#METABOLOMICS WORKBENCH LuLabIUB_20251106_075506 DATATRACK_ID:6629 STUDY_ID:ST004432 ANALYSIS_ID:AN007413 PROJECT_ID:PR002800
VERSION             	1
CREATED_ON             	November 12, 2025, 7:03 pm
#PROJECT
PR:PROJECT_TITLE                 	Metabolomic profiling of NMNAT2–SARM1 pathway modulation in mouse cortical
PR:PROJECT_TITLE                 	neurodegeneration
PR:PROJECT_SUMMARY               	Neuronal NAD⁺ depletion via NMNAT2 loss reprograms brain metabolism toward
PR:PROJECT_SUMMARY               	fatty-acid oxidation, lipid depletion, and oxidative stress. Multi-omics
PR:PROJECT_SUMMARY               	profiling (untargeted metabolomics and lipidomics) of NMNAT2 conditional
PR:PROJECT_SUMMARY               	knockout and SARM1-deleted mouse cortex revealed coordinated changes in
PR:PROJECT_SUMMARY               	glycolysis, redox cofactors, and lipid pathways. Complete SARM1 deletion
PR:PROJECT_SUMMARY               	restored metabolic and lipid balance, supporting the NMNAT2–SARM1 axis as a
PR:PROJECT_SUMMARY               	key regulator of neuronal and glial metabolism.
PR:INSTITUTE                     	Indiana University Bloomington
PR:LAST_NAME                     	Niou
PR:FIRST_NAME                    	Zhen-Xian
PR:ADDRESS                       	400 EAST SEVENTH STREET, BLOOMINGTON, IN, 47405, USA
PR:EMAIL                         	niouz@iu.edu
PR:PHONE                         	7022097321
#STUDY
ST:STUDY_TITLE                   	Metabolomic profiling of NMNAT2–SARM1 pathway modulation in mouse cortical
ST:STUDY_TITLE                   	neurodegeneration
ST:STUDY_SUMMARY                 	NAD⁺ homeostasis is vital for neuronal health, as demonstrated by the opposing
ST:STUDY_SUMMARY                 	roles of nicotinamide mononucleotide adenylyltransferase 2 (NMNAT2), a
ST:STUDY_SUMMARY                 	NAD⁺-synthesizing enzyme, and sterile alpha and TIR motif-containing protein 1
ST:STUDY_SUMMARY                 	(SARM1), a NAD⁺ hydrolase. Neurodegenerative insults that decrease NMNAT2
ST:STUDY_SUMMARY                 	activate SARM1, leading to axon loss. To understand how the NMNAT2–SARM1 axis
ST:STUDY_SUMMARY                 	influences brain energy metabolism, we employed multi-omics approaches to
ST:STUDY_SUMMARY                 	investigate the metabolic changes resulting from neuronal NMNAT2 loss. Loss of
ST:STUDY_SUMMARY                 	NMNAT2 in glutamatergic neurons leads to a significant metabolic shift in the
ST:STUDY_SUMMARY                 	cerebral cortex from glucose to lipid catabolism, reduced lipid abundance, and
ST:STUDY_SUMMARY                 	pronounced neurodegenerative phenotypes and motor behavioral deficits. These
ST:STUDY_SUMMARY                 	metabolic disturbances are accompanied by altered glial expression of enzymes
ST:STUDY_SUMMARY                 	regulating glucose and lipid metabolism, enhanced inflammatory signaling, and
ST:STUDY_SUMMARY                 	disrupted astrocytic transcriptomic profiles related to cholesterol synthesis
ST:STUDY_SUMMARY                 	and immune activation. Notably, SARM1 deletion in NMNAT2-deficient mice restored
ST:STUDY_SUMMARY                 	lipid metabolism, astrocyte transcriptomic profiles, and mitigated
ST:STUDY_SUMMARY                 	neurodegeneration and motor behaviors. These findings suggest that neuronal
ST:STUDY_SUMMARY                 	NAD⁺ depletion triggers maladaptive, SARM1-dependent metabolic reprogramming,
ST:STUDY_SUMMARY                 	shifting energy use from glucose to lipids, which in turn promotes inflammation
ST:STUDY_SUMMARY                 	and neurodegeneration. Metabolomic profiling revealed decreased NAD⁺ and
ST:STUDY_SUMMARY                 	glycolytic intermediates, accumulation of fatty acid oxidation and ketone
ST:STUDY_SUMMARY                 	metabolites, and widespread depletion of cholesterol- and phospholipid-related
ST:STUDY_SUMMARY                 	species, all of which were normalized by SARM1 deletion.
