5	12885.5
Proacaciberin	11638	11001	5204	5107	6339	6879.5	17341	14871.5	8345	8088.5
Viguiestenin	12231.5	14115.5	7875	8793.5	10539.5	11455.5	13281.5	13805	13829	12490.5
CPA(16:0/0:0)	10287	13291.5	7895	8886.5	9289	10082.5	12772.5	12843.5	12531.5	11888.5
Dihydroxy-cholanoic acid	10484.5	14650	11215.5	12304.5	12105	13795	18164	15663.5	16409	15295
Pteroside Z	12080	11307.5	9460	9746.5	12093	12759.5	13187.5	11345.5	14275	13294
C26:1	14647	20262.5	8639	12217.5	12587.5	13401	14927.5	15307	13689.5	14924.5
Zwittermicin A	12154.5	10523.5	13628.5	13179	11218.5	11688	12023.5	12733	14892.5	12858.5
Isopetasoside	11735	10445.5	8491.5	8667	10917.5	11361.5	13141	11423.5	13462	12704.5
Hyaluronic acid	14587	15673.5	5857.5	7086.5	9345	9671.5	11057.5	11099	11698	11203.5
Behenoylglycine	9005.5	14491	7567	8887	8858	8145.5	10161	8864	9398	10251.5
Caulerpin	14633.5	15839	14596	15342.5	14245	16873	17646.5	14371.5	15075.5	16076
Methyl dihydroxy-prenylbenz...	13040	14258.5	15969.5	16666	12702.5	12376	15651	13806	16092.5	15103.5
365260	28639.5	28838.5	36649.5	46171	21392.5	23747	29840	24169.5	32729	32969
Lauroyl peroxide	16291	21896.5	20514.5	19766.5	16978.5	22286.5	19817	19253	18715	23015.5
Hydroxy-2methyltetracosanoi...	9800.5	10184	11718.5	12833.5	10579.5	10683	10779	9555	11815.5	11752
Corchoionoside B	13635	13648.5	14924.5	18868	12401.5	14019.5	16217.5	14332.5	16953	15794.5
Z-Phe-Phe-CHN2	12399.5	15669	7165.5	8435	11371	11701	14546	12996	12315.5	12509
[dihydroxy-(sulfooxy)benzoy...	15274	16027.5	12275.5	15019	16804	17425.5	15647	20954.5	15964	19305
Clusin	22011.5	27067.5	11791.5	14068	21031.5	22500.5	22913	21656	20573	21332.5
Hydroxycholesterol	9153.5	10958.5	4327.5	5390	6970.5	7163	8707	9000	7664.5	8202.5
Methylpentyl hexosinolate	14834	13328	7646.5	9468	14910	14018	19262.5	18812	14077	16299.5
Sulfinpyrazone	13114.5	13239	7337	6598	12555	16226.5	12263	20827.5	11523.5	12212
Pisumionoside	14697	14388	12562	13176	15596	17993	25314.5	16873.5	17664.5	19040
Dihydroxy-cholestane	5764	6174.5	4803	5281.5	6181.5	6330	5705.5	5528	5734.5	5995.5
Acetonyldihydrochelerythrine	12901	13344	7410.5	10316	11610	12216.5	15223.5	14305	14728	13364.5
Imidapril	7760.5	7285.5	6834	7667	6721.5	7185.5	9664	7901.5	9105.5	7009.5
Lisinopril	15237	19302	10044.5	11220.5	16371.5	15267	14843.5	12515.5	17161	16942.5
Dimethyl-pentyl-furanpentad...	14617.5	13108.5	9747	8411	14601	13855	14016	14413.5	13308.5	14191.5
H-furo[h]chromen-yl}oxy)oxa...	39086	47045	43986	45351.5	40171	54957	42529	36616	48871	44944
H-chromen-yl]oxy}oxane-carb...	30697	43404	54950.5	57318.5	32246.5	27468.5	36444.5	28472	44064.5	36286.5
Bakkenolide D	45951	56254	68724.5	72498.5	45063	39131.5	48514	40494.5	61463	51038
Cholate	22385.5	31381.5	34618.5	41307.5	18544	16946	24747.5	19307	31636	25314.5
C28:8	41591.5	56737	50142	58674	40861.5	35238.5	44228.5	37573.5	46607	44047.5
Heptacosanedione	22423.5	31301	33538.5	36148	19821	16308	23831.5	18925	28320	23998
Biflaviolin	14069	18232	20954.5	22905	12291	12405.5	16778	15716.5	17549.5	15780.5
Triacetoxycoumestan	27499.5	29749.5	27724.5	28603.5	24716	28981.5	27951	25843.5	29014.5	26239.5
trihydroxy-{[(methoxy-benzo...	16769.5	23618	26016.5	29968	15758.5	14165.5	19964	15477	21854	19106
Pteroside A	20118	23860	24882.5	26215.5	17672.5	15084.5	21875	16812	24199	20925.5
Gamma-Tocotrienol	23387.5	29563	26870.5	30041	20741	20458	24994	20763.5	25106.5	24186
MG(0:0/22:2/0:0)	11580.5	15351.5	19353	19155.5	11195.5	10068	13623.5	11375	15856.5	13738
C27:0	27149.5	35875.5	24111.5	30520	27315	22297	29186	25611	26074	26078.5
Oxidized Oplophorus luciferin	20017.5	27294.5	34097	36532	19076.5	14027.5	22952.5	19311.5	30317	23062.5
{dimethoxy-[oxo-(trihydroxy...	62901	98903	124738	131972.5	52701	58485	70106.5	68482.5	101069	76927.5
Methylpicraquassioside A	52769.5	84318	118297	126839	41630	31533.5	63206.5	43628.5	90441	62505
Adapalene	58273.5	98304	143002.5	155232.5	47278	34229	70638.5	45585	104074.5	71938
desalkyl delavirdine	31835.5	42811.5	64409	70257	30565.5	25613.5	36894.5	28137.5	50021.5	38105
Garcinone C	29277	38666.5	55305.5	56601	25746.5	20857	32723.5	24490	44688.5	33516.5
Eplerenone	68337.5	106302	76898	79945.5	66261	57361.5	74057	63298.5	81003	70290.5
H-benzopyran-yl)phenyl]oxid...	88874	49750.5	17424	13806	75308	76632.5	74296	77126	48820.5	46617
Dihydroxyvitamin D	10749	12504.5	10091	10502	9177	9486	10012	10242.5	11217.5	10933.5
Gamma-Tocopherol	45179	71814	13793	22320.5	19572.5	23304.5	52009.5	54340	32686	37595.5
Batrachotoxinin A	9098.5	11196	7892	9000	6616	7033	8424	8224	8772	8309.5
Lirioresinol A	932990	1022759	21566.5	20787	594069.5	2497461	682698	2156580	526332.5	1134668.5
Hydroxy-mercaptoandrost-en-...	23153	25108.5	9436.5	9492	25007.5	40310.5	22885.5	35653	18792.5	24558.5
Naphthyl dipeptide	14251	16205	7549	9511	13891.5	24663	14732	22469	12973.5	16075
Dihydroxycholesterol	8304.5	9146.5	4779.5	5281.5	6371.5	9574	8885	10176	7548.5	7935.5
Secogalioside	12127	10072	11809	12063.5	12363.5	11271	12110	11754	13829.5	12807.5
CPA(18:0/0:0)	13164	20570	7171	12012	9426.5	11661	14024.5	13930.5	10819.5	13292
Ethylchenodeoxycholic acid	5881	7318	6122	5850.5	5888	7143.5	5687.5	6532.5	6793.5	6789.5
Cholestane-triol	6365	6806.5	5358	5763.5	5853	7674	7835	7436.5	6102.5	6478.5
Topotecan	23856.5	25953	5374.5	5508.5	16855	34531	31949	48298.5	15563.5	22258
Methylacetophenone	29411.5	21963.5	13484.5	13965.5	17463.5	20551	22672	18057	21946	21682.5
C28:1	11748	11376	8479	9115	11346.5	10179	11554.5	11152.5	12162.5	12193.5
LysoPE(0:0/14:1)	12967	11459.5	7510	7095	9227	8499	9936.5	9003	11368.5	9755
H,8H,9H-furo[2,h]chromen-yl...	12511	13531.5	7307.5	7828.5	11520	13415.5	15749.5	20528	11147	11531
Azimsulfuron	11463	10973	7009.5	6937	12282.5	14895.5	12432	14879	10701.5	11369.5
Hydroxymelatonin glucuronide	205607.5	120486.5	252330.5	221384	175070	164844.5	198000	156317	241770	219322
LysoPA(18:0e/0:0)	7929	7828.5	6305	6260.5	7003.5	7805.5	7264	8571.5	7970	7194.5
C28:0	17969.5	22446	11032.5	12749	17990.5	16967	18175	17427.5	17767	17245.5
Cysteineglutathione disulfide	15515.5	17912.5	7538	7625	12667	20711	15307	36980	12063	14378.5
Chitobiose	32153.5	23256	14365	14363.5	28679	32797.5	28673	27847	28391	24648
Hydroxy-gamma-tocotrienol	9958.5	10182.5	7208	9929.5	8528.5	9330.5	9674.5	10380	9380	8400.5
ADP	46482	77638	106982	177023.5	33713	28509	97458	104822.5	71764.5	108234
{[dioxo-(trihydroxy-methoxy...	276107.5	170364.5	58065.5	41606	232640	315130.5	260313	288020	220448.5	255115
[(carboxymethyl)-dihydroxy-...	21664	22055.5	6080	5542	11182	11898.5	16715.5	24225.5	12392.5	11741
Sorbitan oleate	7828	6816	5507	5095	6480.5	7111.5	6917	7567.5	7265	6380
Cholesteryl acetate	11363	13444	7748.5	8362	9923	9705.5	11325	10181	9121.5	11471
Cubebinone	9933.5	7642	8297.5	7950	12916	11104	10438	9137.5	10597.5	10033.5
Mammea E/BB	9375	8743	10017.5	11206.5	10023.5	9566	9940.5	9468.5	11898	11378
MG(24:6/0:0/0:0)	9026	9536.5	13877.5	9156.5	12920	10909.5	13627	14229	14213	12965
Carboxy-5cholesta-en-3ol	7267.5	7611.5	8111	8258	7146	8016.5	8083	7235	8111	7263.5
Tocopherol	168713.5	248115	44775	93938	66280.5	81525	138387.5	139542	95660.5	133985.5
Hydroxycalcitriol	7040.5	7787	6025.5	7068	5744	7130.5	6988	7501	7435.5	7451
Dextrorphan O-glucuronide	239660	275427	512468	534697.5	226609.5	185606	272242.5	200221.5	326336	326421.5
Cycloartocarpin	17564	17807.5	9028	11552	17222.5	17542.5	18632	15016.5	17705.5	17650.5
Glucoraphenin	12996	15363	16746.5	21209.5	10140.5	10558	27507.5	24340.5	16136	20782.5
LysoPA(0:0/18:1)	9661.5	11567	7104	9517	8480.5	8722	12877.5	12653.5	10604.5	10679
Cholestane-tetrol	4877	5512.5	4615.5	5578	5381	4654	6568.5	5971	5140.5	6007
16:0e/0:0)	84737.5	146103	21558.5	37479.5	15772	19568.5	63411	72402.5	39967	53829
Kanzonol T	17175.5	12854	10251.5	9979.5	14947.5	14497	17085	14922.5	16432	14458.5
Hydroxy-trimethoxy-diprenyl...	11145	11109	7654.5	9270	11500.5	10897	12648.5	11723.5	11869	10455.5
Marchantin A	28865.5	33743.5	36158.5	43087.5	22492	38106.5	29813.5	38293	30849.5	34865
Momordol	9319.5	8417.5	12897.5	12248.5	7174.5	8362	9413	7694.5	10657	9930.5
MG(0:0/24:1/0:0)	9652	9223	14088	13452.5	9253	13652.5	11588	10822.5	11903.5	13081.5
Leukotriene E3	9246	11818	9931.5	18867	8479.5	8290	22648	8787	14323.5	17263
DG(8:0/15:0/0:0)	4978	4583.5	4647.5	4828	4388	4947	4517.5	4704.5	5330	4535.5
H-benzopyran-one	10763	9618.5	12849	13837	8488	10291.5	10050	9894	12557.5	11994
Paederoside	22864	38343.5	7872	7231	27628	60952.5	24575.5	54931	16115	28953
Estrone glucuronide	19204.5	20838.5	14156.5	13747	21202	20679	20952.5	18338	17397	20735
Carboxy-gamma-tocopherol	5043.5	6350.5	6122	5286.5	5408	5923.5	5810	5664.5	6931.5	5377.5
Acetyl-leu-leu-tyr	11220.5	14213	8814.5	9687.5	10378.5	9195.5	12641	10526.5	10702.5	11624.5
Deoxycholic acid glycine co...	4735	4929.5	4403	4453.5	5547	5199.5	5610.5	5628	6968	4928
Miscanthoside	11987	12658	8119.5	8329	9670	11863.5	11423	12449.5	10161	9519
Deoxocastasterone	4740.5	4511.5	4258.5	3787.5	4000.5	4887	4584	4365.5	5097	4563.5
Phenylbutyl hexosinolate	13363	15181	3172	3889	35105.5	41305.5	17320	15345.5	11410.5	13934
Cholestane-23S,pentol	4727.5	5539	5566	6560.5	5372	5647.5	5216	5383.5	6116	5822.5
C30:0	16044.5	20347.5	11014.5	13694.5	16697.5	15827.5	17056.5	16391.5	14717.5	16308
LysoPE(0:0/16:0)	14993	24386.5	13188.5	19465	8927.5	10010	28476	29717.5	16913.5	20523
Cefazolin	17392	22161	11379	13123	22587	36585	18344	33306	17502	21950.5
Methyl cellulose	9806.5	11799.5	9381	14375	14484.5	12802	38158	13192	16359.5	23532.5
Norcholestanehexol	6184	4598	4458	4976	5192	5553.5	6135.5	5787	6883	5840
Dehydrooxytetracycline	9845	10125	15566	17602.5	10742	10373	10797	10402	11882.5	12621.5
Lyso-arachidonoyl-phosphati...	10240.5	12787.5	8789	8964	8440.5	10043	12344.5	16234.5	10734	12536.5
Acetylpicropolin	7284	7585.5	6226.5	6302.5	8229	8706	7961.5	9486	7896	8463.5
Z,11Z,eicosatrienoyl)-glyce...	10728	11876.5	7729	9200	8989	10155.5	12653.5	11908	12112	11590.5
Neryl rhamnosyl-hexoside	8955	12916.5	6578.5	8368.5	9201.5	9615.5	10616	11750	9939	10985
Deoxohomodolichosterone	8143.5	9864	6106.5	6912.5	8535	8593	12205.5	12874	7955.5	10472
Dihydroisomorphine-glucuronide	5235	5514.5	4195	4351	5994	4970.5	5778	5276.5	5562	5854
PSF-A	17869	17211	10230.5	11144.5	14117	16083	16414.5	14861.5	15954	15156
(eicosenoyl)-glycero-phosphate	11808.5	12323.5	7418.5	8396	8972.5	9343	12857.5	12322.5	10733.5	9990.5
Agnuside	18894.5	26528	12579.5	13498.5	21246	24633.5	22789.5	22051	18112.5	22450.5
Cholesterol sulfate	35772.5	47925	21922.5	28820.5	26959.5	37087.5	62806.5	61889.5	38163.5	45424
Hydroxy-castasterone	5882.5	5837.5	4118.5	5154	5589	6136	6441	6223	6607.5	6306
C31:0	13601.5	16885	6093.5	8201	12089	12155.5	12524	12413	10718.5	12612.5
Delsoline	7063	24967.5	4844.5	7657.5	12032	21945	10681.5	8004.5	8739.5	16162.5
Androstanediol glucuronide	7435	6584.5	5937.5	5175	6185	6431.5	6373.5	6850.5	7385	7389
Scymnol	6731	5507	5254.5	5527.5	4660	5031.5	7358.5	6399.5	6846.5	6466
Hydroxyethyl)thiamine PP	6237.5	7603.5	4774.5	4107	7415.5	7507.5	15433	14333	7861.5	8261
Plumieride	12319	12185.5	8502.5	9355	10252.5	11162.5	12205.5	12318.5	12288	11692
Ceanothine C	8603	7305.5	6919	6881.5	8128	8947.5	9220	9971.5	10201.5	9375.5
Chenodeoxycholic acid sulfate	11503.5	11111.5	11606	12409	11521.5	12171	12856.5	11542	15417.5	13173.5
H-benzopyran-yl)oxy]oxane-c...	7740.5	6896.5	7084.5	7930	6169.5	7082	8116.5	8756	8127.5	8814.5
LysoPE(0:0/18:3)	6487	10797	5371.5	6067.5	5574.5	7006.5	8424.5	8562.5	6078.5	6824.5
Hydrocortamate	19030	22025	7742	8405	11607.5	16145	14728.5	17255	30536.5	14782.5
Panaxatriol	9453	6082.5	4128.5	3663	8699	8964.5	8771	8830.5	7220	6204.5
LysoPE(0:0/18:2)	12372	11460	4669	5503.5	10313	11283.5	12215.5	12369	9650	7990
Gentamicin	11365	9562.5	4850.5	4165	10790.5	10598.5	10283.5	10284	7530.5	7626
LysoPE(0:0/18:1)	18109.5	29822	13950	23071.5	9318	11771.5	30472	37364.5	18894	21984
Demethylpradinone II	13241.5	15410	6092.5	5692.5	12821	21294	13484	21822	10011	13589.5
PD 123177	10667.5	9914.5	7050	7343	14230.5	11745.5	19062	21628.5	14321	12648.5
heneicosanoyl-glycero-phosp...	9297.5	8555.5	5888	7606	7422.5	8950	11603.5	10375.5	8505.5	8894.5
Brassinolide	6648	6590.5	4402	5087.5	6341.5	6461	6800.5	6950.5	6763	7282
C32:0	10524	12483	8631	10300.5	10281.5	8735.5	10664.5	9856.5	9627	9003
LysoPC(15:0)	122922	203388	87740.5	148171.5	47520	60529	215630	246283.5	115044.5	143112.5
E)-methylbut-enoyl]oxy}-oxo...	11692.5	10660	12703	10466	14471	18757.5	12777	13805.5	13908.5	12684
Dihydropterin-yl)methyl]-(r...	11867	17022.5	10129.5	9392.5	11632	20213.5	16684.5	29630	10453	13948.5
LysoPA(22:5/0:0)	7148	5378.5	5118.5	5563	5671	7068	7177	6719.5	7941	6526.5
choline	19828.5	29312.5	9202.5	10777.5	11148.5	12809.5	21134.5	22119.5	14289	15567.5
O-Acetylglycitin	9472.5	9546	12675.5	14342.5	10122	9254.5	9793.5	10198	11727.5	10575
Ionol O-[arabinosyl-(>6)-he...	7731.5	7921.5	7600	8439	10371	8880.5	9206	7689.5	9415	9471
Barringtogenol C	6625.5	6136	6179	5845.5	5648	7023	5703.5	6285	8012.5	7965
LysoPC(16:1/0:0)	5387.5	6846	5283.5	5840.5	6792	5622.5	7268	6743.5	5253.5	6237
Hydroxy-tritriacontanone	18558	19568	6652	8988.5	17274	16077	17675.5	17691.5	13210	13886.5
LysoPC(16:0)	10565	8179	4644	6145	8267	8630.5	11617.5	11194.5	8631.5	7869
H-chromen-yl)-trihydroxyoxa...	13470.5	13300	6744.5	6854.5	15070.5	17359	13418.5	23378	12340.5	12351.5
Pregnanediol-glucuronide	8246	5821	5690.5	5272.5	7721.5	7872	8742.5	8662.5	7395	7557.5
HR1917	36281.5	48611.5	62748	71840	38048.5	30175	41436	32664	46804.5	50494.5
Methyl di-O-galloyl-glucopy...	14683	15606.5	8836	10152	12487.5	19194	14595.5	21023	12144	13883
TG(10:0/8:0/8:0)	35948.5	15361	6420	6049.5	30089.5	30898	30268.5	28476	18348	14870
trihydroxy-({methoxy-oxo-tr...	15682	12648	8905	7728	16351.5	20234	16088	19044	13227	12550.5
Mupirocin	27200	18587	6536.5	7691	20706	24220.5	24989.5	25285.5	15413.5	14860
LysoPE(0:0/20:4)	12446.5	13579	5876	8528	9566	9706.5	14665	14346	11154.5	10478
[({[(carboxy-trihydroxyoxan...	8007	6600.5	6486.5	5491.5	7673.5	9444	8407.5	16733	8160	6663
Triose	49738.5	74862	17257	19609.5	21360	25443.5	49697	57638	31316.5	39671
LysoPE(0:0/20:2)	9096.5	18129.5	6509	8299.5	8846	8935.5	11819	11488.5	11147	10265.5
Protohypericin	26483.5	31974	12192	11348.5	16662.5	35734	22303.5	37194	16532	24538.5
LysoPE(0:0/20:1)	13057.5	19924.5	11980.5	16926.5	10933	11685	23845.5	23310.5	16283	18125.5
Acetyl-T2 Toxin	6335.5	5734	6639.5	6588	5530	6431.5	7770	7187.5	8388	6870.5
LysoPE(0:0/20:0)	31035	52328.5	22608	39085	20160	26357	69099.5	69789.5	33570	42788.5
C14 Cer	31878	55273	9247	21050	22964.5	24450	25701	26376.5	20153.5	28178
Abeo-acetoxyisoobacun-3,olide	21690.5	10343	6676.5	6605	20731	21362.5	18998.5	17447	11354.5	9750.5
Telmisartan	15170.5	8027	6567.5	7950.5	14231.5	15708	15525.5	14976.5	11025	9127.5
dTDP-rhodinosea1	7720.5	7232.5	10665.5	12480	8604.5	9861.5	8635.5	9045	8696	8281
Lucidenic acid E2	67370.5	78108.5	53296.5	61837.5	54216.5	39953	75346	57884.5	83571	66709.5
Retapamulin	15793.5	15211.5	6244	5755	10545	12413.5	16268.5	14301.5	11500.5	11260.5
Malonylgenistin	7923.5	10552	7501	6831.5	7296	15550.5	10114	15505.5	7360.5	9155
[({[dihydroxy-bis(hydroxyme...	25888	12572.5	5654.5	5050	24716.5	28342	24283.5	23382.5	13013	11615
Ganoderiol C	4103.5	3643	3745	3425.5	3887.5	4412.5	4140.5	4195.5	4903	4353.5
Adenosine O-(thiotriphophate)	86345	41579.5	28851.5	18332	80496.5	79529.5	83697	69371.5	82471	70726
Ligustroside	8398.5	8627.5	6824.5	7576.5	28942	9921.5	8515	9537	13317	7420
VPGPR Enterostatin	10360	11061.5	9508.5	9912.5	7637	8857.5	11865	11021.5	9552	10353
Stearoylglycerophosphocholine	6463.5	4422	6532.5	6365.5	5192.5	5028	6080.5	5749.5	6312	5238
Stearoylglycerophosphoserine	23871	43179.5	7504	9227	8120	9286.5	18881	20725	13489.5	14695
H-chromen-yl]-trihydroxyoxa...	22622.5	18467	11769.5	9432.5	20432.5	23045	23820.5	21571	21101.5	21359
Hydroxy-tyrosyl-AMP	10302	11682.5	5090.5	5250	10501.5	16539.5	9436.5	16791.5	8321.5	11523.5
LysoPE(0:0/22:4)	6578	9505	5297.5	5649	6100.5	6579.5	8897	6939	7325	6694
dTDP-oxo-dideoxy-hexose	11396.5	10209.5	8568	8634	15995	17020.5	12944	21889.5	10502	11601.5
Cinncassiol D2 hexoside	8606.5	10201	7778	8954	7912	8969	12774.5	11453.5	10409.5	10163
Sabadelin	4955	5877	5612.5	5526	5055.5	5254.5	5203.5	5101.5	6645	5689.5
{[(carboxy-trihydroxyoxan-y...	8715	9427	4596	4758	7788	7878	14391.5	14524	9169.5	8787.5
Dihydrovomifoliol [rhamnosy...	11390	10831	7383.5	9654.5	9415.5	8428.5	12062	9396.5	12436	10560.5
E,8E)-dihydroxyoctadeca-die...	69824	111765	16451	35541	34955	39968.5	45584	49718	37879	47267
PA(8:0/16:0)	9435.5	14425	9357.5	13602	10019	10881.5	17761	16225	12512.5	13593.5
C16 Cer	280582.5	642051.5	56619.5	222751	379354	387105	298505.5	328347.5	220487	342597
Euphorbia factor Ti2	9741.5	9848	6596.5	6665	9788.5	11974	9662.5	11373	10288.5	10134.5
Tetrahydroaldosterone-glucu...	14676.5	11961	7576.5	8062	14980.5	15469	15863.5	14193	11632.5	11382.5
TG(8:0/8:0/a-13:0)[rac]	7922.5	6435	5709.5	5162	8246.5	8845	7133	7278.5	7699	7006
Yuccaol C	8745.5	8840	11587	12321.5	9307	10938	9855	12909.5	9848	10595.5
Italidipyrone	9910	7870.5	5503.5	5307.5	9696	10863	10476	10119	7886.5	7940
Estriol sulfate glucuronide	11632.5	9442.5	5242.5	5668.5	12013.5	14237	12780.5	30555.5	8052	8820
Perindopril Acyl-glucuronide	7286	7036.5	5737	5329	7011	6433	7241.5	8279.5	7752.5	7034
Dihydrozeatin-hexoside-O-he...	5185	7115.5	5252.5	5857	4562	6282.5	6659	6797.5	6479.5	5617.5
Canavalioside	7212	6805	6060.5	6011	28332	8547.5	8743.5	8715	10230	7326
[({[dihydroxy-(3,4,trihydro...	18188	17970.5	5131.5	4958	19320	23295	21597.5	24331	14814.5	17770.5
Deoxythymidine PP-l-rhamnose	20268.5	17565.5	6108.5	7826.5	107786	120134	13352	21464.5	27973.5	37681
Antimycin A1	17700.5	15606.5	6531	10146.5	14125.5	10740.5	17975	13786	18957	14668
Endoxifen O-glucuronide	6625.5	5724	4422.5	5646	5560.5	5225	6534.5	6334	7126	5690.5
Handelin	9914.5	6903	11067	12213	11960	10779.5	12457.5	13615	9818	11788.5
Arbekacina1	7992	9174.5	4971.5	6978	6870	7261	7980	7832	8794	7170.5
Acrovestone	10101	9448.5	6434.5	6111	8337.5	10690.5	10774	11138.5	8847	9107
Lissamine rhodamine B	302456	124648	12557	8175.5	271030	284936	260163.5	251799	161353	133529.5
Auriculine	9353	11420	6522	7422.5	7982.5	9010	10679	11166	7768	9173
Prunus inhibitor b	63978.5	35754	7425.5	7316	53563	58729	53152.5	54921	37209.5	33366.5
dTDP-dimethyl-lyxose	6708	7332	9449.5	8140.5	7145	11743.5	8256.5	24818	7372	8811.5
TMC 126	6420.5	5157	6878.5	6444.5	5858	6145.5	6378.5	6295	5945	5587
Hydroxycinnzeylanol hexoside	7113	5819.5	7231	7388.5	6276.5	7311.5	6621	7272	6484	5925
Cholesterol glucuronide	10373	13994	8047	10033.5	6399.5	7032.5	10154	10623	8913	10325
C18:1 Cer	21949	38856.5	6603	10717	10526	12184.5	17382.5	19394.5	12205	16783
Cascaroside C	6785.5	5768.5	6591.5	6577.5	6214.5	7745	6914.5	8646	6217.5	6398
PA(8:0/18:0)	13253	17615	10584	13402	9525	11076.5	20367	21310.5	12731.5	15332
C18 Cer	36058	80380.5	6863	16497.5	31114.5	30410.5	33360	36050	23236	31394
Hydroxycastavinol	13861	12124.5	11332	11056.5	12963	12861.5	13649	15278.5	12303.5	12479.5
Cefotetan disodium	30713.5	24369	12079	8700	29193.5	30298.5	27128	26667.5	28062.5	27111.5
Asclepin	15400.5	18039.5	8080	9122.5	12919.5	15282	16733.5	17784.5	14305	15260.5
DG(15:0/18:4/0:0)	12519.5	12539	6937.5	8291	8799	10310.5	11738.5	11763.5	14138	11230
DG(15:0/18:3/0:0)	24249	29288	7843.5	16691.5	19385.5	21827.5	24768.5	25245	30309.5	22796.5
Uridine PP glucuronic acid	20188	26475.5	17114.5	21644	77651	86670	25202	26728.5	25976.5	35265
Hordatine B	15017.5	12355.5	7059	8375.5	13902.5	12522.5	15189.5	23837.5	11927.5	11542
N1,N5,NTricoumaroyl spermidine	9841	9623.5	8009.5	8081	8614	8961	9286	12054.5	9713.5	14338.5
Bilirubin	7098	7063.5	9351	8236	7511.5	7291	8199.5	7834	9146.5	7706
fucose	19072	19946.5	7993.5	9781.5	13248.5	14601.5	24328	26062.5	13265	15464.5
H-chromen-yl]phenoxy}-3,4,t...	8744.5	7905.5	6035.5	5962.5	14254.5	13685	8958.5	10187.5	8786	8201.5
Pheophorbide a	5816	5686.5	6061	6473.5	5604	5230	5423.5	6148	6930.5	5878.5
Tuberoside	7071	7426.5	6744.5	8323	5770	7950.5	10858	10530.5	7847.5	9794
Epicatechin-(4>8)-gallocate...	8870.5	9342.5	7756	8110.5	11643	8243.5	8801.5	9870	7932	9531.5
Eriodictyol (trans-p-coumar...	8384	7261	7646	8236.5	9672	10501.5	11000	11152	8127.5	8172
Erythrodiol decanoate	7257	8634	4555.5	5735	12100.5	13731	6961.5	6620.5	8468	7998
Lymecycline	5949.5	5757.5	8051.5	7363	6368.5	6209	6267.5	5998	6580.5	7601
UDP-acetyl-hexosamine	211491	349959	44080.5	72210	41053	38738	246871.5	266574.5	115160.5	141019.5
Candletoxin A	7941.5	7022	14142	16185.5	9888	10798.5	12501	12464.5	13624.5	12423.5
Cannabisin C	11030.5	8306	9312.5	11618.5	10846	9489.5	11090	9340.5	11742	9375
H-benzopyran-yl]propyl]phen...	11405	9928.5	9745.5	9652	8110.5	8848.5	15065.5	15953.5	10077.5	10708
C16 CErP	18819.5	28900	10409	19594.5	15828	15216	32654.5	34563	18606	24490
ADP-glycero-manno-heptose	31058	14530.5	7193.5	5719.5	26925.5	29660	26078	27330.5	21221	18306.5
Arachidonoylglycerophosphoi...	9649.5	12318.5	7022.5	7169	6757.5	8377.5	9155.5	15382.5	8934	9137
CE(5M5)	33533.5	53510.5	6667	16490.5	18481.5	19938	26701.5	29903.5	17452.5	25120
Acetyl-hexosaminyl)-phospha...	15981.5	14895	7011	7172.5	16429	20594.5	27820	28105.5	14235	16617
Red chlorophyll catabolite	7176.5	6175.5	5467	5436	7238	9313.5	7143.5	6942.5	6933	6682.5
Phaeantharine	7608	6971.5	10147.5	9171	6933.5	6703.5	7309.5	7027.5	8921	8651.5
Sialyllactose	7152.5	7161.5	8197	9486.5	6526.5	6590.5	8415.5	16827	8234	8572.5
Actinorhodin	10396	8418	15966.5	17433.5	9201	9425	11639.5	12331.5	11951	11226
Pimelea factor P2	6826	7862.5	5546	5563.5	7166	7790.5	7321	6937	6727.5	7955
Cefoperazone sodium	34007.5	16981.5	6529.5	6458	28858	33122.5	29538	33336.5	14620	13767.5
C18 CerP	8099	14169.5	6535	8210	6758.5	5735	11101.5	12852.5	8561	9088
C24:1 Cer	153930	401332.5	22778.5	50961.5	112831	109642.5	93041	97356	67121.5	109006.5
PA(16:0/16:0)	7468	11102	8135	10550.5	6275.5	7701.5	8447.5	8941	8683	9115.5
CE(5M7)	21225	32803	42064.5	29825	15215	15520	21040	22680	14635	20482
DG(14:1/24:1/0:0)	7726	10421.5	41411	25887	7716.5	7103	7938.5	8200	9184.5	9194.5
Congo red	12719.5	13458	12574.5	15688	9681.5	18846	13002	20692.5	12191	18087.5
Uzarigenin [xylosyl-(>2)-rh...	5014	5135.5	5686	5693	6015	11397.5	6145.5	5394.5	6742	7189
DG(18:4/22:6/0:0)	8050	10028.5	6669.5	7832.5	9520	7879	10113	9126.5	8414.5	8924
NADH (red)	20985	24859	19534.5	22059.5	16052.5	16381	35948	31363.5	20628.5	19924
Glycogen	16685.5	15571.5	10853.5	12440	30756	32573.5	16912.5	21068.5	17108.5	19331
DG(15:0/24:0/0:0)	15220.5	25614	23952.5	21815.5	8521.5	8460.5	9555.5	9755.5	11248	12094.5
PA(16:0/18:1)	17679.5	28379	9718.5	17492	11003.5	13099	24709	28600	16588	19927.5
CE(20:2)	5958.5	5833.5	66388	51767	5583.5	5738.5	5662	5297	9549	8570.5
PA(18:4/18:4)	8855.5	8464	7005.5	6708	6764	8253.5	8777	9663.5	9246	7818
PC(14:1/15:0)	19177.5	25875	18670	23436.5	10064	10048	24818.5	27777	16122	19382.5
Cyclic diGMP	9312	8857	12442.5	10031.5	12873	15378.5	12375	14686.5	12673.5	13360.5
H-chromen-yl}-hydroxyphenyl...	15138.5	11242.5	9415	8882	14874	18999	15306.5	19436	13376	11970
PC(14:0/15:0)	22829	41485.5	26914	30902.5	13518.5	13404.5	36673.5	35889.5	21519	28646.5
Hexadecanoyloleanolic acid	6339.5	7517	57645	43835.5	14867.5	14844	18861.5	23014.5	20051.5	23294
PE(18:4/P-16:0)	104609	128100.5	35965.5	43587	72982.5	56374	116795	83799	101796	83380
Octaprenyl-methyl-methoxy-b...	9734.5	9257.5	53148.5	35650	8217	9311	12147.5	10574.5	11152.5	12141
H-chromen-yl]-2,dihydroxyph...	11111	12888.5	13953	13020	14283.5	14942.5	14362	22528.5	13270.5	12993
PA(14:1/22:2)	32059.5	49919	13239	18852.5	18150	18030	39323	39671	23085	31195.5
PA(18:0/18:2)	31819	55486.5	26303	32970	17189	17890.5	40632.5	47643.5	25220	32785.5
SM(d18:0/16:1)	27309.5	44612	50814	50373	14239	16012.5	33104	32746	22314.5	29097
PC(14:0/16:0)	10142	12121.5	89282	61323.5	12243	15933	13058.5	12543	18250.5	16577.5
Pradimicin B	11880.5	7597.5	9594	9882.5	10247	10007	10306.5	8853	9879.5	8538