ST:INSTITUTE                     	Indiana University Bloomington
ST:LAST_NAME                     	Niou
ST:FIRST_NAME                    	Zhen-Xian
ST:ADDRESS                       	400 EAST SEVENTH STREET
ST:EMAIL                         	niouz@iu.edu
ST:PHONE                         	7022097321
ST:NUM_GROUPS                    	5
ST:TOTAL_SUBJECTS                	30
ST:NUM_MALES                     	30
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#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           	-	IUB_ZN-01	Sample source:Brain cortex | Treatment:Ctrl | Genotype:Nexcre/+ NMNAT2f/+	RAW_FILE_NAME(Raw_file_name(neg))=T2406202a_N.mzML; RAW_FILE_NAME(Raw_file_name(pos))=T2406202a_P.mzML
SUBJECT_SAMPLE_FACTORS           	-	IUB_ZN-02	Sample source:Brain cortex | Treatment:Ctrl | Genotype:Nexcre/+ NMNAT2f/+	RAW_FILE_NAME(Raw_file_name(neg))=T2406203a_N.mzML; RAW_FILE_NAME(Raw_file_name(pos))=T2406203a_P.mzML
SUBJECT_SAMPLE_FACTORS           	-	IUB_ZN-03	Sample source:Brain cortex | Treatment:Ctrl | Genotype:Nexcre/+ NMNAT2f/+	RAW_FILE_NAME(Raw_file_name(neg))=T2406204a_N.mzML; RAW_FILE_NAME(Raw_file_name(pos))=T2406204a_P.mzML
SUBJECT_SAMPLE_FACTORS           	-	IUB_ZN-04	Sample source:Brain cortex | Treatment:Ctrl | Genotype:Nexcre/+ NMNAT2f/+	RAW_FILE_NAME(Raw_file_name(neg))=T2406205a_N.mzML; RAW_FILE_NAME(Raw_file_name(pos))=T2406205a_P.mzML
SUBJECT_SAMPLE_FACTORS           	-	IUB_ZN-05	Sample source:Brain cortex | Treatment:Ctrl | Genotype:Nexcre/+ NMNAT2f/+	RAW_FILE_NAME(Raw_file_name(neg))=T2406206a_N.mzML; RAW_FILE_NAME(Raw_file_name(pos))=T2406206a_P.mzML
SUBJECT_SAMPLE_FACTORS           	-	IUB_ZN-06	Sample source:Brain cortex | Treatment:cKO | Genotype:Nexcre/+ NMNAT2f/f	RAW_FILE_NAME(Raw_file_name(neg))=T2406207a_N.mzML; RAW_FILE_NAME(Raw_file_name(pos))=T2406207a_P.mzML
SUBJECT_SAMPLE_FACTORS           	-	IUB_ZN-07	Sample source:Brain cortex | Treatment:cKO | Genotype:Nexcre/+ NMNAT2f/f	RAW_FILE_NAME(Raw_file_name(neg))=T2406208a_N.mzML; RAW_FILE_NAME(Raw_file_name(pos))=T2406208a_P.mzML
SUBJECT_SAMPLE_FACTORS           	-	IUB_ZN-08	Sample source:Brain cortex | Treatment:cKO | Genotype:Nexcre/+ NMNAT2f/f	RAW_FILE_NAME(Raw_file_name(neg))=T2406209a_N.mzML; RAW_FILE_NAME(Raw_file_name(pos))=T2406209a_P.mzML