O-(Benzoyl)benzoyl ATP	39529	17069.5	9480	8864.5	36103	38630	36087.5	33533.5	23355.5	21500
Neocasomorphin	7144	5634.5	7377.5	7586.5	7326.5	12253.5	9119.5	9327.5	8354.5	10001
PG(16:1/16:1)	10932.5	11879.5	8803.5	9940.5	46890.5	61334	13480	12442	17613	24107.5
PA(16:0/22:5)	17706	27203	20156.5	17929.5	13565.5	18020	20692.5	23617	14704.5	18878
PE(18:3/P-18:1)	2670248.5	4356166	308352	959322.5	504723.5	599677.5	1980237.5	2026710	1139433.5	1616458
PS(14:1/18:3)	9663	12564	4989.5	5195	4517	5578.5	6902.5	7501	6214	7510
PE(18:1/P-18:1)	226957	363766	370629.5	331963	86990.5	97150.5	239361.5	221674	185025	216553
Licoagrodin	5176	5916.5	7462.5	6609	5190.5	5542.5	6197	5641.5	6979.5	6376.5
H-chromen-yl]oxy}-4,dihydro...	10366.5	9256	7295	7342.5	29614	27812.5	12487	12591	9574	8833.5
PS(16:0/16:0)	12658.5	12247	38921.5	30627	22577	15987.5	12168.5	12632	11711	12891.5
PC(18:4/P-16:0)	254244.5	408026.5	102599	148396.5	54902	62770.5	178873	177214.5	123017	158744
PC(15:0/18:3)	331249.5	494793.5	157075	273936	91151.5	102139	561329	542149	245234.5	317543
NADP (ox)	46023.5	26994	9144	12819	34144	37959.5	43212.5	40832	20679.5	21110.5
PG(16:0/18:3)	22660	35571.5	27404.5	25967	44494	58104	42547.5	43405.5	27183	35678.5
Hedamycin	8221	11377.5	7384.5	8402	6501.5	7365.5	11465.5	10648	9444.5	9309.5
O-b-Gal-(>3)-O-[O-b-Gal-(>4...	9789.5	14263.5	7977.5	8717.5	6377.5	7633	9800	9462	9419.5	9703
Pelargonidin sophoroside he...	4501.5	5036.5	7432.5	8541.5	5209.5	6138.5	5605.5	7044.5	6875	6396
PE(18:4/20:5)	8522	9887.5	26634.5	19841	6015	5741	9568.5	9763.5	9831.5	9205.5
PS(16:0/18:1)	47208	83909.5	74967.5	106578.5	55289	52444	80939.5	69352.5	53303.5	68611.5
Narasin B	10823	11546	46702	31509.5	54832	68531.5	11325.5	12455	16347	27201.5
S)-6Hydroxy-tetrahydronicot...	9234.5	9438.5	9122.5	9023	10115.5	12841	15353.5	17036.5	11412.5	10893.5
PE(16:0/22:6)	114615.5	161280	77261.5	98948.5	64393.5	77957.5	127543	126982	80601	106330
TG(14:1/14:1/18:4)	20754.5	28400	42807	45625	12217	13239.5	30647.5	30821	21022	25641
Torvoside E	8763.5	9319.5	22349.5	14966.5	5784	6448.5	9217	10150.5	8089	8406
PG(16:0/20:4)	205482	285297	57771.5	85824.5	78021.5	93389	374655	382213.5	141917	178643
Phyllanthusol B	7080.5	7522	6183	7182.5	6100	5618.5	9620	9181	8231	9083.5
PG(16:0/20:3)	243182.5	338464.5	72068	115837	148802.5	178040	618660.5	632190	217976.5	268754
TG(14:0/14:0/18:3)	16131	25345	36103.5	31138	13382	11546	23848.5	24354.5	22330	22008.5
PC(15:0/20:0)	358686	465560	31914	37692	359769	400830	349275	376290	186063	215128
TG(16:0/14:0/16:1)	9608.5	9999	18901	16418	9624	10434.5	12809	10839.5	13752	13535
PE(22:4/P-18:1)	990673	1644990.5	214829	453907.5	292421	325923.5	1152449.5	1133365.5	553206.5	721322.5
Sulfohexosylceramide (d18:1...	52014	70347	72140.5	81567	29849	30060.5	77458.5	73751.5	47269.5	59662
Digoxin	11506.5	12668.5	8629	10120	8203.5	9112	13237	13800.5	10281	12138.5
PS(16:0/20:3)	106364.5	156106.5	98892.5	114372.5	36498.5	39015	122851	106441	74811	94097.5
PC(20:5/P-18:1)	82222	311418.5	76669.5	133042.5	90840	76672.5	87513	72177.5	85713.5	95362
TG(14:1/14:1/20:5)	13728	18023.5	26328.5	25224	9510	10727	17923	17875	15144.5	16116
PG(18:0/20:3)	54150.5	70348	39797.5	50606	35879	43206	81494	83328.5	46089.5	54308
PC(o-16:0/22:0)	19091	24287.5	28332.5	25904	13955	14329.5	19374	19690.5	20710	20248.5
Nostocyclopeptide A3	8328	8986.5	13483	11026	6685	8770.5	9281	10098.5	10060	8759.5
Acetyldigitoxin	9484	11110	22105	15939	8129.5	7746.5	11663.5	11575	10008	11203.5
TG(15:0/16:0/o-18:0)	12697	11270	10797.5	10493	10761.5	10313	12084	12733	19271.5	17453.5
PC(22:6/P-18:1)	41145	61662	56276.5	74153.5	26113	26554	58481	57276.5	38758	50578
Momorcharaside A	14285	14793.5	41645.5	29802	10071.5	10461	19929.5	18995	14998.5	12886
SM(d18:0/24:0)	11363	10143	17844.5	15139	9556	10131.5	13480	12533	18654	16236
PG(18:2/22:6)	90358.5	118873.5	38710.5	50287	29297.5	34787.5	130032	131458	59824.5	75122
PGP(16:1/18:3)	13093.5	14104	29730.5	22241	8692	9617	17312.5	14980.5	12336	12798.5
PA(22:4/24:1)	61469.5	100964	29801	42038.5	31294.5	37538.5	67873	70930.5	42106.5	56823
Lucyoside M	8740	8458	23311.5	19945.5	6727.5	6363.5	9087.5	8296	8286	8816.5
Isofucosterol O-[O-(Octadec...	18193.5	25882	16693.5	19411	12136	11473.5	19357	19527	19668	20334
PC(16:0/24:1)	17962.5	16381	24984.5	21978	12564	13225.5	18129.5	17457.5	25909	23548.5
Azaspiracid 2	50467	49816	84378	109753	25806	25710.5	74468.5	64269	58703	72460.5
PE(20:0/24:1)	97500.5	113281.5	21378	18959	34513	41351.5	47896.5	51113	40193	40511
Hydroxy rifabutin	9015.5	8478.5	30136	22393	7944	8537	9275.5	8519	9400	8745.5
Trypan Blue	68985.5	26530	11538.5	10782.5	57347.5	68236	66386.5	60899	47289	43854
206	42824.5	59904.5	37955.5	54893	21888.5	26940	64920.5	67393.5	39245	51174.5
TG(15:0/16:0/22:2)	10670	7533.5	9552	9773	10569	11171	12061	10828	15889	15138
Glucoconvallatoxoloside	20890	16558	15309.5	11240	16254	17641.5	19926.5	18187	15192.5	13956
Glutaryl-CoA	6261.5	6753.5	7562	8450.5	5751.5	7079	7581.5	8320	8310.5	8756
Thermocryptoxanthin-11	13732.5	17259	21376.5	17207	8844.5	12841	15835	21508.5	20532.5	20725
TG(16:0/18:0/20:4)	27601.5	11578.5	18716	13199.5	22861.5	23327.5	25560.5	21824	42259	29735
PE(22:1/24:1)	158158	184889	29041.5	25913.5	50047.5	56809.5	75001	81644	51287	63608
PE(22:0/24:1)	286020	435745.5	13532.5	13413.5	161195.5	174986	159461	161906	86282	109233.5
TG(14:1/20:5/22:6)	21461	24535.5	18801.5	20340	15004	15449	25859	24474.5	22706	23374.5
TG(15:0/18:0/22:5)	11565.5	6020	9558	9791.5	10351.5	11186	11659	10082.5	17909	15819
H-benzopyran-yl]-4,12,1trio...	13912	11096.5	9513.5	8915	13853	15886.5	14906	14467	9003	9210
Phenylglyoxylyl-CoA	7828	6360.5	6697	7268	10633	12122.5	7843.5	8347	7859	8873
TG(16:0/20:4/20:4)	18031	13789.5	17011.5	13924.5	18300.5	18114.5	20239.5	18147	26737.5	21573
Oxooctanoyl-CoA	9901.5	7625.5	6516.5	6211	8642.5	9383	10936	12034	8645	8472.5
Tragopogonsaponin K	19313.5	17129	25795.5	36170.5	11738	13331.5	20963	22009	21197.5	22688
Decanoyl-CoA (n-C10:0CoA)	14445.5	12313	8812	9142	12334.5	11653.5	16651.5	17420	14718	13206
Undecaprenyl PP	16211	22689	14440	15177	18606	23954	20041.5	21276.5	19589.5	22208
TG(18:1/20:4/20:4)	9393.5	6070.5	12346.5	12417	8256.5	10058	10969	11136.5	13023.5	12171.5
Angiotensin III	12754	14126	36195.5	34200	9386	10481	14921	13367	15350	15563.5
Cyanidin O-[b-Glucopyranosy...	12756	9084	5808	6606.5	13325.5	14696.5	14782	14220	10325.5	10769
Tragopogonsaponin M	66035	93924	68651	119289	40290	43063.5	80585.5	73465	67017	76440.5
Rebaudioside C	17989.5	13809	29866.5	29958.5	11118	11462	16460.5	15566	17163.5	16338
TG(20:4/20:4/20:4)	9583	6444	13934.5	11358.5	9146	10584	11416.5	10106.5	13133.5	12250
TG(20:0/22:4/o-18:0)	15291.5	7918.5	7888	7396	12741	15695.5	15061	14642	16578.5	15099.5
TG(14:0/24:1/22:6)	12639	7591.5	12258	9275.5	12252.5	14258.5	14454	15020	15487	15788.5
A-Deolivosylpremithramycin B	8422.5	6054.5	22714.5	19386.5	7998	8831.5	9089	8387	9020	8278.5
TG(22:6/18:3/22:6)	12399.5	11946.5	13092.5	10064.5	9555.5	10684	12162	13522.5	14055	16323.5
CL(8:0/8:0/8:0/13:0)	28490.5	26721.5	29435	38158.5	15687	16131.5	31822.5	28801.5	30712	34497
TG(15:0/24:1/22:6)	11825.5	6724.5	8535.5	7591.5	12998.5	12859	12863	11444.5	14510	12643
E)-Tetradecenoyl-CoA	6014.5	3778.5	39083.5	23184.5	6017.5	6057	7278	5991.5	7795	7162.5
PC(DiMe/DiMe)	8336	6376	14239.5	12285	7997.5	8563	8752.5	7991	10388.5	9545.5
TG(22:0/22:2/o-18:0)	15881	8106.5	7321	8726.5	14073	17260	15228.5	15452.5	12184	12144.5
Feruloyl-diketide-CoA	23527	9812	6156.5	6374	19907	23818	22604.5	21391	13330	12510.5
Quinquenoside III	11809.5	11801.5	16741.5	15704	7763	9435.5	12715.5	12915	15938.5	16073
Maltohexaose	8058.5	6043	16954	11361.5	33357.5	36745	7715.5	8736	11649.5	13038
Quinquenoside I	9235	10724	12868	11976	7691.5	8928.5	12465	11398.5	13974.5	14302
Hydroxyhexadecanoyl-CoA	18679	8722	39225	25395.5	13999.5	17855.5	16479	15258	10426.5	9987.5
TG(22:6/22:6/22:6)	19714	15506.5	10958	8955	14071	14260	22598.5	20601.5	16267	17103
CL(8:0/8:0/8:0/18:0)	9398.5	8975	16298	11863.5	7873.5	9393.5	11222	13407	11925.5	11725.5
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	ion Mz	Formula	CHEBI	HMDB	KEGG
Acetone	57.0344	C3H6O		HMDB0036190	C19491
Potassium acetate	58.0059	C2H3O2.		HMDB0114643
Acetamide	58.0296	C2H5NO		HMDB0040272
Propanol	59.0503	C3H8O		HMDB0114643
Peroxynitrite	61.9883	HNO3		HMDB0114643	C11507
Butynal	67.0184	C4H4O		HMDB0033624
Butynol	69.0343	C4H6O	CHEBI:132839	HMDB0036685
Acrylamide	70.0298	C3H5NO		HMDB0038055
Propenoic acid C3:1	71.0139	C3H4O2		HMDB0125179
Butanal	71.0503	C4H8O	CHEBI:16320	HMDB0037272
Glyoxylic acid	72.9930	C2H2O3	CHEBI:18041	HMDB0136019
Propene-thiol	73.0115	C3H6S	CHEBI:132839	HMDB0114643
C3:0 (Propionic acid)	73.0296	C3H6O2		HMDB0133163
Glycine	74.0247	C2H5NO2		HMDB0133719
Thioacetic acid	74.9908	C2H4OS		HMDB0124594
Glycolate	75.0089	C2H4O3	CHEBI:61771
Benzene	77.0397	C6H6	CHEBI:89943		C05145
Methylfuran	81.0345	C5H6O		HMDB0133719
Methyl propenyl ketone	83.0500	C5H8O		C00588
Acetone cyanohydrin	84.0455	C4H7NO	CHEBI:34048
Succinic aldehyde	85.0294	C4H6O2	CHEBI:53773
Iso-Valeraldehyde	85.0655	C5H10O		HMDB0062313
Dehydroalanine	86.0245	C3H5NO2			C02218
Alanine	88.0404	C3H7NO2		HMDB0094654
Lactate	89.0244	C3H6O3		HMDB0094599
Thioglycolic acid	90.9856	C2H4O2S		HMDB0124594
Toluene	91.0552	C7H8		HMDB0124594
Aniline	92.0505	C6H7N		HMDB0135848
Methylpyrazine	93.0457	C5H6N2		HMDB0127029
Hydroxypyridine	94.0296	C5H5NO		HMDB0127029
Furfural	95.0141	C5H4O2	CHEBI:66879	HMDB0002586
Cyclohexenone	95.0501	C6H8O		HMDB0036047
Cyclohexanone	97.0656	C6H10O		HMDB0000186
Dihydro-dimethyl-1H-imidazole	97.0773	C5H10N2		HMDB0000186
Piperidinone	98.0611	C5H9NO		HMDB0000865
Valerolactone	99.0448	C5H8O2		HMDB0124594
Homoserine lactone	100.0404	C4H7NO2		HMDB0031484
Pentanamide	100.0767	C5H11NO		HMDB0061945
Oxobutanoic acid	101.0240	C4H6O3		HMDB0127029	C02486
NDEA	101.0712	C4H10N2O	CHEBI:18010	HMDB0127029
Aminobutanoic acid (ABA)	102.0558	C4H9NO2			C05831
Hydroxybutanoic acid	103.0398	C4H8O3		HMDB0000532	C00969
Pentanethiol	103.0590	C5H12S		HMDB0135745
Serine	104.0349	C3H7NO3	CHEBI:16182
Glyceric acid	105.0190	C3H6O4		HMDB0036597
Diethylene glycol	105.0550	C4H10O3		HMDB0132807
Dihydroperoxypropane	107.0355	C3H8O4		HMDB0140956
Benzyl alcohol	107.0498	C7H8O	CHEBI:669
Benzosemiquinone	108.0214	C6H5O2		HMDB0012815
Vinylthiophene	109.0112	C6H6S	CHEBI:16182
Catechol	109.0291	C6H6O2	CHEBI:16562
Histamine	110.0715	C5H9N3			C00969
Monomethyl sulfate	110.9755	CH4O4S	CHEBI:15348
Furoic acid	111.0084	C5H4O3		HMDB0041573
Uracil	111.0195	C4H4N2O2	CHEBI:6151
Nitrofuran	112.0037	C4H3NO3	CHEBI:16182
Pyrroline carboxylic acid	112.0402	C5H7NO2		HMDB0041573
Creatinine	112.0513	C4H7N3O			C02362
Hydroxy-pentadienoic acid	113.0245	C5H6O3		HMDB0035390
Di-propenyl sulfide	113.0436	C6H10S	CHEBI:173382
Delta-Hexanolactone	113.0603	C6H10O2		HMDB0031514
Maleamic acid	114.0197	C4H5NO3		HMDB0141768
Proline	114.0558	C5H9NO2		HMDB0059847
Fumarate	115.0035	C4H4O4		HMDB0029230	C10677
Ketovaline	115.0399	C5H8O3		HMDB0060987
Aminopentanamide	115.0868	C5H12N2O		HMDB0036685
Aspartate semialdehyde	116.0350	C4H7NO3			C00441
Guanidinoacetic acid	116.0461	C3H7N3O2		HMDB0040167
Indole	116.0502	C8H7N		HMDB0133163
Valine; Betaine	116.0716	C5H11NO2	CHEBI:39066	HMDB0124594
Benzofuran	117.0339	C8H6O		HMDB0094654	C06421
Hydroxypentanoic acid	117.0557	C5H10O3		HMDB0032595	C10906
Diisopropyl sulfide	117.0749	C6H14S		HMDB0032457	C14078
Threonine	118.0505	C4H9NO3		HMDB0035667
Tetrose	119.0350	C4H8O4		HMDB0032532
Phenylacetaldehyde	119.0500	C8H8O		HMDB0134153	C04574
Benzamide	120.0450	C7H7NO	CHEBI:40131
Mercaptolactate	120.9962	C3H6O3S		HMDB0032320
Benzoate	121.0293	C7H6O2			C00180
Nicotinamide	121.0400	C6H6N2O			C00153
Phenylethyl alcohol	121.0659	C8H10O	CHEBI:18010		C00464
Nicotinate	122.0244	C6H5NO2		HMDB0125227	C11462
Orcinol	123.0453	C7H8O2			C16366
Dimethyl-cyclohexen-one	123.0812	C8H12O		HMDB0034160
Taurine	124.0073	C2H7NO3S			C15159
Ethylmaleimide	124.0400	C6H7NO2	CHEBI:15401
Methyl-thiophenecarboxaldehyde	125.0064	C6H6OS		HMDB0031514	C20483
Pyrogallic acid	125.0243	C6H6O3	CHEBI:16164
Amino-imidazolecarboxyamide	125.0463	C4H6N4O	CHEBI:2030
Toluene-cis-dihydrodiol	125.0605	C7H10O2	n/a
Sulcatonea1	125.0967	C6H12N3	CHEBI:16310
Trihydroxypyridine	126.0193	C5H5NO3		HMDB0124594
Dihydro-dimethyl-furandione	127.0399	C6H8O3	CHEBI:27565	HMDB0040887
Ethyl tiglate	127.0760	C7H12O2	CHEBI:31128	HMDB0112223
Cyanuric acid	128.0095	C3H3N3O3		HMDB0029939
Goitrin	128.0185	C5H7NOS		HMDB0036576
Oxoproline	128.0351	C5H7NO3	CHEBI:38506	HMDB0094599
Pipecolate	128.0706	C6H11NO2		HMDB0135798
Itaconate	129.0189	C5H6O4		HMDB0133177
Methylthio)methyl]-butenal	129.0385	C6H10OS		HMDB0035122
Methyl-oxopentanoate	129.0557	C6H10O3		HMDB0137293
Oxosuccinamate	130.0138	C4H5NO4	CHEBI:16327	HMDB0094599
Aminolevulinic acid	130.0508	C5H9NO3	CHEBI:17549
Iso)Leucine	130.0874	C6H13NO2	CHEBI:15603		C01571
Glutarate	131.0348	C5H8O4	CHEBI:35907	HMDB0004291
Asparagine	131.0464	C4H8N2O3		HMDB0038040
Cinnamaldehyde	131.0501	C9H8O			C00903
Mercapto-methyl-pentanone	131.0537	C6H12OS		HMDB31519
Ornithine	131.0824	C5H12N2O2		HMDB0000214
Aspartate	132.0302	C4H7NO4			C00049
Hydroxy-valine	132.0664	C5H11NO3			C20313
Malate	133.0141	C4H6O5	30797	HMDB0000156	C00149
Deoxyribose	133.0504	C5H10O4	28816	HMDB0003224	C01801
Indan-ol	133.0658	C9H10O	N/A
Benzothiazole	134.0078	C7H5NS	45993	HMDB0032930	-
Adenine	134.0472	C5H5N5	16708	HMDB0000034	C00147
Phenylacetamide	134.0604	C8H9NO	16562	HMDB0010715	C02505
Threonate	135.0295	C4H8O5	15908	HMDB0000943	C01620
Phenyl acetate	135.0450	C8H8O2	8082	HMDB0040733	C15583
Methylerythritol	135.0662	C5H12O4	N/A
Propylphenol	135.0811	C9H12O	CHEBI:147331	-	-
Sodium salicylate	136.0162	C7H5O3.		HMDB0036411	-
Tyramine	136.0763	C8H11NO	15760	HMDB0000306	C00483
Hydroxybenzoate	137.0239	C7H6O3	30763	HMDB0000500	C00156
Urocanate	137.0356	C6H6N2O2	30817	HMDB0000301	C00785
Hydroxypurine	137.0466	C5H6N4O	-	-	C00242
Carbamoyl phosphate	139.9759	CH4NO5P	17672	HMDB0001096	C00169
Methamidophos	139.9941	C2H8NO2PS	38721	HMDB0031803	C18667
Ethosuximide	140.0716	C7H11NO2	4887	HMDB0014731	C07505
Thien-ylacetate	141.0019	C6H6O2S	CHEBI:45807	-	-
Ectoine	141.0671	C6H10N2O2	27592	HMDB0240650	C06231
Methyl-heptanone	141.1284	C9H18O	CHEBI:89195	-	-
Hydroxymethylclavam	142.0509	C6H9NO3	CHEBI:81026	-	-
Methylquinoline	142.0660	C10H9N	132813	HMDB0042004	-
E)-(Trimethylammonio)but-en...	142.0876	C7H13NO2	CHEBI:17237	-	-
Dimethylmaleate	143.0352	C6H8O4	23812	HMDB0036232	C00922
Amino-piperidinecarboxylic ...	143.0835	C6H12N2O2	CHEBI:231990	-	-
Octanoic acid	143.1078	C8H16O2	28837	HMDB0000482	C06423
Acetylcadaverine	143.1185	C7H16N2O	88824	HMDB0002284	-
Homoagmatine	143.1304	C6H16N4	-	HMDB0031505	-
Methyleneoxindole	144.0450	C9H7NO	CHEBI:17920	-	-
Acetamidobutanoate	144.0665	C6H11NO3	CHEBI:11951	-	-
Oxoglutaratea1	145.0142	C5H6O5	-	-	C00026
Coumarin	145.0289	C9H6O2	28794	HMDB0001218	C05851
Methylglutaric acid	145.0504	C6H10O4	68566	HMDB0000752	-
Glutamine	145.0619	C5H10N2O3	18050	HMDB0000641	C00064
Lysine	145.0981	C6H14N2O2	18019	HMDB0000182	C00047
Acetylcholine	145.1112	C7H16NO2	15355	HMDB0000895	C01996
Octanediol	145.1231	C8H18O2	CHEBI:37872	-	-
Glutamate	146.0458	C5H9NO4	16015	HMDB0000148	C00025
Methylthiopentanaldoxime	146.0651	C6H13NOS	n/a	-	-
R,3R,4R)-Amino-hydroxy-meth...	146.0820	C6H13NO3	n/a	-	-
Hydroxyglutaratea1	147.0299	C5H8O5	C02630	-	-
Methylthio)propyl acetate	147.0485	C6H12O2S	CHEBI:87281	-	-
Mevalonate	147.0665	C6H12O4	17710	HMDB0000227	C00418
Cuminaldehyde	147.0817	C10H12O	28671	HMDB0002214	C06577
Nornicotine	147.0920	C9H12N2	28313	HMDB0001126	C06524
Methionine	148.0440	C5H11NO2S	16643	HMDB0000696	C00073
Asparagusic acid	148.9738	C4H6O2S2	18091	HMDB0029611	C01892
Thiodiacetic acid	148.9910	C4H6O4S	35012	HMDB0042032	C14872
Tartaric acida1	149.0095	C4H6O6	n/a	-	-
Phenylglyoxylic acid	149.0247	C8H6O3	18280	HMDB0001587	C02137
Pentosea1	149.0456	C5H10O5	n/a	-	-
Hydrocinnamic acid	149.0607	C9H10O2	28631	HMDB0000764	C05629
Benzisothiazol-3(2H)-one	150.0022	C7H5NOS	n/a	-	-
CMethylcysteine sulfoxide	150.0229	C4H9NO3S	137271	-	-
Acetaminophen	150.0564	C8H9NO2	46195	HMDB0001859	C06804
Xanthine	151.0254	C5H4N4O2	17712	HMDB0000292	C00385
Hydroxyphenylacetic acid	151.0398	C8H8O3	28478	HMDB0000669	C05852
Isopropyl-benzenediol	151.0763	C9H12O2	172413	-	-
Hydroxyanthranilic acid	152.0358	C7H7NO3	CHEBI:15793	-	-
Methyl propyl trisulfide	152.9875	C4H10S3	-	HMDB0031871	-
S,5S)-Carbapenam-carboxylic...	154.0506	C7H9NO3	CHEBI:73978	-	-
Histidine	154.0625	C6H9N3O2	15971	HMDB0000177	C00135
(sulfooxy)acetic acid	154.9655	C2H4O6S	CHEBI:189892	-	-
Dihydroxypropane-sulfonate	155.0014	C3H8O5S	CHEBI:60997	-	-
Ascladiol	155.0350	C7H8O4	-	HMDB0029610	-
Hydroxymethyl-methyluracil	155.0463	C6H8N2O3	CHEBI:165843	-	-
Hydroxy-octadienoic acid	155.0714	C8H12O3	n/a	-	-
C9:1	155.1080	C9H16O2	CHEBI:174439	-	-
Menthol	155.1446	C10H20O	15409	HMDB0003352	C00400
Aminomuconic acid	156.0302	C6H7NO4	CHEBI:16886	-	-
nitrosonaphthalene	156.0445	C10H7NO	CHEBI:34108	-	-
Methylcrotonylglycine	156.0665	C7H11NO3	CHEBI:68499	-	-
Isopropylmaleate	157.0508	C7H10O4	17275	HMDB0012241	C02631
Oenanthic ether	157.1233	C9H18O2	86618	HMDB0000798	-
Amino-methylenepentanedioic...	158.0461	C6H9NO4	n/a	-	-
Methylbutyrylglycine	158.0826	C7H13NO3	n/a	-	-
Oxoadipate	159.0301	C6H8O5	15753	HMDB0000225	C00322
Pimelate	159.0661	C7H12O4	30531	HMDB0000857	C02656
Ala-Ala	159.0778	C6H12N2O3	16576	HMDB0003459	C00993
Dehydrocarnitine	159.0906	C7H14NO3	CHEBI:57885	-	-
Indolecarboxylic acid	160.0401	C9H7NO2	CHEBI:46867	-	-
Aminoadipate	160.0618	C6H11NO4	37023	HMDB0000510	C00956
Methylthiohexanaldoxime	160.0812	C7H15NOS	CHEBI:168823	-	-
Umbelliferone	161.0237	C9H6O3	27510	HMDB0029865	C09315
Hydroxyadipatea1	161.0458	C6H10O5	CHEBI:17023	-	-
Cymarose	161.0816	C7H14O4	CHEBI:10366	-	-
Phenyl-pentanone	161.0963	C11H14O	n/a	-	-
Methyldioxyindole	162.0556	C9H9NO2	CHEBI:28254	-	-
Amino-dideoxy-hexose	162.0775	C6H13NO4	-	-	-
Coumarate	163.0400	C9H8O3	28873	HMDB0041592	C05838
Deoxyhexosea1	163.0612	C6H12O5	n/a	-	-
Pyridoxolactone	164.0361	C8H7NO3	CHEBI:2124	-	-
Methylguanine	164.0575	C6H7N5O	CHEBI:25305	-	-
Phenylalanine	164.0716	C9H11NO2	17295	HMDB0000159	C00079
Phthalate	165.0190	C8H6O4	29069	HMDB0002107	C01606
Pentonic acida1	165.0407	C5H10O6	CHEBI:33753	-	-
Hydroxyphenyl)propanoic acid	165.0557	C9H10O3	CHEBI:16104	-	-
Methyl-pentenyl)thiophene	165.0753	C10H14S	CHEBI:166584	-	-
Nopol	165.1285	C11H18O	525644	HMDB0030002	-
Quinolinate	166.0146	C7H5NO4	16675	HMDB0000232	C03722
Pyridoxal	166.0509	C8H9NO3	17310	HMDB0001545	C00250
Undecenal	167.1442	C11H20O	132843	HMDB0040247	-
Phosphodimethylethanolamine	168.0426	C4H12NO4P	31997	HMDB0060244	C13482
Methyl-His	168.0775	C7H11N3O2	n/a	-	-
Pyridoxaminium(1+)	168.0905	C8H13N2O2	57761	HMDB0062696	-
Homoarecoline	168.1032	C9H15NO2	-	HMDB0038321	-
Gallic acida1	169.0150	C7H6O5	n/a	-	-
Dihydroxyphenylglycol	169.0501	C8H10O4	n/a	-	-
Methyl naphthyl ketone	169.0656	C12H10O	n/a	-	-
Levetiracetam	169.0992	C8H14N2O2	352567	HMDB0015333	C07841
C10:1	169.1234	C10H18O2	n/a	-	-
Undecanal	169.1594	C11H22O	46202	HMDB0030941	-
Tetrahydrodipicolinate	170.0458	C7H9NO4	864	HMDB0012289	C03972
Crotanecine	170.0818	C8H13NO3	n/a	-	-
Toluene-sulfonate	171.0122	C7H8O3S	n/a	-	-
Octenedioic acid	171.0663	C8H12O4	n/a	-	-
Decanoic acid (FA10:0)	171.1390	C10H20O2	n/a	-	-
Azaserine	172.0364	C5H7N3O4	n/a	-	-
Acetyl-Glu-semialdehyde	172.0617	C7H11NO4	n/a	-	-
Phenol sulfate	172.9917	C6H6O4S	27905	HMDB0060015	C02180
Aconitate	173.0086	C6H6O6	32805	HMDB0000072	C00417
Shikimate	173.0455	C7H10O5	16119	HMDB0003070	C00493
Acetylornithine	173.0935	C7H14N2O3	-	HMDB0003357	-
Arginine	173.1045	C6H14N4O2	16467	HMDB0000517	C00062
E)-Sulforaphene	174.0052	C6H9NOS2	-	HMDB0031573	-
Acetyl-Asp	174.0412	C6H9NO5	n/a	-	-
Hexuronic acid; Ascorbate	175.0246	C6H8O6	CHEBI:22651	-	-
Naphthalenertriol	175.0402	C10H8O3	CHEBI:18393	-	-
Oxo-methylthiohexanoic acid	175.0438	C7H12O3S	CHEBI:80965	-	-
Propylmalate	175.0612	C7H12O5	CHEBI:15594	-	-
Cladinose	175.0975	C8H16O4	-	HMDB0250311	-
Methyl-phenyl-pentanone	175.1119	C12H16O	CHEBI:169560	-	-
Hydroxy-methyl-Glu	176.0563	C6H11NO5	CHEBI:48926	-	-
Dihydroxycoumarin	177.0204	C9H6O4	CHEBI:17313	-	-
Cys-Gly	177.0339	C5H10N2O3S	4047	HMDB0000078	C01419
Methoxycinnamic acid	177.0561	C10H10O3	CHEBI:136676	-	-
Digitalose	177.0764	C7H14O5	CHEBI:10368	-	-
Phenylvaleric acid	177.0919	C11H14O2	40131	HMDB0002043	-
Propofol	177.1280	C12H18O	44915	HMDB0014956	C07523
Isoxanthopterina1	178.0371	C6H13NOS2	n/a	-	-
Hippurate	178.0510	C9H9NO3	18089	HMDB0000714	C01586
Cyclohexylsulfamate	178.0550	C6H13NO3S	15964	HMDB0031340	C02824
Hydroxyphenylpyruvic acid	179.0350	C9H8O4	15999	HMDB0000707	C01179
Hexose	179.0561	C6H12O6	28061	HMDB0000143	C00124
Tetramethyl-dioxaspiro[4.4]...	179.1072	C11H16O2	n/a	-	-
Dodecatrien-ol	179.1437	C12H20O	n/a	-	-
Acamprosate	180.0335	C5H11NO4S	51041	HMDB0014797	-
Tyrosine	180.0666	C9H11NO3	17895	HMDB0000158	C00082
Methylynephrine	180.1035	C10H15NO2	n/a	-	-
H-benzodioxole-carboxylic acid	181.0146	C8H6O5	n/a	-	-
Methyluric acid	181.0361	C6H6N4O3	n/a	-	-
Homovanillic acid	181.0507	C9H10O4	545959	HMDB0000118	C05582
Mannitol	181.0709	C6H14O6	16899	HMDB0000765	C00392
Amyl furoate	181.0870	C10H14O3	-	HMDB0029456	-
Geranyl formate	181.1231	C11H18O2	n/a	-	-
Pyridoxate	182.0466	C8H9NO4	17405	HMDB0000017	C00847
Adrenaline	182.0815	C9H13NO3	28918	HMDB0000068	C00788
Pyrone-dicarboxylate	182.9926	C7H4O6	n/a	-	-
Polystyrene sulfonate	183.0128	C8H8O3S	-	HMDB0015435	-
Dihydroxymandelate	183.0288	C8H8O5	27637	HMDB0001866	C05580
Choline-Pa1	183.0663	C9H12O4	n/a	-	-
Citronellyl formate	183.1392	C11H20O2	-	HMDB0033371	C12295
Dodecylaldehyde	183.1751	C12H24O	27836	HMDB0033933	C02278
Phosphoserine	184.0020	C3H8NO6P	15811	HMDB0000272	C01005
Sulfobenzaldehyde	184.9909	C7H6O4S	n/a	-	-
Erinapyrone C	185.0454	C8H10O5	168041	HMDB0041026	-
Undecanoic acid	185.1546	C11H22O2	32368	HMDB0000947	C17715
Malonylamino)cyclopropaneca...	186.0411	C7H9NO5	n/a	-	-
Keto-acetamidocaproate	186.0762	C8H13NO4	n/a	-	-
Heptanoylglycine	186.1138	C9H17NO3	n/a	-	-
Cresol sulfate	187.0073	C7H8O4S	n/a	-	-
Pydanon	187.0356	C6H8N2O5	n/a	-	-
Tetrahydro-furan-diacetic acid	187.0614	C8H12O5	n/a	-	-
Trigoforin	187.0753	C12H12O2	-	HMDB0029495	-
Azelaic acid	187.0975	C9H16O4	48131	HMDB0000784	C08261
Methyl-phenyl-hexenal	187.1121	C13H16O	n/a	-	-
Acetyl-Glu	188.0569	C7H11NO5	n/a	-	-
Pyrocatechol sulfate	188.9863	C6H6O5S	68505	HMDB0059724	-
Coumarin-carboxylic acid	189.0197	C10H6O4	n/a	-	-
Dehydroquinatea1	189.0406	C7H10O6	n/a	-	-
Ethyl (acetylthio)butyrate	189.0599	C8H14O3S	n/a	-	-
Hydroxysuberic acid	189.0767	C8H14O5	n/a	-	-
Damascenone	189.1286	C13H18O	67251	HMDB0013804	-
Indolequinone-carboxylic acid	190.0157	C9H5NO4	n/a	-	-
Calystegine C1a1	190.0723	C7H13NO5	n/a	-	-
Iso)Citrate	191.0203	C6H8O7	n/a	-	-
Quinic acid	191.0564	C7H12O6	17521	HMDB0003072	C00296
C12:4	191.1074	C12H16O2	n/a	-	-
Diisopropyl-methylphenol	191.1448	C13H20O	n/a	-	-
Phenylacetylglycine	192.0669	C10H11NO3	27480	HMDB0000821	C05598
Ferulic acid	193.0506	C10H10O4	17620	HMDB0000954	C01494
Hydroxyphenanthrene	193.0657	C14H10O	n/a	-	-
Hydroxy-phenylpentanoic acid	193.0868	C11H14O3	n/a	-	-
Tetraethylene glycol	193.1074	C8H18O5	44920	HMDB0094708	-
Salicyluric acid	194.0460	C9H9NO4	9008	HMDB0000840	C07588
Amino-hydroxy-hydroxymethyl...	194.0682	C7H9N5O2	n/a	-	-
Methyl-Tyr	194.0824	C10H13NO3	n/a	-	-
Tetrahydroxypteridine	195.0150	C6H4N4O4	n/a	-	-
Hexonic acid	195.0510	C6H12O7	33198	HMDB0000625	C00257
Homoveratric acid	195.0655	C10H12O4	86655	HMDB0000434	-
Dimethoxy-propylphenol	195.1030	C11H16O3	n/a	-	-
Dihydro-(octenyl)-2(3H)-fur...	195.1393	C12H20O2	n/a	-	-
Dodecenal	195.1756	C13H24O	n/a	-	-
Amino-dinitrotoluene	196.0369	C7H7N3O4	n/a	-	-
Dihydroxy-Phe	196.0610	C9H11NO4	n/a	-	-
Acetyl-His	196.0728	C8H11N3O3	n/a	-	-
Metanephrine	196.0968	C10H15NO3	144365	HMDB0004063	C05588
Vanillylmandelic acid	197.0465	C9H10O5	1127735	HMDB0000291	C05584