SUBJECT_SAMPLE_FACTORS           	-	IUB_ZN-09	Sample source:Brain cortex | Treatment:cKO | Genotype:Nexcre/+ NMNAT2f/f	RAW_FILE_NAME(Raw_file_name(neg))=T2406210a_N.mzML; RAW_FILE_NAME(Raw_file_name(pos))=T2406210a_P.mzML
SUBJECT_SAMPLE_FACTORS           	-	IUB_ZN-10	Sample source:Brain cortex | Treatment:cKO | Genotype:Nexcre/+ NMNAT2f/f	RAW_FILE_NAME(Raw_file_name(neg))=T2406211a_N.mzML; RAW_FILE_NAME(Raw_file_name(pos))=T2406211a_P.mzML
SUBJECT_SAMPLE_FACTORS           	-	IUB_ZN-16	Sample source:Brain cortex | Treatment:Ctrl-2 | Genotype:Nexcre/+ NMNAT2f/+ Sarm1null/+	RAW_FILE_NAME(Raw_file_name(neg))=T2406217a_N.mzML; RAW_FILE_NAME(Raw_file_name(pos))=T2406217a_P.mzML
SUBJECT_SAMPLE_FACTORS           	-	IUB_ZN-17	Sample source:Brain cortex | Treatment:Ctrl-2 | Genotype:Nexcre/+ NMNAT2f/+ Sarm1null/+	RAW_FILE_NAME(Raw_file_name(neg))=T2406218a_N.mzML; RAW_FILE_NAME(Raw_file_name(pos))=T2406218a_P.mzML
SUBJECT_SAMPLE_FACTORS           	-	IUB_ZN-18	Sample source:Brain cortex | Treatment:Ctrl-2 | Genotype:Nexcre/+ NMNAT2f/+ Sarm1null/+	RAW_FILE_NAME(Raw_file_name(neg))=T2406219a_N.mzML; RAW_FILE_NAME(Raw_file_name(pos))=T2406219a_P.mzML
SUBJECT_SAMPLE_FACTORS           	-	IUB_ZN-19	Sample source:Brain cortex | Treatment:Ctrl-2 | Genotype:Nexcre/+ NMNAT2f/+ Sarm1null/+	RAW_FILE_NAME(Raw_file_name(neg))=T2406220a_N.mzML; RAW_FILE_NAME(Raw_file_name(pos))=T2406220a_P.mzML
SUBJECT_SAMPLE_FACTORS           	-	IUB_ZN-20	Sample source:Brain cortex | Treatment:cKO S/+ | Genotype:Nexcre/+ NMNAT2f/f Sarm1null/+	RAW_FILE_NAME(Raw_file_name(neg))=T2406221a_N.mzML; RAW_FILE_NAME(Raw_file_name(pos))=T2406221a_P.mzML
SUBJECT_SAMPLE_FACTORS           	-	IUB_ZN-21	Sample source:Brain cortex | Treatment:cKO S/+ | Genotype:Nexcre/+ NMNAT2f/f Sarm1null/+	RAW_FILE_NAME(Raw_file_name(neg))=T2406222a_N.mzML; RAW_FILE_NAME(Raw_file_name(pos))=T2406222a_P.mzML
SUBJECT_SAMPLE_FACTORS           	-	IUB_ZN-22	Sample source:Brain cortex | Treatment:cKO S/+ | Genotype:Nexcre/+ NMNAT2f/f Sarm1null/+	RAW_FILE_NAME(Raw_file_name(neg))=T2406223a_N.mzML; RAW_FILE_NAME(Raw_file_name(pos))=T2406223a_P.mzML
SUBJECT_SAMPLE_FACTORS           	-	IUB_ZN-23	Sample source:Brain cortex | Treatment:cKO S/+ | Genotype:Nexcre/+ NMNAT2f/f Sarm1null/+	RAW_FILE_NAME(Raw_file_name(neg))=T2406224a_N.mzML; RAW_FILE_NAME(Raw_file_name(pos))=T2406224a_P.mzML