Furanyl)-phenyl-propenal	197.0597	C13H10O2	n/a	-	-
Acetylamino-amino-methyluracil	197.0683	C7H10N4O3	n/a	-	-
Guaifenesin	197.0814	C10H14O4	200157	HMDB0004998	-
C12:1	197.1547	C12H22O2	n/a	-	-
homoserine	198.0174	C4H10NO6P	15699	HMDB0000719	C00263
Clavulanate	198.0399	C8H9NO5	48947	HMDB0014904	C06662
Isowillardiine	198.0515	C7H9N3O4	168734	HMDB0030376	C08289
Methyl-thiazolyl)ethyl prop...	198.0588	C9H13NO2S	n/a	-	-
Acetyl-tetrahydro-hydroxy-(...	198.0760	C9H13NO4	n/a	-	-
Ecgonine methyl ester	198.1131	C10H17NO3	708640	HMDB0006406	C12448
Dodecanamide	198.1870	C12H25NO	34726	HMDB0251566	C13831
Vinylphenol sulfate	199.0072	C8H8O4S	n/a	-	-
Dihydro-(methyl-pentenyl)-d...a1	199.0613	C9H12O5	n/a	-	-
Monobenzone	199.0755	C13H12O2	34380	HMDB0014738	C14244
Methylpropoxy)naphthalene	199.1119	C14H16O	n/a	-	-
Dodecanoic acid (FA12:0)	199.1705	C12H24O2	n/a	-	-
Sulfo-Cys	199.9683	C3H7NO5S2	n/a	-	-
Thiabendazole	200.0289	C10H7N3S	45979	HMDB0014868	C07131
Capryloylglycine	200.1294	C10H19NO3	74099	HMDB0000832	-
Sulfobenzoate	200.9865	C7H6O5S	n/a	-	-
E,3E)-Hydroxybuta-diene-1,2...	201.0048	C7H6O7	n/a	-	-
ethylphenylsulfate	201.0219	C8H10O4S	n/a	-	-
Diethyl oxalpropionatea1	201.0772	C9H14O5	n/a	-	-
Acetyl-dimethyl-2H-benzopyran	201.0909	C13H14O2	n/a	-	-
Sebacic acid	201.1129	C10H18O4	41865	HMDB0000792	C08277
Cystathionine ketimine	202.0178	C7H9NO4S	90001	HMDB0002015	-
Acetylaminoadipatea2	202.0727	C8H13NO5	n/a	-	-
O-methoxycatechol-O-sulphate	203.0018	C7H8O5S	133460	HMDB0060013	-
Daucic acid	203.0204	C7H8O7	172444	HMDB0031665	-
Trihydroxy-(hydroxymethyl)-...	203.0560	C8H12O6	n/a	-	-
Anofinic acid	203.0706	C12H12O3	-	HMDB0033303	-
Tryptophan	203.0828	C11H12N2O2	16828	HMDB0000929	C00078
Diethyl (2R,3R)-methyl-hydr...	203.0926	C9H16O5	n/a	-	-
Methyl-methylene-1,2,6,octa...	203.1292	C10H20O4	n/a	-	-
Phenformina1	204.1247	C9H19NO4	n/a	-	-
Sulfoxymethylfurfural	204.9816	C6H6O6S	n/a	-	-
Methyl -(methyl-thienyl)-pe...	205.0339	C11H10O2S	n/a	-	-
Glycyl-Methionine	205.0664	C7H14N2O3S	-	HMDB0028847	-
Ethyl trans-p-methoxycinnamate	205.0876	C12H14O3	259672	HMDB0030762	C10476
Tetramethylbutyl)-phenol	205.1600	C14H22O	n/a	-	-
Dihydrolipoamidea1	206.0674	C8H17NOS2	n/a	-	-
Acetyl-Phe	206.0811	C11H13NO3	n/a	-	-
Naphthalenesulfonic acid	207.0122	C10H8O3S	n/a	-	-
H-1,benzodioxol-yl)-oxoprop...	207.0304	C10H8O5	n/a	-	-
Methyl (Propynyl)-thiophene...	207.0483	C11H12O2S	n/a	-	-
Benzylsuccinate	207.0662	C11H12O4	-	HMDB0033376	C09816
Chalcone	207.0810	C15H12O	48965	HMDB0003066	C15589
Isoelemicin	207.1027	C12H16O3	80837	HMDB0029867	C16975
Tyr-OEt	208.0976	C11H15NO3	n/a	-	-
Labienoxime	208.1702	C13H23NO	172451	HMDB0036031	-
Vanilpyruvic acid	209.0461	C10H10O5	29538	HMDB0011714	C11963
Thiolactomycin	209.0651	C11H14O2S	n/a	-	-
Sinapyl alcohol	209.0825	C11H14O4	64557	HMDB0013070	C02325
Jasmonic acid	209.1183	C12H18O3	18292	HMDB0032797	C08491
C13:2	209.1549	C13H22O2	n/a	-	-
Methoxytyrosine	210.0773	C10H13NO4	n/a	-	-
Zalcitabine	210.0881	C9H13N3O3	10101	HMDB0015078	C07207
Thiotropocin	210.9523	C8H4O3S2	n/a	-	-
Phosphinomethylmalate	211.0015	C5H9O7P	91181	HMDB0304463	-
Urolithin B	211.0403	C13H8O3	1050862	HMDB0013696	-
Vanillactic acid	211.0607	C10H12O5	1240674	HMDB0000913	-
Benzyl Benzoate	211.0763	C14H12O2	41237	HMDB0014814	C12537
Glycyl-Histidinea1	211.0832	C7H16O7	n/a	-	-
Methyleneazelaic acid	211.0975	C11H16O4	n/a	-	-
Cucurbic acid	211.1343	C12H20O3	-	HMDB0029388	-
Undecenyl acetate	211.1702	C13H24O2	-	HMDB0031017	-
Phosphoaspartate	211.9973	C4H8NO7P	n/a	-	-
Indoxyl sulfate	212.0025	C8H7NO4S	43355	HMDB0000682	-
Droxidopa	212.0563	C9H11NO5	-	HMDB0015627	-
Benzothiazolesulfonamidea1	212.9797	C7H6N2O2S2	n/a	-	-
Dinitroguaiacol	213.0156	C7H6N2O6	n/a	-	-
hydroxy-(trihydroxyphenyl)p...	213.0412	C9H10O6	n/a	-	-
Phenyl salicylate	213.0550	C13H10O3	34918	HMDB0032018	C14163
Hydroxy-IQ	213.0774	C11H10N4O	n/a	-	-
Hexyltetrahydro-oxo-furanca...	213.1133	C11H18O4	n/a	-	-
Oxododecanoic acid	213.1495	C12H22O3	n/a	-	-
C13:0	213.1862	C13H26O2	45919	HMDB0000910	C17076
Glycerylphosphorylethanolamine	214.0490	C5H14NO6P	52330	HMDB0000114	C01233
Succinylproline	214.0720	C9H13NO5	-	-	-
Nonanoylglycine	214.1454	C11H21NO3	74439	HMDB0013279	-
(ethenyl-hydroxyphenyl)oxid...	215.0028	C8H8O5S	n/a	-	-
Dihydroxydibenzothiophene	215.0180	C12H8O2S	n/a	-	-
C-Methyl-erythritol phosphate	215.0333	C5H13O7P	n/a	-	-
Undecanedioic acid	215.1289	C11H20O4	73713	HMDB0000888	-
Hydroxydodecanoic acid	215.1652	C12H24O3	n/a	-	-
Pymetrozinea1	216.0889	C10H19NS2	n/a	-	-
Sulfosalicylic acid	216.9819	C7H6O6S	68555	HMDB0011725	C16199
Diphenyl disulfidea1	217.0152	C11H6O5	n/a	-	-
Nookatone	217.1598	C15H22O	-	HMDB0013687	-
Nitrophenyl sulfate	217.9772	C6H5NO6S	n/a	-	-
Amino-methyl-phosphomethylp...	218.0335	C6H10N3O4P	n/a	-	-
O-Succinyl-homoserinea1	218.0670	C8H13NO6	n/a	-	-
Asparaginyl-Serine	218.0784	C7H13N3O5	168921	HMDB0028740	-
Cis-zeatina1	218.1038	C9H17NO5	n/a	-	-
Thidiazurona1	219.0339	C9H16S3	n/a	-	-
Hydroxypyrenea1	219.0815	C8H16N2O3S	n/a	-	-
Di-tert-butylbenzoquinone	219.1387	C14H20O2	n/a	-	-
Histidinol phosphate	220.0481	C6H12N3O4P	n/a	-	-
Deoxysepiapterin	220.0840	C9H11N5O2	166566	HMDB0000389	-
Formetanate	220.1082	C11H15N3O2	38491	HMDB0252444	-
Flavonea1	221.0609	C7H14N2O4S	n/a	-	-
Ethyl glucuronide	221.0666	C8H14O7	87248	HMDB0010325	-
Monoisobutyl phthalic acid	221.0822	C12H14O4	90038	HMDB0002056	-
Annuionone B	221.1184	C13H18O3	143059	HMDB0032121	-
Rishitin	221.1543	C14H22O2	-	HMDB0035593	C09715
Cerulenin	222.1145	C12H17NO3	171741	HMDB0015168	C12058
Diplosporin	223.0977	C12H16O4	-	HMDB0030680	-
Epoxyeremopetasinorol	223.1338	C13H20O3	-	HMDB0029670	-
Bis(furanylmethyl) disulfide	225.0044	C10H10O2S2	n/a	-	-
Chorismate	225.0402	C10H10O6	17333	HMDB0012199	C00251
Acetylamino-formylamino-met...	225.0634	C8H10N4O4	-	-	-
Allixin	225.1130	C12H18O4	-	HMDB0040705	-
Methyl dihydrojasmonate	225.1494	C13H22O3	89741	HMDB0031740	-
C14:1	225.1859	C14H26O2	n/a	-	-
E)-oxoprop-en-yl]phenyl}oxi...	227.0025	C9H8O5S	n/a	-	-
Fenaminosulf	227.0363	C8H10N3O3S.	n/a	-	-
Prolylhydroxyproline	227.1041	C10H16N2O4	74767	HMDB0006695	-
Traumatic acid	227.1293	C12H20O4	545687	HMDB0000933	C16308
C14:0	227.2020	C14H28O2	n/a	-	-
Asparaginyl-Proline	228.0985	C9H15N3O4	-	HMDB0028739	-
Decanoylglycine	228.1608	C12H23NO3	74430	HMDB0013267	-
Hydralazine pyruvate hydrazone	229.0722	C11H10N4O2	-	HMDB0061143	-
Naproxen	229.0858	C14H14O3	7476	HMDB0001923	C01517
Dicyclohexyl disulfide	229.1084	C12H22S2	-	HMDB0041448	-
Epoxy-eudesmatrien-one	229.1225	C15H18O2	n/a	-	-
Dodecanedioic acid	229.1449	C12H22O4	4676	HMDB0000623	C02678
Methyl-(methylethyl)cyclohe...	229.1809	C13H26O3	n/a	-	-
Paracetamol sulfate	230.0126	C8H9NO5S	32635	HMDB0059911	-
NSuccinyl-glutamic acid sem...	230.0670	C9H13NO6	n/a	-	-
Isovalerylglutamic acid	230.1033	C10H17NO5	-	HMDB0000726	-
Isobutyryl-carnitine	230.1400	C11H21NO4	84838	HMDB0000736	-
Chrycolide	231.0129	C12H8O3S	169131	HMDB0035145	-
Hydroxy-methoxy-2H-furo[h]-...	231.0309	C12H8O5	n/a	-	-
E,11Z)-[(Methylthio)-penten...	231.0495	C13H12O2S	n/a	-	-
Cassiachromone	231.0653	C13H12O4	549602	HMDB0030813	-
Glycerol propanoate diacetate	231.0869	C10H16O6	n/a	-	-
NSuccinyl-ornithine	231.0990	C9H16N2O5	n/a	-	-
Pterosin O	231.1380	C15H20O2	-	HMDB0030761	-
Casimiroin	232.0609	C12H11NO4	-	HMDB0033349	C10654
Hirsutin	232.0826	C10H19NOS2	91152	HMDB0035923	-
Bithiophen-yl]-butyn-ol	233.0097	C12H10OS2	n/a	-	-
Hydroxybiphenyl-sulfinate	233.0274	C12H10O3S	n/a	-	-
S,11S)-Pterosin C	233.1190	C14H18O3	n/a	-	-
Benzoylagmatine	233.1396	C12H18N4O	n/a	-	-
Valerenic acid	233.1544	C15H22O2	-	HMDB0030016	C09743
Acetylhexosaminatea1	234.0626	C8H13NO7	n/a	-	-
Oxo-carbofuran	234.0769	C12H13NO4	n/a	-	-
Dillapional	235.0611	C12H12O5	-	HMDB0030582	-
Methionyl-Serinea1	235.0761	C8H16N2O4S	n/a	-	-
Heptyl hydroxybenzoate	235.1345	C14H20O3	n/a	-	-
Capsidiol	235.1699	C15H24O2	28283	HMDB0002352	C09627
Sepiapterina2	236.0784	C8H15NO7	n/a	-	-
Pirimicarb	237.1350	C11H18N4O2	8248	HMDB0256598	C11079
H-benzodioxol-yl)methyliden...	238.0350	C10H9NO6	n/a	-	-
Dantron	239.0358	C14H8O4	3682	HMDB0029752	C10312
Propyl (propylsulfinyl)prop...	239.0598	C9H20OS3	n/a	-	-
Indole-carboxilic acid-O-su...	239.9967	C9H7NO5S	n/a	-	-
Genipinic acid	241.0718	C11H14O6	172481	HMDB0038126	-
Carboxy-dodecanolide	241.1447	C13H22O4	n/a	-	-
Oxotetradecanoic acid	241.1805	C14H26O3	n/a	-	-
C15:0	241.2173	C15H30O2	42504	HMDB0000826	C16537
Tiglylcarnitine	242.1408	C12H21NO4	85520	HMDB0002366	-
Undecanoylglycine	242.1761	C13H25NO3	74438	HMDB0013286	-
O-sulphate	243.0328	C10H12O5S	n/a	-	-
Uridine	243.0625	C9H12N2O6	16704	HMDB0000296	C00299
Polyethylene, oxidized	243.1236	C12H20O5	168411	HMDB0032472	-
Undecanedicarboxylic acid	243.1601	C13H24O4	n/a	-	-
Hydroxymyristic acid	243.1959	C14H28O3	n/a	-	-
Debromohymenialdisine	244.0843	C11H11N5O2	n/a	-	-
Glycerophosphoglycerol	245.0431	C6H15O8P	64956	HMDB0240316	-
Dihydrouridine	245.0788	C9H14N2O6	23774	HMDB0000497	-
Hydroxydodecanedioic acid	245.1395	C12H22O5	n/a	-	-
Amylcinnamyl acetate	245.1541	C16H22O2	n/a	-	-
MG(10:0/0:0/0:0)	245.1752	C13H26O4	75526	HMDB0072866	-
Glutaminylthreonine	246.1098	C9H17N3O5	-	HMDB0028807	-
Coriandrone E	247.0606	C13H12O5	-	HMDB0029971	-
Prenyl hexoside	247.1188	C11H20O6	n/a	-	-
Sulfapyridine	248.0490	C11H11N3O2S	132842	HMDB0015028	-
R)-O-Phospho-sulfolactate	248.9481	C3H7O9PS	n/a	-	-
Sulfonyldiphenol	249.0226	C12H10O4S	n/a	-	-
Glutamylcysteine	249.0556	C8H14N2O5S	156047	HMDB0028816	-
Methoxycanthin-one	249.0659	C15H10N2O2	n/a	-	-
Methylthio)pentylmalic acid	249.0803	C10H18O5S	n/a	-	-
C16:3	249.1861	C16H26O2	n/a	-	-
Morindaparvin A	251.0352	C15H8O4	n/a	-	-
O-(Z-p-Hydroxycinnamoyl)-(x...	251.0561	C12H12O6	n/a	-	-
Anisindione	251.0717	C16H12O3	133809	HMDB0015257	-
Trimethoxyphenyl)-butanedione	251.0930	C13H16O5	n/a	-	-
Tetramethyl-(oxobutyl)-cycl...	251.1287	C14H20O4	n/a	-	-
Hydroxyepiacorone	251.1648	C15H24O3	n/a	-	-
C16:2	251.2017	C16H28O2	n/a	-	-
Acetylvanilalanine	252.0869	C12H15NO5	n/a	-	-
H-1,benzodioxol-yl)-hydroxy...	253.0729	C12H14O6	n/a	-	-
Methyl (2,dihydroxy-methylb...	253.1077	C13H18O5	n/a	-	-
Lubiminol	253.1810	C15H26O3	-	HMDB0029604	-
Glucosylarylamine	254.1038	C12H17NO5	n/a	-	-
HC Blue No.1	254.1140	C11H17N3O4	n/a	-	-
[(methyl-oxo-phenylbut-en-y...	255.0327	C11H12O5S	n/a	-	-
R,3S)-Piscidic acid	255.0505	C11H12O7	n/a	-	-
Dihydrodaidzein	255.0669	C15H12O4	75842	HMDB0005760	C22556
Acetoxy-IQa1	255.0881	C12H16O6	n/a	-	-
Xenognosin A	255.1016	C16H16O3	714392	HMDB0029539	C08731
Methoxy-(trimethoxyphenyl)-...	255.1241	C13H20O5	n/a	-	-
Nonyltetrahydro-oxo-furanca...	255.1601	C14H24O4	n/a	-	-
Ipomeatetrahydrofuran	255.1963	C15H28O3	172500	HMDB0040904	-
C16:0	255.2333	C16H32O2	15756	HMDB0000220	C00249
Glycerophosphocholine	256.0953	C8H20NO6P	16870	HMDB0000086	C00670
Hexenoylcarnitine	256.1555	C13H23NO4	-	HMDB0253155	-
Lauroylglycine	256.1928	C14H27NO3	74441	HMDB0013272	-
Glycero-phosphocholinea1	257.1025	C12H18O6	n/a	-	-
Linalyl benzoate	257.1543	C17H22O2	-	HMDB0030431	-
Tetradecanedioic acid	257.1756	C14H26O4	76308	HMDB0000872	C11002
Hydroxymyristic acid methyl...	257.2124	C15H30O3	n/a	-	-
Glucosamine sulfate	258.0287	C6H13NO8S	47977	HMDB0001514	C00329
Hexose Pa1	259.0224	C6H13O9P	n/a	-	-
Furanmethanol hexoside	259.0814	C11H16O7	n/a	-	-
Methasulfocarb	260.0061	C9H11NO4S2	n/a	-	-
Methoxyacetaminophen sulfate	260.0232	C9H11NO6S	n/a	-	-
Demeton-methylsulphon	261.0017	C6H15O5PS2	n/a	-	-
Dihydro-methoxy-[(methoxyph...	261.1127	C15H18O4	n/a	-	-
Phaseolic acid	261.1346	C12H22O6	-	HMDB0031897	-
Santalyl acetate	261.1855	C17H26O2	-	HMDB0032501	-
Dimethylthiambutene	262.0731	C14H17NS2	59781	HMDB0061719	-
Pentathiadecane dioxide	262.9357	C5H12O2S5	n/a	-	-
Dihydro-(methyl-pentenyl)-1...	263.0053	C10H16S4	n/a	-	-
Acetoxyeugenol acetate	263.0929	C14H16O5	n/a	-	-
Acetyl-formyl-methoxykynure...	263.1034	C13H16N2O4	n/a	-	-
CEHC	263.1293	C15H20O4	n/a	-	-
Oxo-dinor-phytodienoic acid	263.1658	C16H24O3	n/a	-	-
Cedryl acetate	263.2013	C17H28O2	-	HMDB0035910	-
Isoniazid ketoglutaric acid	264.0616	C11H11N3O5	n/a	-	-
Ungeremine	265.0749	C16H12NO3	n/a	-	-
Methoxy-methylisoflavone	265.0864	C17H14O3	n/a	-	-
Nevirapinea1	265.1085	C14H18O5	n/a	-	-
Methyl 2E,hexadecadienoate	265.2170	C17H30O2	n/a	-	-
Octadecenal	265.2546	C18H34O	n/a	-	-
Coumesterol	267.0310	C15H8O5	3908	HMDB0002326	C10205
Formononetina1	267.0659	C8H16N2O6S	n/a	-	-
Disperse Blue 1	267.0881	C14H12N4O2	n/a	-	-
Eugenyl benzoate	267.1026	C17H16O3	-	HMDB0032056	-
Ripazepama1	267.1245	C14H20O5	n/a	-	-
Cyclohexaneundecanoic acid	267.2328	C17H32O2	-	HMDB0030997	C12100
Stearaldehyde	267.2685	C18H36O	17034	HMDB0002384	C01838
Acetyl-glutamyl phosphate	268.0225	C7H12NO8P	n/a	-	-
Methoxyphenyl)-methyl-pyrid...	268.0979	C16H15NO3	n/a	-	-
Apigenin	269.0467	C15H10O5	18388	HMDB0002124	C01477
Nonulose	269.0867	C9H18O9	n/a	-	-
Ethylene brassylate	269.1758	C15H26O4	-	HMDB0040459	-
Oxohexadecanoic acid	269.2120	C16H30O3	n/a	-	-
Tridecanoylglycine	270.2081	C15H29NO3	74437	HMDB0013317	-
Hydroxyphenyl)-gamma-valero...	271.0274	C11H12O6S	n/a	-	-
Fukiic acid	271.0465	C11H12O8	166659	HMDB0029496	-
Naringenin	271.0619	C15H12O5	17846	HMDB0002670	C00509
Arbutin	271.0820	C12H16O7	18305	HMDB0029943	C06186
C-aglycone	271.0979	C16H16O4	n/a	-	-
Verimol F	271.1342	C17H20O3	n/a	-	-
Bisabolene-tetrol	271.1919	C15H28O4	n/a	-	-
Hydroxy hexadecanoic acid	271.2284	C16H32O3	n/a	-	-
Disulfoton	273.0209	C8H19O2PS3	38661	HMDB0251486	C18400
Phloretin	273.0761	C15H14O5	17276	HMDB0003306	C00774
Dikegulac	273.0969	C12H18O7	n/a	-	-
Norophthalmic acid	274.1051	C10H17N3O6	143251	HMDB0005766	-
Epsilon-(gamma-Glutamyl)-ly...	274.1403	C11H21N3O5	n/a	-	-
Dihydropiperlonguminine	274.1454	C16H21NO3	n/a	-	-
Hydroxyhexanoycarnitine	274.1668	C13H25NO5	-	HMDB0013131	-
Acetylpterosin C	275.1298	C16H20O4	168987	HMDB0030764	-
Norandrosterone	275.2012	C18H28O2	n/a	-	-
Glutaminylmethionine	276.1017	C10H19N3O4S	-	HMDB0028803	-
C-Methyl-erythritol cycloPP	276.9889	C5H12O9P2	n/a	-	-
H,8H,9H-furo[h]chromen-one	277.0719	C14H14O6	n/a	-	-
Glutamylmethionine	277.0874	C10H18N2O5S	73507	HMDB0028825	-
Hydroxy-methoxydihydrokawain	277.1072	C15H18O5	n/a	-	-
Oxamniquine	278.1500	C14H21N3O3	78416	HMDB0015228	C07341
Sulfametopyrazine	279.0552	C11H12N4O3S	1049710	HMDB0014802	C12616
Hydroxyphenylacetylglutamic...	280.0829	C13H15NO6	n/a	-	-
Methylcoumestrol	281.0452	C16H10O5	n/a	-	-
[dihydroxy-(hydroxy-methylb...	281.1019	C14H18O6	n/a	-	-
Oxabicyclo[3.1.0]hexane-und...	281.2122	C17H30O3	n/a	-	-
Fosthiazate	282.0397	C9H18NO3PS2	n/a	-	-
Hydroxymetoprolol	282.1707	C15H25NO4	n/a	-	-
Cresol glucuronide	283.0834	C13H16O7	87986	HMDB0011686	-
Phenylethyl glucopyranoside	283.1183	C14H20O6	n/a	-	-
dihydroartemisinin	283.1551	C15H24O5	-	HMDB0060593	-
S)-Juvenile hormone III diol	283.1916	C16H28O4	n/a	-	-
Avocadyne	283.2280	C17H32O3	-	HMDB0035473	-
trihydroxy-(methoxyphenyl)-...	284.0691	C16H13O5	n/a	-	-
Arborinine	284.0931	C16H15NO4	375808	HMDB0030177	C10643
Isothipendyl	284.1230	C16H19N3S	-	HMDB0015692	-
Methoxyfukiic acid	285.0606	C12H14O8	n/a	-	-
Hydroxyestrone	285.1487	C18H22O3	n/a	-	-
Hexadecanedioic acid	285.2078	C16H30O4	73722	HMDB0000672	C19615
Avocadene	285.2433	C17H34O3	582699	HMDB0031042	-
Tenofovira1	286.0720	C9H14N5O4P	n/a	-	-
Tetraphyllin B	286.0925	C12H17NO7	-	HMDB0029914	-
Eriodictyol	287.0557	C15H12O6	28412	HMDB0005810	C05631
Methitural	287.0895	C12H20N2O2S2	n/a	-	-
Hydroxypentadecanedioic acid	287.1859	C15H28O5	n/a	-	-
Dihydroxyhexadecanoic acid	287.2233	C16H32O4	n/a	-	-
Benzoyl ecgonine	288.1247	C16H19NO4	41001	HMDB0041836	C10847
Bis(methyl-furanyl)tetrasul...	288.9488	C10H10O2S4	n/a	-	-
Oxydisulfoton	289.0157	C8H19O3PS3	n/a	-	-
Epicatechin	289.0721	C15H14O6	90	HMDB0001871	C09727
Dihydro-methoxyyangonin	289.1071	C16H18O5	n/a	-	-
Dehydrogingerdione	289.1438	C17H22O4	-	HMDB0302134	-
Octen-yl hexoside	289.1649	C14H26O6	n/a	-	-
Hawkinsina1	290.0713	C11H17NO6S	n/a	-	-
Anhydro-acetylneuraminic acid	290.0887	C11H17NO8	n/a	-	-
Edulinine	290.1397	C16H21NO4	-	HMDB0030178	-
Cordeauxione	291.0519	C14H12O7	-	HMDB0034310	-
Edetic Acid	291.0837	C10H16N2O8	42191	HMDB0015109	C00284
S,4S)-Monatin	291.0989	C14H16N2O5	n/a	-	-
SB 206553	291.1249	C17H16N4O	n/a	-	-
Deoxy-ribose bisP	292.9831	C5H12O10P2	n/a	-	-
(hydroxy-1,diphenylethoxy)s...	293.0482	C14H14O5S	n/a	-	-
Cyclic dehypoxanthine futal...	293.0672	C14H14O7	n/a	-	-
Alosetron	293.1419	C17H18N4O	253342	HMDB0015104	-
Aminoimidazole ribonucleotide	294.0503	C8H14N3O7P	138560	HMDB0001235	C03373
Hydroxyheptaphylline	294.1144	C18H17NO3	n/a	-	-
E)-(oxo-1H-isochromen-yl)bu...	295.0291	C13H12O6S	n/a	-	-
13hydroxyoctadecadienoic acid	295.2279	C18H32O3	n/a	-	-
Nonadecenoic acid	295.2637	C19H36O2	-	HMDB0302287	-
Thalassemine	297.0959	C8H19N4O6P	n/a	-	-
Oxooctadecanoic acid	297.2431	C18H34O3	n/a	-	-
C19:0	297.2803	C19H38O2	39246	HMDB0000772	C16535
Myrigalone E	299.1295	C18H20O4	-	HMDB0030755	-
Retinoic acid	299.2013	C20H28O2	15367	HMDB0001852	C00777
MG(0:0/14:1/0:0)	299.2235	C17H32O4	n/a	-	-
Hydroxy-Octadecanoic acid	299.2588	C18H36O3	n/a	-	-
Prolyl-Tryptophan	300.1350	C16H19N3O3	-	HMDB0029028	-
Ac)Lys-Ala	300.1569	C13H23N3O5	n/a	-	-
Dimethylheptanoyl carnitine	300.2182	C16H31NO4	n/a	-	-
Sphinganine	300.2909	C18H39NO2	16566	HMDB0000269	C00836
Garcinia lactone dibutyl ester	301.1282	C14H22O7	167937	HMDB0040462	-
Glycerol tributanoate	301.1658	C15H26O6	35020	HMDB0031094	C13870
Hydroxyhexadecanedioic acid	301.2023	C16H30O5	n/a	-	-
Eicosapentaenoic acid	301.2174	C20H30O2	28364	HMDB0001999	C06428
Aluminum acetoacetate	302.0649	(C4H5O3)3.	n/a	-	-
Pratenol B	303.0515	C15H12O7	-	HMDB0040631	-
[(phenylcyclobutyl)phenyl]o...	303.0687	C16H16O4S	n/a	-	-
Propaphos	303.0818	C13H21O4PS	38858	HMDB0256818	C19013
HPEA-EDA	303.1231	C17H20O5	n/a	-	-
Polyprenyl-methyl-hydroxy-m...	303.1609	C18H24O4	n/a	-	-
Arachidonic acid	303.2331	C20H32O2	15843	HMDB0001043	C00219
Cepharadione A	304.0623	C18H11NO4	-	HMDB0034364	-
Phenyl phospho-ribofuranoside	305.0443	C11H15O8P	n/a	-	-
O-Methylgrandmarin	305.1026	C16H18O6	n/a	-	-
Naematolone	305.1397	C17H22O5	172533	HMDB0035781	-
Glucopyranosyloxy)-octanone	305.1597	C14H26O7	n/a	-	-
Eicosatrienoic acid	305.2478	C20H34O2	53486	HMDB0002925	C03242
dCMP	306.0505	C9H14N3O7P	15918	HMDB0001202	C00239
Glutathione	306.0769	C10H17N3O6S	16856	HMDB0000125	C00051
N,diethylpropanamide	306.1090	C14H17N3O5	n/a	-	-
Resveratrol sulfate	307.0275	C14H12O6S	n/a	-	-
dUMP	307.0332	C9H13N2O8P	17622	HMDB0001409	C00365
H-chromen-yl)-phenylpropan-one	307.1341	C20H20O3	n/a	-	-
Eicosadienoic acid	307.2642	C20H36O2	73731	HMDB0005060	C16525
Acetylneuraminic acid	308.0988	C11H19NO9	45744	HMDB0000230	C19910
Hexadecanoylpyrrolidine	308.2958	C20H39NO	-	HMDB0032740	-
Ribose bisP	308.9790	C5H12O11P2	n/a	-	-
Dehydrosalvipisone	309.1508	C20H22O3	n/a	-	-
Ep-KODE	309.2069	C18H30O4	n/a	-	-
Hydroxysterculic acid	309.2430	C19H34O3	n/a	-	-
C20:1	309.2799	C20H38O2	n/a	-	-
Undecylbenzenesulfonic acid	311.1689	C17H28O3S	141538	HMDB0032549	-
Hydroperoxylinoleic acid	311.2228	C18H32O4	n/a	-	-
D,7D,11Phytanic acid	311.2956	C20H40O2	n/a	-	-
Palmitoylglycine	312.2543	C18H35NO3	39540	HMDB0013034	-
Malaoxon	313.0513	C10H19O7PS	141477	HMDB0060627	C07498
Vanilloside	313.0938	C14H18O8	168797	HMDB0029664	-
Menadiol dibutyrate	313.1455	C19H22O4	-	HMDB0032726	-
Carveol hexoside	313.1657	C16H26O6	n/a	-	-
Octadecanedioic acid	313.2385	C18H34O4	133086	HMDB0000782	-
hydroxypristanic acid	313.2752	C19H38O3	n/a	-	-
Rosinidin	314.0788	C17H15O6	8893	-	C08729
Citpressine II	314.1032	C17H17NO5	172546	HMDB0029324	-
Clavamycin D	314.1358	C13H21N3O6	n/a	-	-
Isorhamnetin	315.0505	C16H12O7	6052	HMDB0002655	C10084
Verimol B	315.1243	C18H20O5	175066	HMDB0038323	-
Neryl hexoside	315.1814	C16H28O6	n/a	-	-
MG(0:0/15:0/0:0)	315.2542	C18H36O4	-	HMDB0011532	-
Phosmet	315.9879	C11H12NO4PS2	38786	HMDB0256463	C18756
Deoxy-hexosyl)histidine	316.1155	C12H19N3O7	n/a	-	-
Isoleucyl-Tryptophan	316.1668	C17H23N3O3	-	HMDB0028918	-
Nateglinide	316.1910	C19H27NO3	146727	HMDB0014869	C12508
hydroxynonanoyl carnitine	316.2130	C16H31NO5	n/a	-	-
Phytosphingosine	316.2855	C18H39NO3	46961	HMDB0004610	C12144
H-1,benzodioxol-yl)prop-en-...	317.0334	C12H14O8S	n/a	-	-
Tamarixetin	317.0659	C16H14O7	542812	HMDB0002937	C10188
S,E)-Zearalenone	317.1396	C18H22O5	n/a	-	-
Eseramine	317.1610	C16H22N4O3	n/a	-	-
Hydroxyemedastinea1	317.1973	C16H30O6	n/a	-	-
Leukotriene A4	317.2130	C20H30O3	15651	HMDB0001337	C00909
Citryl-glutamic acid	320.0616	C11H15NO10	n/a	-	-
CMP	322.0448	C9H14N3O8P	17361	HMDB0000095	C00055
UMP	323.0287	C9H13N2O9P	16695	HMDB0000288	C00105
Grevilline A	323.0565	C18H12O6	-	HMDB0029535	-
Mahaleboside	323.0784	C15H16O8	175126	HMDB0032984	-
AF Toxin II	323.1502	C17H24O6	-	HMDB0033504	-
Epoxymenaquinone	323.1647	C21H24O3	n/a	-	-
C21:1	323.2958	C21H40O2	n/a	-	-
Dihyroxy-1H-indole glucuron...	324.0732	C14H15NO8	n/a	-	-
Oleoylethanolamine	324.2917	C20H39NO2	71466	HMDB0002088	-
dihydroxy-oxo-dioxatetracyc...	325.0361	C17H10O7	n/a	-	-
Dihydroxy-methoxy-prenylxan...	325.1085	C19H18O5	n/a	-	-
Dodecylbenzenesulfonic acid	325.1843	C18H30O3S	149774	HMDB0031031	-
Homophytanic acid	325.3111	C21H42O2	-	HMDB0002337	-
CI Acid Orange 20	326.0359	C16H11N2O4S.	n/a	-	-
Acetaminophen glucuronide	326.0873	C14H17NO8	32636	HMDB0010316	-
Deoxy-hexosyl)phenylalanine	326.1256	C15H21NO7	n/a	-	-
Methylgeranyl PP	327.0780	C11H22O7P2	n/a	-	-
Ethylvanillin hexoside	327.1083	C15H20O8	n/a	-	-
Acutilobin	327.1234	C19H20O5	141534	HMDB0040670	-
hydroxyolanzapine	327.1282	C17H20N4OS	n/a	-	-
Cymorcin monohexoside	327.1450	C16H24O7	n/a	-	-
Steryl sulfate	327.1632	C17H28O4S	n/a	-	-
Corchorifatty acid F	327.2175	C18H32O5	91218	HMDB0035919	-
C22:6	327.2328	C22H32O2	n/a	-	-
MG(0:0/16:1/0:0)	327.2544	C19H36O4	n/a	-	-
Valclavam	328.1507	C14H23N3O6	n/a	-	-
Hydroxyethylpromethazine	328.1617	C19H25N2OS	-	HMDB0240229	-
Blighinone	329.0303	C16H10O8	175199	HMDB0030643	-
Dimethylquercetin	329.0673	C17H14O7	n/a	-	-
Gibberellin A105	329.1396	C19H22O5	-	HMDB0031076	-
Picrocrocin	329.1605	C16H26O7	-	HMDB0005796	C17055
Carnosol	329.1759	C20H26O4	468005	HMDB0002121	C09069
TriHOME	329.2339	C18H34O5	n/a	-	-
C22:5	329.2483	C22H34O2	n/a	-	-
Piroxicam	330.0549	C15H13N3O4S	8249	HMDB0014694	C01608
Unshuoside A	331.1755	C16H28O7	168973	HMDB0029784	-
Carnosic acid	331.1917	C20H28O4	-	HMDB0002358	-
Trihydroxystearic acid	331.2497	C18H36O5	-	HMDB0302290	-
C22:4	331.2641	C22H36O2	n/a	-	-
Primidolol	332.1622	C17H23N3O4	n/a	-	-
H-chromen-yl)phenyl]oxidane...	333.0066	C15H10O7S	n/a	-	-
Glycero-phospho)-1myo-inositol	333.0594	C9H19O11P	n/a	-	-
Amino-dihydro-oxo-isoxazole...	333.0930	C12H18N2O9	n/a	-	-
Methylpropanoyloxy)-(methyl...	333.1704	C19H26O5	n/a	-	-
Keto-dihydroprostaglandin A2	333.2065	C20H30O4	n/a	-	-
Docosatrienoic acid	333.2799	C22H38O2	77807	HMDB0002823	-
Aspartylglycosamine	334.1247	C12H21N3O8	17261	HMDB0000489	C04540
Pipericine	334.3116	C22H41NO	-	HMDB0031678	-
Nitrosoglutathione	335.0670	C10H16N4O7S	50091	HMDB0004645	-
Hydroxymugineic acid	335.1104	C12H20N2O9	n/a	-	-
Docosadienoate (22:2n6)	335.2958	C22H40O2	75117	HMDB0061714	C16533
H-benzopyran-olate	337.0389	C15H14O7S	n/a	-	-
Nicotine glucuronide	337.1407	C16H22N2O6	63860	HMDB0001272	-
Lisuridea1	337.2030	C19H30O5	n/a	-	-
DiHETrE	337.2372	C20H34O4	n/a	-	-
Erucic acid	337.3110	C22H42O2	28792	HMDB0002068	C08316
Deacetylneosolaniol	339.1441	C17H24O7	n/a	-	-
Plastoquinone 3	339.2330	C23H32O2	172563	HMDB0033786	-
C22:0	339.3268	C22H44O2	n/a	-	-
N(Methoxy-methylbenzyl)-n((...	340.1662	C19H23N3O3	n/a	-	-
H-benzodioxole-carbonyloxy)...	341.0518	C14H14O10	n/a	-	-
Disaccharide	341.1089	C12H22O11	n/a	-	-
Austrobailignan 7	341.1393	C20H22O5	-	HMDB0030859	-
Jasmolone hexoside	341.1603	C17H26O7	n/a	-	-
Piperolein B	342.2067	C21H29NO3	534866	HMDB0030340	-
Anethole glycol hexoside	343.1392	C16H24O8	n/a	-	-
R,3S,4S,6R)-Dihydroxyfencho...	345.1552	C16H26O8	n/a	-	-
Methyl-[10]-shogaol	345.2433	C22H34O3	172570	HMDB0031465	-
AMP	346.0558	C10H14N5O7P	16027	HMDB0000045	C00020
H-chromen-one	347.0420	C16H12O9	n/a	-	-
Gibberellin A60	347.1499	C19H24O6	141990	HMDB0034988	-