SUBJECT_SAMPLE_FACTORS           	-	IUB_ZN-24	Sample source:Brain cortex | Treatment:cKO S/+ | Genotype:Nexcre/+ NMNAT2f/f Sarm1null/+	RAW_FILE_NAME(Raw_file_name(neg))=T2406225a_N.mzML; RAW_FILE_NAME(Raw_file_name(pos))=T2406225a_P.mzML
SUBJECT_SAMPLE_FACTORS           	-	IUB_ZN-25	Sample source:Brain cortex | Treatment:cKO S/+ | Genotype:Nexcre/+ NMNAT2f/f Sarm1null/+	RAW_FILE_NAME(Raw_file_name(neg))=T2406226a_N.mzML; RAW_FILE_NAME(Raw_file_name(pos))=T2406226a_P.mzML
SUBJECT_SAMPLE_FACTORS           	-	IUB_ZN-26	Sample source:Brain cortex | Treatment:cKO S/S | Genotype:Nexcre/+ NMNAT2f/f Sarm1null/null	RAW_FILE_NAME(Raw_file_name(neg))=T2406227a_N.mzML; RAW_FILE_NAME(Raw_file_name(pos))=T2406227a_P.mzML
SUBJECT_SAMPLE_FACTORS           	-	IUB_ZN-27	Sample source:Brain cortex | Treatment:cKO S/S | Genotype:Nexcre/+ NMNAT2f/f Sarm1null/null	RAW_FILE_NAME(Raw_file_name(neg))=T2406228a_N.mzML; RAW_FILE_NAME(Raw_file_name(pos))=T2406228a_P.mzML
SUBJECT_SAMPLE_FACTORS           	-	IUB_ZN-28	Sample source:Brain cortex | Treatment:cKO S/S | Genotype:Nexcre/+ NMNAT2f/f Sarm1null/null	RAW_FILE_NAME(Raw_file_name(neg))=T2406229a_N.mzML; RAW_FILE_NAME(Raw_file_name(pos))=T2406229a_P.mzML
SUBJECT_SAMPLE_FACTORS           	-	IUB_ZN-29	Sample source:Brain cortex | Treatment:cKO S/S | Genotype:Nexcre/+ NMNAT2f/f Sarm1null/null	RAW_FILE_NAME(Raw_file_name(neg))=T2406230a_N.mzML; RAW_FILE_NAME(Raw_file_name(pos))=T2406230a_P.mzML
SUBJECT_SAMPLE_FACTORS           	-	IUB_ZN-30	Sample source:Brain cortex | Treatment:cKO S/S | Genotype:Nexcre/+ NMNAT2f/f Sarm1null/null	RAW_FILE_NAME(Raw_file_name(neg))=T2406231a_N.mzML; RAW_FILE_NAME(Raw_file_name(pos))=T2406231a_P.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	All the Brain tissues were collected when mice reached postnatal day 16–21.
CO:COLLECTION_SUMMARY            	The somatosensory cortical region was rapidly dissected immediately after
CO:COLLECTION_SUMMARY            	euthanasia. All procedures were performed on ice to preserve tissue integrity.
CO:COLLECTION_SUMMARY            	The dissected tissues were then snap-frozen in a dry ice/ethanol bath and stored
CO:COLLECTION_SUMMARY            	at -80°C.
CO:SAMPLE_TYPE                   	Brain cortex
#TREATMENT
TR:TREATMENT_SUMMARY             	No additional treatment conducted, samples are clustered by genotype. Animals
TR:TREATMENT_SUMMARY             	were genotyped using ear punch tissue followed by PCR-based genotyping.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Samples stored at -80 °C was thawed on ice and homogenized in a ball-mill
SP:SAMPLEPREP_SUMMARY            	grinder at 30 Hz for 20s. 400 μL solution (Methanol : Water = 7:3, V/V)
SP:SAMPLEPREP_SUMMARY            	containing internal standard was mixed with 20 mg of ground sample and mixed in
SP:SAMPLEPREP_SUMMARY            	a shaker at 2500 rpm for 5 min. The mixture was placed on ice for 15 min and
SP:SAMPLEPREP_SUMMARY            	centrifuged at 12000 rpm for 10 min (4 °C). 300 μL of the supernatant was
SP:SAMPLEPREP_SUMMARY            	collected and placed in -20 °C for 30 min. The sample was then centrifuged at
SP:SAMPLEPREP_SUMMARY            	12000 rpm for 3 min (4 °C). A 200 μL aliquot of the supernatant was used for
SP:SAMPLEPREP_SUMMARY            	LC-MS
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Agilent 1290
CH:COLUMN_NAME                   	Waters ACQUITY UPLC BEH Amide (150 x 2.1mm,1.7um)
CH:SOLVENT_A                     	60% acetonitrile/30% water/10% methanol; 20 mM ammonium formate; pH 10.6
CH:SOLVENT_B                     	40% acetonitrile/60% water; 20 mM ammonium formate; pH 10.6
CH:FLOW_GRADIENT                 	0-3.5 min: 95% A, 5% B; 3.5-5.5 min: 70% A, 30% B; 5.5-6.5 min: 5% A, 95% B;
CH:FLOW_GRADIENT                 	6.5-10 min: 95% A, 5% B.
CH:FLOW_RATE                     	0.40 mL/min
CH:COLUMN_TEMPERATURE            	40
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	ABI Sciex Triple Quad 6500+
MS:INSTRUMENT_TYPE               	Triple TOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	The original data file acquired by LC-MS was converted to mzML format by
MS:MS_COMMENTS                   	ProteoWizard. Peak extraction, peak alignment and retention time correction were
MS:MS_COMMENTS                   	performed by XCMS program. The peaks with missing rate >50% in each group of
MS:MS_COMMENTS                   	samples were filtered. The blank values were filled with KNN, and the peak area
MS:MS_COMMENTS                   	was corrected by SVR method. The metabolites were annotated by searching the
MS:MS_COMMENTS                   	MetwareBio’s in-house database, integrated public database, prediction
MS:MS_COMMENTS                   	database and metDNA. Finally, substances with a comprehensive identification
MS:MS_COMMENTS                   	score above 0.5 and a CV value of QC samples less than 0.3 were extracted, and
MS:MS_COMMENTS                   	then positive and negative mode were combined (substances with the highest
MS:MS_COMMENTS                   	qualitative grade and the lowest CV value were retained) to obtain the
MS:MS_COMMENTS                   	all_sample_data.xlsx file.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Peak area (arbitrary units)
MS_METABOLITE_DATA_START