Callytriol C	347.1654	C23H24O3	n/a	-	-
Hydroxy-pentadecylbenzoic acid	347.2589	C22H36O3	n/a	-	-
Anisessine	348.1354	C20H19N3O3	n/a	-	-
Coutaric acid	348.1926	C18H27N3O4	-	HMDB0029225	C01327
Dihomo-gamma-Linolenoyl eth...	348.2905	C22H39NO2	n/a	-	-
PGE2	349.2017	C20H30O5	15551	HMDB0001220	C00584
Tetrahydrocorticosterone	349.2378	C21H34O4	-	HMDB0000268	C05476
Pirenzepinea1	350.1631	C19H21N5O2	n/a	-	-
Chlorogenoquinone	351.0714	C16H16O9	168246	HMDB0029383	-
Gingerdiol diacetate	351.1813	C19H28O6	n/a	-	-
MG(0:0/18:3/0:0)	351.2530	C21H36O4	n/a	-	-
Hydroxybenzyl isothiocyanat...	352.0857	C16H19NO6S	n/a	-	-
Biflorin	353.0876	C16H18O9	563990	HMDB0002336	C08996
Propofol glucuronide	353.1604	C18H26O7	-	HMDB0060933	-
Oxo-docosanoate	353.3060	C22H42O3	n/a	-	-
C23:0	353.3421	C23H46O2	n/a	-	-
Feruloylhexose	355.1027	C16H20O9	n/a	-	-
Xanthoxylol	355.1189	C20H20O6	172581	HMDB0029459	-
Hydroxy-phenylpentanoic aci...	355.1406	C17H24O8	n/a	-	-
Pibutidinea1	355.1785	C19H24N4O3	n/a	-	-
hydroxydocosanoic acid	355.3218	C22H44O3	n/a	-	-
Cyclodopa hexoside	356.0987	C15H19NO9	n/a	-	-
Uplandicine	356.1717	C17H27NO7	n/a	-	-
Miraxanthin-I	357.0759	C14H18N2O7S	n/a	-	-
Dihydro PGF-1a	357.2642	C20H38O5	n/a	-	-
C24:5	357.2804	C24H38O2	n/a	-	-
Sinigrin	358.0275	C10H17NO9S2	9162	HMDB0034070	C08427
Isopenicillin N	358.1072	C14H21N3O6S		HMDB0253667	C05557
Dimethoxyphenyl)-ethanediol...	359.1345	C16H24O9	n/a	-	-
C24:4	359.2954	C24H40O2	n/a	-	-
De-O-methylsimmondsin	360.1303	C15H23NO9	172591	HMDB0041208	-
DiHDPA	361.2372	C22H34O4	N/A	-	-
C24:3	361.3115	C24H42O2	N/A	-	-
GMP	362.0506	C10H14N5O8P	17345	HMDB0001397	C00144
Gibberellin A55	363.1438	C19H24O7	-	HMDB0033420	-
Dimethyl-propenyl)-(methyl-...	363.1972	C24H28O3	N/A	-	-
Arachidonyl Glycerol ether	363.2901	C23H40O3	N/A	-	-
Linoleoyl GABA	364.2855	C22H39NO3	N/A	-	-
Bufotenine O-hexoside	365.1723	C18H26N2O6	N/A	-	-
Carboxy-leukotriene B4	365.1971	C20H30O6	N/A	-	-
Fortimicin KK1	365.2047	C14H30N4O7	86409	-	C17974
C24:1	365.3425	C24H46O2	N/A	-	-
Oleoyl GABA	366.3011	C22H41NO3	N/A	-	-
{[trihydroxy-(2,4,trihydrox...	367.0340	C12H16O11S	N/A	-	-
Dehydroepiandrosterone sulfate	367.1585	C19H28O5S	16814	HMDB0001032	C04555
Hydroxy-PGE2	367.2135	C20H32O6	N/A	-	-
Octadecyl fumarate	367.2847	C22H40O4	-	HMDB0038073	-
C24:0	367.3580	C24H48O2	N/A	-	-
Epanolol	368.1617	C20H23N3O4	-	HMDB0251835	C11773
Trimetrexate	368.1735	C19H23N5O3	119101	HMDB0015288	C11154
Stearoyl GABA	368.3171	C22H43NO3	N/A	-	-
Androsterone sulfate	369.1739	C19H30O5S	83037	HMDB0002759	-
Aspidodasycarpine	369.1822	C21H26N2O4	N/A	-	-
Deoxyoleandolide	371.2443	C20H36O6	N/A	-	-
DG(8:0/10:0/0:0)	371.2794	C21H40O5	-	HMDB0092901	-
Deferasirox	372.1001	C21H15N3O4	49005	HMDB0015547	-
Pipereicosalidine	372.3279	C25H43NO	174961	HMDB0039738	-
Deoxyloganin	373.1499	C17H26O9	-	HMDB0251007	C06071
Epi-isocucurbic acid hexoside	373.1858	C18H30O8	N/A	-	-
Tsangane L hexoside	373.2223	C19H34O7	N/A	-	-
Hydroxy-cholenoic acid	373.2754	C24H38O3	N/A	-	-
Eicosadienoyl)piperidine	374.3421	C25H45NO	N/A	-	-
Carinol	377.1596	C20H26O7	172610	HMDB0030657	-
Pentosidine	377.1936	C17H26N6O4	59951	HMDB0003933	-
Annoglabasin F	377.2335	C22H34O5	-	HMDB0035508	-
Methicillin sodium	378.0891	C17H19N2O6S.	6827	HMDB0015541	C07177
Sphingosine phosphate	378.2410	C18H38NO5P	N/A	-	-
Diphyllin	379.0832	C21H16O7	28177	HMDB0001889	C07130
Methylglycyrol	379.1197	C22H20O6	N/A	-	-
Methyl-butenyl apiosyl-(>6)...	379.1622	C16H28O10	N/A	-	-
Bisnorcholic acid	379.2480	C22H36O5	145219	HMDB0002082	-
MG(0:0/20:3/0:0)	379.2846	C23H40O4	-	HMDB0011547	-
C25:1	379.3582	C25H48O2	N/A	-	-
Methyl-(methylpropyl)benzen...	381.1544	C19H26O8	N/A	-	-
Misoprostol	381.2638	C22H38O5	122391	HMDB0015064	-
C25:0	381.3734	C25H50O2	N/A	-	-
Ceftizoxime	382.0278	C13H13N5O5S2	553473	HMDB0015427	C06890
Brinzolamide	382.0573	C12H21N3O5S3	3176	HMDB0015325	C07760
Eleutheroside B1	383.0976	C17H20O10	172617	HMDB0029549	-
trihydroxy-{[(methoxyphenyl...	383.1711	C19H28O8	N/A	-	-
MG(0:0/20:1/0:0)	383.3164	C23H44O4	-	HMDB0011543	-
Cerebronic acid	383.3535	C24H48O3	61302	HMDB0039540	C17873
Glaucamine	384.1460	C21H23NO6	-	HMDB0029363	-
Glycerol trihexanoate	385.2595	C21H38O6	77386	HMDB0031125	-
dCDP	386.0165	C9H15N3O10P2	28846	HMDB0001245	C00705
Cyclomammein	387.1813	C22H28O6	175940	HMDB0030711	-
Epoxy-7E-megastigmene-9e-di...	387.2019	C19H32O8	N/A	-	-
Digoxigenin	387.2187	C23H32O5	-	HMDB0060731	-
Dimethyl galloylgalactarate	389.0734	C15H18O12	N/A	-	-
Proacaciberin	390.1410	C16H25NO10	N/A	-	-
Viguiestenin	391.1759	C21H28O7	N/A	-	-
CPA(16:0/0:0)	391.2257	C19H37O6P	-	HMDB0007003	-
Dihydroxy-cholanoic acid	391.2851	C24H40O4	N/A	-	-
Pteroside Z	393.1926	C21H30O7	-	HMDB0032587	-
C26:1	393.3736	C26H50O2	N/A	-	-
Zwittermicin A	395.1886	C13H28N6O8	N/A	-	-
Isopetasoside	395.2069	C21H32O7	168841	HMDB0029622	-
Hyaluronic acid	396.1142	(C14H21NO11)nH2O	150712	HMDB0002061	C00518
Behenoylglycine	396.3479	C24H47NO3	87764	HMDB0013219	-
Caulerpin	397.1198	C24H18N2O4	80923	-	-
Methyl dihydroxy-prenylbenz...	397.1508	C19H26O9	N/A	-	-
365260	397.1680	C24H22N4O2	N/A	-	-
Lauroyl peroxide	397.3319	C24H46O4	-	HMDB0253994	C19438
Hydroxy-2methyltetracosanoi...	397.3681	C25H50O3	N/A	-	-
Corchoionoside B	399.1651	C19H28O9	168749	HMDB0030975	-
Z-Phe-Phe-CHN2	399.2192	C25H28N4O	N/A	-	-
[dihydroxy-(sulfooxy)benzoy...	400.9810	C14H10O12S	N/A	-	-
Clusin	401.1606	C22H26O7	582747	HMDB0029542	-
Hydroxycholesterol	401.3424	C27H46O2	N/A	-	-
Methylpentyl hexosinolate	402.0893	C13H25NO9S2	N/A	-	-
Sulfinpyrazone	403.1131	C23H20N2O3S	9342	HMDB0015269	C07317
Pisumionoside	403.1964	C19H32O9	-	HMDB0039947	-
Dihydroxy-cholestane	403.3576	C27H48O2	N/A	-	-
Acetonyldihydrochelerythrine	404.1497	C24H23NO5	N/A	-	-
Imidapril	404.1825	C20H27N3O6	135654	HMDB0041907	-
Lisinopril	404.2184	C21H31N3O5	43755	HMDB0001938	D00362
Dimethyl-pentyl-furanpentad...	405.3366	C26H46O3	N/A	-	-
H-furo[h]chromen-yl}oxy)oxa...	407.0621	C18H16O11	N/A	-	-
H-chromen-yl]oxy}oxane-carb...	407.0992	C19H20O10	N/A	-	-
Bakkenolide D	407.1532	C21H28O6S	168811	HMDB0034998	-
Cholate	407.2792	C24H40O5	16359	HMDB0000619	C00695
C28:8	407.2954	C28H40O2	N/A	-	-
Heptacosanedione	407.3894	C27H52O2	N/A	-	-
Biflaviolin	409.0208	C20H10O10	N/A	-	-
Triacetoxycoumestan	409.0554	C21H14O9	N/A	-	-
trihydroxy-{[(methoxy-benzo...	409.0782	C18H18O11	N/A	-	-
Pteroside A	409.1857	C21H30O8	-	HMDB0030758	-
Gamma-Tocotrienol	409.3119	C28H42O2	33277	HMDB0012958	C14155
MG(0:0/22:2/0:0)	409.3326	C25H46O4	-	HMDB0011553	-
C27:0	409.4047	C27H54O2	78710	HMDB0002063	-
Oxidized Oplophorus luciferin	410.1502	C25H21N3O3	N/A	-	-
{dimethoxy-[oxo-(trihydroxy...	411.0389	C17H16O10S	N/A	-	-
Methylpicraquassioside A	411.1289	C19H24O10	168202	HMDB0038347	-
Adapalene	411.1974	C28H28O3	31174	HMDB0014355	-
desalkyl delavirdine	413.1404	C19H22N6O3S	N/A	-	-
Garcinone C	413.1596	C23H26O7	-	HMDB0029511	-
Eplerenone	413.1971	C24H30O6	31547	HMDB0014838	C12512
H-benzopyran-yl)phenyl]oxid...	414.9976	C15H12O12S	N/A	-	-
Dihydroxyvitamin D	415.3213	C27H44O3	N/A	-	-
Gamma-Tocopherol	415.3578	C28H48O2	18185	HMDB0001492	C02483
Batrachotoxinin A	416.2437	C24H35NO5	N/A	-	-
Lirioresinol A	417.1549	C22H26O8	49211	HMDB0038928	-
Hydroxy-mercaptoandrost-en-...	417.2109	C24H34O4S	N/A	-	-
Naphthyl dipeptide	417.2304	C25H30N4O2	N/A	-	-
Dihydroxycholesterol	417.3362	C27H46O3	N/A	-	-
Secogalioside	419.1198	C17H24O12	N/A	-	-
CPA(18:0/0:0)	419.2557	C21H41O6P	-	HMDB0007004	-
Ethylchenodeoxycholic acid	419.3160	C26H44O4	N/A	-	-
Cholestane-triol	419.3519	C27H48O3	N/A	-	-
Topotecan	420.1568	C23H23N3O5	63632	HMDB0015164	C11158
Methylacetophenone	421.2254	C20H38O7S	N/A	-	-
C28:1	421.4061	C28H54O2	N/A	-	-
LysoPE(0:0/14:1)	422.2304	C19H38NO7P	-	HMDB0011471	-
H,8H,9H-furo[2,h]chromen-yl...	423.0765	C19H20O9S	N/A	-	-
Azimsulfuron	423.0945	C13H16N10O5S	81746	HMDB0033145	C18438
Hydroxymelatonin glucuronide	423.1403	C19H24N2O9	N/A	-	-
LysoPA(18:0e/0:0)	423.2887	C21H45O6P	-	HMDB0011144	-
C28:0	423.4204	C28H56O2	N/A	-	-
Cysteineglutathione disulfide	425.0802	C13H22N4O8S2	143243	HMDB0000656	-
Chitobiose	425.1422	C15H26N2O12	-	HMDB0003556	C01674
Hydroxy-gamma-tocotrienol	425.3057	C28H42O3	N/A	-	-
ADP	426.0217	C10H15N5O10P2	16761	HMDB0001341	C00008
{[dioxo-(trihydroxy-methoxy...	427.0340	C17H16O11S	N/A	-	-
[(carboxymethyl)-dihydroxy-...	427.1252	C19H24O11	N/A	-	-
Sorbitan oleate	427.3072	C24H44O6	-	HMDB0029886	-
Cholesteryl acetate	427.3579	C29H48O2	78242	HMDB0003822	C02530
Cubebinone	429.1546	C23H26O8	-	HMDB0033259	-
Mammea E/BB	429.1914	C24H30O7	1156173	HMDB0030814	-
MG(24:6/0:0/0:0)	429.3000	C27H42O4	-	HMDB0011590	-
Carboxy-5cholesta-en-3ol	429.3366	C28H46O3	N/A	-	-
Tocopherol	429.3736	C29H50O2	N/A	-	-
Hydroxycalcitriol	431.3161	C27H44O4	N/A	-	-
Dextrorphan O-glucuronide	432.2033	C23H31NO7	32645	HMDB0010341	-
Cycloartocarpin	433.1650	C26H26O6	-	HMDB0041166	-
Glucoraphenin	434.0250	C12H21NO10S3	-	HMDB0303665	-
LysoPA(0:0/18:1)	435.2514	C21H41O7P	N/A	-	-
Cholestane-tetrol	435.3480	C27H48O4	N/A	-	-
16:0e/0:0)	436.2829	C21H44NO6P	N/A	-	-
Kanzonol T	437.1596	C25H26O7	171677	HMDB0029904	-
Hydroxy-trimethoxy-diprenyl...	437.1965	C26H30O6	N/A	-	-
Marchantin A	439.1556	C28H24O5	N/A	-	-
Momordol	439.3426	C26H48O5	172680	HMDB0029804	-
MG(0:0/24:1/0:0)	439.3787	C27H52O4	N/A	-	-
Leukotriene E3	440.2474	C23H39NO5S	74018	HMDB0002355	-
DG(8:0/15:0/0:0)	441.3575	C26H50O5	-	HMDB0092917	-
H-benzopyran-one	443.1703	C24H28O8	N/A	-	-
Paederoside	445.0814	C18H22O11S	N/A	-	-
Estrone glucuronide	445.1872	C24H30O8	28919	HMDB0004483	C11133
Carboxy-gamma-tocopherol	445.3318	C28H46O4	N/A	-	-
Acetyl-leu-leu-tyr	448.2442	C23H35N3O6	N/A	-	-
Deoxycholic acid glycine co...	448.3065	C26H43NO5	N/A	-	-
Miscanthoside	449.1085	C21H22O11	-	HMDB0029544	-
Deoxocastasterone	449.3629	C28H50O4	N/A	-	-
Phenylbutyl hexosinolate	450.0904	C17H25NO9S2	N/A	-	-
Cholestane-23S,pentol	451.3435	C27H48O5	N/A	-	-
C30:0	451.4516	C30H60O2	N/A	-	-
LysoPE(0:0/16:0)	452.2779	C21H44NO7P	131743	HMDB0011473	-
Cefazolin	453.0228	C14H14N8O4S3	474053	HMDB0015422	C06880
Methyl cellulose	453.2347	C20H38O11	-	HMDB0029925	-
Norcholestanehexol	453.3216	C26H46O6	N/A	-	-
Dehydrooxytetracycline	457.1247	C22H22N2O9	N/A	-	-
Lyso-arachidonoyl-phosphati...	457.2356	C23H39O7P	N/A	-	-
Acetylpicropolin	459.1651	C24H28O9	N/A	-	-
Z,11Z,eicosatrienoyl)-glyce...	459.2513	C23H41O7P	N/A	-	-
Neryl rhamnosyl-hexoside	461.2397	C22H38O10	N/A	-	-
Deoxohomodolichosterone	461.3629	C29H50O4	N/A	-	-
Dihydroisomorphine-glucuronide	462.1774	C23H29NO9	N/A	-	-
PSF-A	463.1603	C23H28O10	-	HMDB0034608	-
(eicosenoyl)-glycero-phosphate	463.2824	C23H45O7P	N/A	-	-
Agnuside	465.1403	C22H26O11	-	HMDB0036561	-
Cholesterol sulfate	465.3042	C27H46O4S	41321	HMDB0000653	C18043
Hydroxy-castasterone	465.3579	C28H50O5	N/A	-	-
C31:0	465.4677	C31H62O2	N/A	-	-
Delsoline	466.2822	C25H41NO7	N/A	-	-
Androstanediol glucuronide	467.2640	C25H40O8	N/A	-	-
Scymnol	467.3373	C27H48O6	-	HMDB0258186	-
Hydroxyethyl)thiamine PP	468.0642	C14H23N4O8P2S	N/A	-	-
Plumieride	469.1358	C21H26O12	N/A	-	-
Ceanothine C	469.2824	C26H38N4O4	171986	HMDB0029340	-
Chenodeoxycholic acid sulfate	471.2423	C24H40O7S	-	HMDB0002522	-
H-benzopyran-yl)oxy]oxane-c...	473.1458	C24H26O10	N/A	-	-
LysoPE(0:0/18:3)	474.2627	C23H42NO7P	-	HMDB0011478	-
Hydrocortamate	474.2856	C27H41NO6	50851	HMDB0014907	-
Panaxatriol	475.3782	C30H52O4	-	HMDB0038244	-
LysoPE(0:0/18:2)	476.2778	C23H44NO7P	76090	HMDB0011477	-
Gentamicin	476.3084	C21H43N5O7	17833	HMDB0014936	C00505
LysoPE(0:0/18:1)	478.2935	C23H46NO7P	-	HMDB0011475	-
Demethylpradinone II	479.0617	C24H16O11	N/A	-	-
PD 123177	479.2095	C29H28N4O3	79978	-	C15552
heneicosanoyl-glycero-phosp...	479.3150	C24H49O7P	N/A	-	-
Brassinolide	479.3368	C28H48O6	27722	HMDB0034081	C08814
C32:0	479.4825	C32H64O2	N/A	-	-
LysoPC(15:0)	480.3094	C23H48NO7P	131924	HMDB0010381	C04230
E)-methylbut-enoyl]oxy}-oxo...	481.0809	C21H22O11S	N/A	-	-
Dihydropterin-yl)methyl]-(r...	481.1251	C18H23N6O8P	N/A	-	-
LysoPA(22:5/0:0)	483.2521	C25H41O7P	N/A	-	-
choline	487.0991	C14H26N4O11P2	15354	HMDB0000097	C00114