Samples	IUB_ZN-01	IUB_ZN-02	IUB_ZN-03	IUB_ZN-04	IUB_ZN-05	IUB_ZN-06	IUB_ZN-07	IUB_ZN-08	IUB_ZN-09	IUB_ZN-10	IUB_ZN-16	IUB_ZN-17	IUB_ZN-18	IUB_ZN-19	IUB_ZN-20	IUB_ZN-21	IUB_ZN-22	IUB_ZN-23	IUB_ZN-24	IUB_ZN-25	IUB_ZN-26	IUB_ZN-27	IUB_ZN-28	IUB_ZN-29	IUB_ZN-30
Factors	Sample source:Brain cortex | Treatment:Ctrl | Genotype:Nexcre/+ NMNAT2f/+	Sample source:Brain cortex | Treatment:Ctrl | Genotype:Nexcre/+ NMNAT2f/+	Sample source:Brain cortex | Treatment:Ctrl | Genotype:Nexcre/+ NMNAT2f/+	Sample source:Brain cortex | Treatment:Ctrl | Genotype:Nexcre/+ NMNAT2f/+	Sample source:Brain cortex | Treatment:Ctrl | Genotype:Nexcre/+ NMNAT2f/+	Sample source:Brain cortex | Treatment:cKO | Genotype:Nexcre/+ NMNAT2f/f	Sample source:Brain cortex | Treatment:cKO | Genotype:Nexcre/+ NMNAT2f/f	Sample source:Brain cortex | Treatment:cKO | Genotype:Nexcre/+ NMNAT2f/f	Sample source:Brain cortex | Treatment:cKO | Genotype:Nexcre/+ NMNAT2f/f	Sample source:Brain cortex | Treatment:cKO | Genotype:Nexcre/+ NMNAT2f/f	Sample source:Brain cortex | Treatment:Ctrl-2 | Genotype:Nexcre/+ NMNAT2f/+ Sarm1null/+	Sample source:Brain cortex | Treatment:Ctrl-2 | Genotype:Nexcre/+ NMNAT2f/+ Sarm1null/+	Sample source:Brain cortex | Treatment:Ctrl-2 | Genotype:Nexcre/+ NMNAT2f/+ Sarm1null/+	Sample source:Brain cortex | Treatment:Ctrl-2 | Genotype:Nexcre/+ NMNAT2f/+ Sarm1null/+	Sample source:Brain cortex | Treatment:cKO S/+ | Genotype:Nexcre/+ NMNAT2f/f Sarm1null/+	Sample source:Brain cortex | Treatment:cKO S/+ | Genotype:Nexcre/+ NMNAT2f/f Sarm1null/+	Sample source:Brain cortex | Treatment:cKO S/+ | Genotype:Nexcre/+ NMNAT2f/f Sarm1null/+	Sample source:Brain cortex | Treatment:cKO S/+ | Genotype:Nexcre/+ NMNAT2f/f Sarm1null/+	Sample source:Brain cortex | Treatment:cKO S/+ | Genotype:Nexcre/+ NMNAT2f/f Sarm1null/+	Sample source:Brain cortex | Treatment:cKO S/+ | Genotype:Nexcre/+ NMNAT2f/f Sarm1null/+	Sample source:Brain cortex | Treatment:cKO S/S | Genotype:Nexcre/+ NMNAT2f/f Sarm1null/null	Sample source:Brain cortex | Treatment:cKO S/S | Genotype:Nexcre/+ NMNAT2f/f Sarm1null/null	Sample source:Brain cortex | Treatment:cKO S/S | Genotype:Nexcre/+ NMNAT2f/f Sarm1null/null	Sample source:Brain cortex | Treatment:cKO S/S | Genotype:Nexcre/+ NMNAT2f/f Sarm1null/null	Sample source:Brain cortex | Treatment:cKO S/S | Genotype:Nexcre/+ NMNAT2f/f Sarm1null/null
D-phenylalanine	825155.88	772688.99	699970.58	755112.93	861136.83	617627.7	580165.54	842132.02	848138.82	751585.94	641566.35	645082.86	558413.79	611054.4	700433.42	623140.15	677900.39	613585.55	749387.81	739031.32	619636.53	746227.48	559401.21	643454.0	1107371.08
Vidarabine monohydrate	235583.93	361293.33	144463.77	247266.6	147210.88	73308.98	104987.4	106093.03	176876.61	79955.2	207109.8	200216.84	106299.41	155589.29	74229.35	96024.16	189275.02	222041.89	208652.1	86970.19	76829.14	69277.31	79069.86	93501.17	88240.87
L-Lysine	48108.41	51814.33	52363.42	51355.36	55156.86	51117.5	42243.6	53748.37	64850.48	55297.88	48923.92	48907.43	58364.12	46221.58	55969.24	51842.94	54336.45	49326.77	60495.56	46332.95	51072.21	58540.84	35860.37	58313.19	82252.44
LPC(0:0/14:0)	2154.23	1064.82	1552.78	2431.44	3901.43	1998.97	3688.67	4780.42	4563.24	4136.11	1763.99	2165.17	2522.49	2125.62	7174.21	2144.04	1737.34	4695.24	3417.58	4503.75	3678.11	2121.35	3650.67	3342.1	1162.14
N6-Succinyl Adenosine	365187.15	336704.53	332789.31	357403.45	280153.0	486548.4	346812.32	542637.72	407253.02	393720.42	376016.92	350927.75	294761.51	395138.18	366343.19	383647.37	513662.45	400121.8	351629.02	307872.76	192785.78	275495.69	186179.12	336044.89	334583.64
Arginine	212721.75	232869.58	156612.44	175584.58	263726.2	168147.5	91346.63	156267.62	158137.36	159013.04	148098.17	166066.63	151132.05	167725.67	201139.83	184639.95	157107.09	108361.95	219174.04	180129.95	66259.44	230312.39	143787.29	164460.61	279747.41
L-Leucine	592167.41	566589.08	460841.79	471357.07	518004.74	472555.41	386187.22	504443.13	586177.29	523203.32	457651.74	424126.05	435199.75	473852.04	530327.05	439793.72	518858.53	530667.13	576525.28	522861.4	468634.74	543915.65	399955.59	482010.15	933241.12
L-Valine	109637.61	163140.87	107652.09	96511.2	95657.76	116291.09	95684.2	102284.47	108612.56	98895.97	102608.16	125739.01	104916.19	98415.25	102511.91	102704.51	108916.81	98761.47	104541.73	104045.68	102764.8	107383.66	137588.86	110930.35	156909.06
LPC(18:1/0:0)	2330722.28	1977373.49	2100558.01	2085183.06	2286666.62	1485684.81	1511258.81	1646638.03	1768483.97	1755593.33	1218551.14	1312738.27	975713.83	946674.13	850470.4	661696.94	854372.84	960669.98	953156.39	846204.83	755313.08	1084557.99	776009.99	753954.18	851563.56
Niacinamide	2615226.87	2396080.23	2359131.81	2532448.34	2637818.62	1749995.03	1808736.07	1760099.36	1995982.03	2090576.48	2372077.84	2425535.2	2084565.42	2272283.05	1738006.73	1911768.01	1892822.53	2069274.71	1800128.91	1910475.99	1972124.25	2271750.03	2114323.55	1986630.28	2086888.02
"N,N-Bis(2-hydroxyethyl)dodecanamide"	298262.5	336861.03	265638.67	368568.8	316729.35	446730.21	345129.61	432181.38	417357.61	522430.1	464932.81	308099.87	291562.36	264836.73	296296.03	315953.46	347057.36	326712.47	307238.06	411372.7	249322.52	334385.96	414596.43	361376.73	294510.12
Phosphorylcholine	538407.91	484468.14	483621.56	463817.41	446356.0	489748.96	347385.09	426118.42	487108.13	441050.84	496749.25	536084.46	589114.57	512937.55	538009.17	508460.07	479591.65	360318.77	437784.06	626682.74	616483.97	594687.68	598210.14	554105.7	528076.55
Sarcosine	138439.99	135607.66	128118.85	133363.95	141960.17	127950.14	126155.87	123953.86	134347.14	128235.31	131177.63	127932.86	116005.51	133881.12	114154.82	110908.99	138813.87	130813.46	107915.94	124898.17	114849.31	138883.1	123857.84	130392.91	125888.86
Glu-glu	93434.94	113597.51	101220.33	148913.71	136422.6	82469.77	56898.26	97925.25	113224.31	110409.96	170337.24	190160.84	179183.92	162999.27	157823.5	138098.32	169377.11	137030.18	179776.51	144672.45	180894.47	218102.38	202773.85	229444.85	183644.05
Octadecanamide	275465.49	258396.26	262018.26	262844.81	271341.04	256032.19	287348.88	280692.29	278711.94	284102.88	237862.15	267119.51	268058.64	316130.63	256989.67	349279.3	286025.03	295124.93	318873.68	328716.37	322484.89	277923.23	308735.5	290100.43	267953.32