O-Acetylglycitin	487.1246	C24H24O11	N/A	-	-
Ionol O-[arabinosyl-(>6)-he...	487.2555	C24H40O10	N/A	-	-
Barringtogenol C	489.3577	C30H50O5	-	HMDB0034525	C08931
LysoPC(16:1/0:0)	492.3090	C24H48NO7P	73851	HMDB0010383	C04230
Hydroxy-tritriacontanone	493.4988	C33H66O2	N/A	-	-
LysoPC(16:0)	494.3249	C24H50NO7P	72998	HMDB0010382	C04230
H-chromen-yl)-trihydroxyoxa...	495.0610	C21H20O12S	N/A	-	-
Pregnanediol-glucuronide	495.2967	C27H44O8	N/A	-	-
HR1917	496.1730	C26H23N7O4.	N/A	-	-
Methyl di-O-galloyl-glucopy...	497.0939	C21H22O14	N/A	-	-
TG(10:0/8:0/8:0)	497.3857	C29H54O6	-	HMDB0072193	-
trihydroxy-({methoxy-oxo-tr...	499.0885	C24H20O12	N/A	-	-
Mupirocin	499.2918	C26H44O9	7025	HMDB0014554	C11758
LysoPE(0:0/20:4)	500.2776	C25H44NO7P	72741	HMDB0011487	-
[({[(carboxy-trihydroxyoxan...	501.0890	C20H22O15	N/A	-	-
Triose	503.1614	C18H32O16	N/A	-	-
LysoPE(0:0/20:2)	504.3091	C25H48NO7P	131692	HMDB0011483	-
Protohypericin	505.0922	C30H18O8	-	HMDB0034180	-
LysoPE(0:0/20:1)	506.3245	C25H50NO7P	-	HMDB0011482	-
Acetyl-T2 Toxin	507.2233	C26H36O10	-	HMDB0033164	-
LysoPE(0:0/20:0)	508.3403	C25H52NO7P	131691	HMDB0011481	-
C14 Cer	508.4732	C32H63NO3	72957	HMDB0011773	C13916
Abeo-acetoxyisoobacun-3,olide	513.2118	C28H34O9	N/A	-	-
Telmisartan	513.2304	C33H30N4O2	9434	HMDB0015101	C07710
dTDP-rhodinosea1	515.0836	C24H20O13	N/A	-	-
Lucidenic acid E2	515.2641	C29H40O8	-	HMDB0036434	-
Retapamulin	516.3161	C30H47NO4S	-	HMDB0015386	-
Malonylgenistin	517.0995	C24H22O13	-	HMDB0029529	C16192
[({[dihydroxy-bis(hydroxyme...	517.1420	C18H30O17	N/A	-	-
Ganoderiol C	517.3889	C32H54O5	-	HMDB0037781	-
Adenosine O-(thiotriphophate)	521.9656	C10H16N5O12P3S	N/A	-	-
Ligustroside	523.1813	C25H32O12	-	HMDB0034751	-
VPGPR Enterostatin	523.3007	C23H40N8O6	-	HMDB0003577	-
Stearoylglycerophosphocholine	523.3646	C26H55NO7P	N/A	-	-
Stearoylglycerophosphoserine	524.2986	C24H48NO9P	N/A	-	-
H-chromen-yl]-trihydroxyoxa...	525.0699	C22H22O13S	N/A	-	-
Hydroxy-tyrosyl-AMP	525.1130	C19H23N6O10P	N/A	-	-
LysoPE(0:0/22:4)	528.3087	C27H48NO7P	-	HMDB0011493	-
dTDP-oxo-dideoxy-hexose	529.0640	C16H24N2O14P2	N/A	-	-
Cinncassiol D2 hexoside	529.2652	C26H42O11	N/A	-	-
Sabadelin	529.4618	C35H62O3	-	HMDB0034033	-
{[(carboxy-trihydroxyoxan-y...	532.0860	C24H21O14	N/A	-	-
Dihydrovomifoliol [rhamnosy...	533.2603	C25H42O12	N/A	-	-
E,8E)-dihydroxyoctadeca-die...	534.4888	C34H65NO3	N/A	-	-
PA(8:0/16:0)	535.3405	C27H53O8P	-	HMDB0115487	-
C16 Cer	536.5043	C34H67NO3	72959	HMDB0004949	C00195
Euphorbia factor Ti2	537.2858	C32H42O7	N/A	-	-
Tetrahydroaldosterone-glucu...	539.2498	C27H40O11	N/A	-	-
TG(8:0/8:0/a-13:0)[rac]	539.4308	C32H60O6	N/A	-	-
Yuccaol C	541.1144	C30H22O10	-	HMDB0036739	-
Italidipyrone	541.2082	C29H34O10	-	HMDB0041308	-
Estriol sulfate glucuronide	543.1552	C24H32O12S	N/A	-	-
Perindopril Acyl-glucuronide	543.2549	C25H40N2O11	N/A	-	-
Dihydrozeatin-hexoside-O-he...	544.2258	C22H35N5O11	N/A	-	-
Canavalioside	545.2601	C26H42O12	-	HMDB0036317	-
[({[dihydroxy-(3,4,trihydro...	546.0521	C23H17NO15	N/A	-	-
Deoxythymidine PP-l-rhamnose	547.0727	C16H26N2O15P2	N/A	-	-
Antimycin A1	547.2672	C28H40N2O9	N/A	-	-
Endoxifen O-glucuronide	550.2437	C31H37NO8	-	HMDB0060622	-
Handelin	551.2642	C32H40O8	N/A	-	-
Arbekacina1	551.3048	C22H44N6O10	N/A	-	-
Acrovestone	553.2796	C32H42O8	N/A	-	-
Lissamine rhodamine B	556.1336	C27H29N2O7S2.	52101	HMDB0031987	C20348
Auriculine	558.3083	C31H45NO8	N/A	-	-
Prunus inhibitor b	559.1240	C30H24O11	-	HMDB0037687	-
dTDP-dimethyl-lyxose	561.0885	C17H28N2O15P2	N/A	-	-
TMC 126	561.2266	C28H38N2O8S	N/A	-	C15659
Hydroxycinnzeylanol hexoside	561.2564	C26H42O13	N/A	-	-
Cholesterol glucuronide	561.3791	C33H54O7	-	HMDB0010330	C03033
C18:1 Cer	562.5195	C36H69NO3	77996	HMDB0004948	C00195
Cascaroside C	563.1773	C27H32O13	-	HMDB0035757	-
PA(8:0/18:0)	563.3713	C29H57O8P	-	HMDB0115489	-
C18 Cer	564.5352	C36H71NO3	72961	HMDB0004950	C00195
Hydroxycastavinol	565.1563	C26H30O14	N/A	-	-
Cefotetan disodium	571.9797	C17H15N7O8S4.	N/A	-	-
Asclepin	573.2716	C31H42O10	N/A	-	-
DG(15:0/18:4/0:0)	573.4518	C36H62O5	N/A	-	-
DG(15:0/18:3/0:0)	575.4672	C36H64O5	N/A	-	-
Uridine PP glucuronic acid	579.0270	C15H22N2O18P2	N/A	-	-
Hordatine B	579.3044	C29H40N8O5	-	HMDB0030459	C08308
N1,N5,NTricoumaroyl spermidine	582.2609	C34H37N3O6	N/A	-	-
Bilirubin	583.2553	C33H36N4O6	16990	HMDB0000054	C00486
fucose	588.0758	C16H25N5O15P2	42548	HMDB0000174	C01019
H-chromen-yl]phenoxy}-3,4,t...	589.1196	C27H26O15	N/A	-	-
Pheophorbide a	591.2616	C35H36N4O5	38257	METPA1634	C18021
Tuberoside	591.3892	C34H56O8	-	HMDB0039054	-
Epicatechin-(4>8)-gallocate...	593.1291	C30H26O13	N/A	-	-
Eriodictyol (trans-p-coumar...	595.1445	C30H28O13	N/A	-	-
Erythrodiol decanoate	595.5089	C40H68O3	N/A	-	-
Lymecycline	601.2520	C29H38N4O10	59040	HMDB0014401	-
UDP-acetyl-hexosamine	606.0737	C17H27N3O17P2	N/A	-	-
Candletoxin A	607.2918	C35H44O9	N/A	-	-
Cannabisin C	609.2234	C35H34N2O8	N/A	-	-
H-benzopyran-yl]propyl]phen...	611.1221	C30H28O12S	N/A	-	-
C16 CErP	616.4700	C34H68NO6P	N/A	-	-
ADP-glycero-manno-heptose	618.0864	C17H27N5O16P2	N/A	-	-
Arachidonoylglycerophosphoi...	619.2899	C29H49O12P	N/A	-	-
CE(5M5)	619.5098	C42H68O3	-	HMDB0112215	-
Acetyl-hexosaminyl)-phospha...	620.1586	C21H36NO18P	N/A	-	-
Red chlorophyll catabolite	625.2676	C35H38N4O7	47899	METPA1635	C18022
Phaeantharine	631.2807	C39H40N2O6	N/A	-	-
Sialyllactose	632.2043	C23H39NO19	N/A	-	-
Actinorhodin	633.1251	C32H26O14	N/A	-	C06691
Pimelea factor P2	637.3391	C37H50O9	N/A	-	-
Cefoperazone sodium	643.1278	C25H26N9O8S2.	3493	HMDB0015424	C06883
C18 CerP	644.5017	C36H72NO6P	73144	HMDB0010701	-
C24:1 Cer	646.6134	C42H81NO3	74450	HMDB0004953	C00195
PA(16:0/16:0)	647.4647	C35H69O8P	73246	HMDB0000674	C00416
CE(5M7)	647.5402	C44H72O3	-	HMDB0112216	-
DG(14:1/24:1/0:0)	647.5622	C41H76O5	N/A	-	-
Congo red	649.0980	C32H22N6O6S2.	N/A	-	-
Uzarigenin [xylosyl-(>2)-rh...	651.3377	C34H52O12	N/A	-	-
DG(18:4/22:6/0:0)	659.4675	C43H64O5	N/A	-	-
NADH (red)	664.1171	C21H29N7O14P2	N/A	-	-
Glycogen	665.2141	C24H42O21	28087	HMDB0000757	C00182
DG(15:0/24:0/0:0)	665.6083	C42H82O5	-	HMDB0007093	-
PA(16:0/18:1)	673.4808	C37H71O8P	89530	HMDB0007858	C00416
CE(20:2)	675.6087	C47H80O2	N/A	-	-
PA(18:4/18:4)	687.4026	C39H61O8P	-	HMDB0115038	-
PC(14:1/15:0)	688.4915	C37H72NO8P	-	HMDB0007901	C00157
Cyclic diGMP	689.0867	C20H24N10O14P2	N/A	-	-
H-chromen-yl}-hydroxyphenyl...	689.1028	C27H30O19S	N/A	-	-
PC(14:0/15:0)	690.5074	C37H74NO8P	134576	HMDB0007868	C00157
Hexadecanoyloleanolic acid	693.5824	C46H78O4	N/A	-	-
PE(18:4/P-16:0)	694.4823	C39H70NO7P	-	HMDB0009213	C00350
Octaprenyl-methyl-methoxy-b...	695.5402	C48H72O3	N/A	-	-
H-chromen-yl]-2,dihydroxyph...	697.1266	C29H30O20	N/A	-	-
PA(14:1/22:2)	697.4809	C39H71O8P	-	HMDB0114805	-
PA(18:0/18:2)	699.4972	C39H73O8P	77248	HMDB0007861	C00416
SM(d18:0/16:1)	701.5596	C39H79N2O6P	N/A	-	-
PC(14:0/16:0)	704.5233	C38H76NO8P	75062	HMDB0007869	C00157
Pradimicin B	707.2090	C35H36N2O14	N/A	-	-
O-(Benzoyl)benzoyl ATP	714.0401	C24H24N5O15P3	N/A	-	-
Neocasomorphin	715.3671	C35H52N6O10	-	HMDB0060164	-
PG(16:1/16:1)	717.4710	C38H71O10P	-	HMDB0010586	-
PA(16:0/22:5)	721.4808	C41H71O8P	-	HMDB0114847	-
PE(18:3/P-18:1)	722.5125	C41H74NO7P	-	HMDB0009149	C00350
PS(14:1/18:3)	726.4358	C38H66NO10P	-	HMDB0012348	-
PE(18:1/P-18:1)	726.5442	C41H78NO7P	137118	HMDB0009050	C00350
Licoagrodin	727.2920	C45H44O9	-	HMDB0035372	-
H-chromen-yl]oxy}-4,dihydro...	730.1760	C34H35O18	N/A	-	-
PS(16:0/16:0)	734.4973	C38H74NO10P	84523	HMDB0000614	C02737
PC(18:4/P-16:0)	736.5278	C42H76NO7P	89428	HMDB0008258	C00157
PC(15:0/18:3)	740.5230	C41H76NO8P	-	HMDB0007941	C00157
NADP (ox)	743.0770	C21H29N7O17P3	N/A	-	-
PG(16:0/18:3)	743.4871	C40H73O10P	-	HMDB0010576	-
Hedamycin	745.3333	C41H50N2O11	N/A	-	-
O-b-Gal-(>3)-O-[O-b-Gal-(>4...	747.2675	C28H48N2O21	N/A	-	-
Pelargonidin sophoroside he...	756.2122	C33H41O20	N/A	-	-
PE(18:4/20:5)	756.4603	C43H68NO8P	-	HMDB0009203	C00350
PS(16:0/18:1)	760.5129	C40H76NO10P	34086	HMDB0012357	C13880
Narasin B	761.4836	C43H70O11	N/A	-	-
S)-6Hydroxy-tetrahydronicot...	762.0936	C21H32N7O18P3	N/A	-	-
PE(16:0/22:6)	762.5073	C43H74NO8P	78261	HMDB0008946	C00350
TG(14:1/14:1/18:4)	765.6032	C49H82O6	-	HMDB0047902	-
Torvoside E	769.4382	C40H66O14	-	HMDB0041530	-
PG(16:0/20:4)	769.5019	C42H75O10P	84526	HMDB0010580	-
Phyllanthusol B	770.2884	C35H49NO18	-	HMDB0035904	-
PG(16:0/20:3)	771.5175	C42H77O10P	89227	HMDB0010578	-
TG(14:0/14:0/18:3)	771.6516	C49H88O6	-	HMDB0042077	-
PC(15:0/20:0)	774.6015	C43H86NO8P	-	HMDB0007944	C00157
TG(16:0/14:0/16:1)	775.6811	C49H92O6	-	HMDB0010412	-
PE(22:4/P-18:1)	776.5597	C45H80NO7P	-	HMDB0009611	C00350
Sulfohexosylceramide (d18:1...	778.5156	C40H77NO11S	N/A	-	-
Digoxin	779.4235	C41H64O14	4551	HMDB0001917	C06956
PS(16:0/20:3)	784.5139	C42H76NO10P	90030	HMDB0012360	-
PC(20:5/P-18:1)	788.5592	C46H80NO7P	89065	HMDB0008523	C00157
TG(14:1/14:1/20:5)	791.6189	C51H84O6	-	HMDB0047904	-
PG(18:0/20:3)	799.5497	C44H81O10P	-	HMDB0010608	-
PC(o-16:0/22:0)	802.6693	C46H94NO7P	86243	HMDB0013408	-
Nostocyclopeptide A3	803.4107	C41H56N8O9	N/A	-	-
Acetyldigitoxin	805.4368	C43H66O14	53773	HMDB0014652	C16749
TG(15:0/16:0/o-18:0)	805.7657	C52H102O5	-	HMDB0043046	-
PC(22:6/P-18:1)	814.5752	C48H82NO7P	-	HMDB0008753	C00157
Momorcharaside A	815.4805	C42H72O15	-	HMDB0032942	-
SM(d18:0/24:0)	815.7023	C47H97N2O6P	84495	HMDB0012094	C00550
PG(18:2/22:6)	817.5023	C46H75O10P	89365	HMDB0010659	-
PGP(16:1/18:3)	821.4372	C40H72O13P2	-	HMDB0013493	-
PA(22:4/24:1)	833.6063	C49H87O8P	-	HMDB0115348	-
Lucyoside M	835.4487	C44H68O15	176325	HMDB0034546	-
Isofucosterol O-[O-(Octadec...	837.6620	C53H90O7	N/A	-	-
PC(16:0/24:1)	842.6638	C48H94NO8P	86197	HMDB0007993	C00157
Azaspiracid 2	854.5070	C48H73NO12	-	HMDB0038234	-
PE(20:0/24:1)	856.6795	C49H96NO8P	-	HMDB0009245	C00350
Hydroxy rifabutin	861.4292	C46H62N4O12	N/A	-	-
Trypan Blue	867.0158	C34H24N6O14S4.	-	HMDB0039411	-
206	869.5641	C47H82O14	N/A	-	-
TG(15:0/16:0/22:2)	871.7753	C56H104O6	-	HMDB0043037	-
Glucoconvallatoxoloside	875.3923	C41H64O20	-	HMDB0030010	-
Glutaryl-CoA	880.1393	C26H42N7O19P3S	15524	HMDB0001339	C00527
Thermocryptoxanthin-11	881.6312	C57H86O7	N/A	-	-
TG(16:0/18:0/20:4)	881.7598	C57H102O6	-	HMDB0005370	-
PE(22:1/24:1)	882.6953	C51H98NO8P	-	HMDB0009542	C00350
PE(22:0/24:1)	884.7105	C51H100NO8P	-	HMDB0009509	C00350
TG(14:1/20:5/22:6)	893.6669	C59H90O6	-	HMDB0048343	-
TG(15:0/18:0/22:5)	893.7605	C58H102O6	-	HMDB0043068	-
H-benzopyran-yl]-4,12,1trio...	895.1545	C45H36O18S	N/A	-	-
Phenylglyoxylyl-CoA	898.1286	C29H40N7O18P3S	50117	METPA1187	C15524
TG(16:0/20:4/20:4)	901.7298	C59H98O6	-	HMDB0005392	-
Oxooctanoyl-CoA	906.1926	C29H48N7O18P3S	N/A	-	-
Tragopogonsaponin K	911.4794	C50H72O15	-	HMDB0037925	-
Decanoyl-CoA (n-C10:0CoA)	920.2430	C31H54N7O17P3S	28493	HMDB0006404	C05274
Undecaprenyl PP	925.6252	C55H92O7P2	N/A	-	-
TG(18:1/20:4/20:4)	927.7442	C61H100O6	-	HMDB0005463	-
Angiotensin III	929.5000	C46H66N12O9	1183270	HMDB0001036	C15848
Cyanidin O-[b-Glucopyranosy...	934.2392	C42H47O24	N/A	-	-
Tragopogonsaponin M	943.5053	C51H76O16	-	HMDB0037929	-
Rebaudioside C	949.4297	C44H70O22	-	HMDB0034947	-
TG(20:4/20:4/20:4)	949.7301	C63H98O6	-	HMDB0005478	-
TG(20:0/22:4/o-18:0)	951.8751	C63H116O5	N/A	-	-
TG(14:0/24:1/22:6)	959.8068	C63H108O6	-	HMDB0042509	-
A-Deolivosylpremithramycin B	961.3705	C47H62O21	N/A	-	-
TG(22:6/18:3/22:6)	971.7138	C65H96O6	-	HMDB0010558	-
CL(8:0/8:0/8:0/13:0)	973.5433	C46H88O17P2	-	HMDB0116802	-
TG(15:0/24:1/22:6)	973.8226	C64H110O6	-	HMDB0043393	-
E)-Tetradecenoyl-CoA	974.2899	C35H60N7O17P3S	N/A	-	-
PC(DiMe/DiMe)	977.7087	C56H101NO10P	N/A	-	-
TG(22:0/22:2/o-18:0)	983.9370	C65H124O5	N/A	-	-
Feruloyl-diketide-CoA	984.1660	C33H46N7O20P3S	71236	-	C17741
Quinquenoside III	987.5523	C50H84O19	-	HMDB0032816	-
Maltohexaose	989.3201	C36H62O31	61953	HMDB0012253	C01936
Quinquenoside I	1013.5689	C52H86O19	-	HMDB0032814	-
Hydroxyhexadecanoyl-CoA	1020.3329	C37H66N7O18P3S	N/A	-	-
TG(22:6/22:6/22:6)	1021.7299	C69H98O6	-	HMDB0010562	-
CL(8:0/8:0/8:0/18:0)	1043.6197	C51H98O17P2	-	HMDB0116815	-
METABOLITES_END
#END