Spaglumic acid	246824.57	221244.1	213809.27	228150.21	240914.82	323513.19	250717.12	272631.82	256081.51	282910.63	264257.7	310893.8	351025.86	283156.17	362871.41	366654.52	300722.29	209574.08	226587.9	300294.47	234863.62	291373.24	248984.63	272032.74	421210.78
Cytosine	25518.43	47197.95	41985.51	44684.32	36170.24	42110.68	24988.84	29284.53	40835.84	46315.98	57721.07	66356.92	57518.22	60710.25	50901.53	38440.48	68840.67	11875.42	55076.36	26983.66	35213.31	28200.54	33923.92	50746.63	45445.55
N-Acetyl-L-aspartic acid	487489.73	538839.61	543328.87	467067.07	441744.94	515524.06	585025.0	584218.81	560137.95	603294.23	559679.29	609244.83	500346.21	578733.0	555837.93	574417.14	535615.63	635404.33	532816.06	613789.76	541608.27	580950.35	601374.34	560037.61	520375.98
Adenylocuccinic Acid	108617.58	102494.1	127528.25	127003.9	85460.59	62241.07	44047.73	84815.05	87524.28	84695.33	127349.02	141293.38	109211.89	136398.62	53975.52	71484.61	177989.04	128676.16	96573.03	15625.37	14760.83	18679.17	15110.45	45024.43	40356.1
Pantothenic acid	162483.5	163815.52	139905.86	155288.83	166410.71	306647.92	261034.13	274133.92	265314.21	248968.02	193847.94	214768.65	235950.87	189270.74	273604.8	245290.14	213918.09	203377.22	180258.89	236693.49	169651.92	200791.83	138992.83	219626.96	270871.3
MG(16:0/0:0/0:0)	5127.01	5228.77	5148.35	4087.64	4222.43	4382.0	4702.4	4763.52	5459.05	4824.48	5513.18	5600.0	4125.08	5242.3	5073.74	5668.66	4587.5	4543.05	5249.2	4742.35	3959.9	5116.6	5079.07	5109.88	5497.41
Calcium pantothenate	3334.5	4218.59	2643.09	3934.28	4584.03	14078.2	10307.67	12084.91	11323.49	9884.47	5247.08	6540.69	6793.0	5567.73	11830.14	9505.75	8178.03	6155.07	5751.27	9313.07	2414.6	6349.81	6984.41	7534.91	11723.65
Corticosterone	17618.36	18337.52	21617.88	16274.77	19211.72	30813.8	26398.0	57396.39	19715.56	20593.58	38893.52	19797.9	10030.5	31860.71	2240.73	15541.65	11634.33	17726.08	2284.61	15356.7	30468.96	20351.05	3821.65	11517.42	3047.76
Piperidine acid	63948.45	64804.53	65240.22	66692.74	72337.52	63041.82	51978.84	68387.69	73811.7	68428.1	60665.58	59534.32	69184.07	64202.64	69874.15	65077.8	68008.71	57079.68	72770.45	59390.13	58676.22	72162.11	46003.61	70517.71	95018.5
1-Hydroxylamino-2-phenylethane	1042323.62	990439.76	882100.76	932147.05	1077902.92	786421.65	737899.04	1059335.0	1065491.54	947943.7	816501.92	835615.8	717162.51	779788.93	898162.14	798392.58	862996.36	781463.47	960078.89	929878.91	798211.53	950117.87	710825.18	805931.06	1373019.51
Palmitic amide	123452.72	120950.93	141986.46	165774.94	113865.61	153612.33	142767.18	126272.58	133191.68	140888.61	112819.31	106852.65	114133.0	110992.31	114836.45	109136.31	140864.68	121075.3	117275.15	116493.52	119565.9	147793.42	128983.12	136024.15	116727.87
Fulvestrant	1803.58	2095.8	1665.71	1330.12	1915.32	2115.02	2347.36	2409.03	1781.09	2365.99	1243.81	2017.58	2525.25	2411.65	1946.95	2461.59	2594.99	2802.98	2438.45	2623.26	2379.87	2606.11	2513.66	1828.72	2411.21
Cholesterol	140615.18	236280.02	226939.1	51157.69	216704.56	157441.66	268067.98	151567.59	150685.56	71124.26	49392.83	107770.37	243114.65	386996.11	113410.12	536429.89	234548.32	547156.13	82228.93	212782.13	544702.55	874678.58	989009.8	942018.6	976509.86
PC(8:0/8:0)	3410.37	2971.82	2024.58	2574.88	2853.22	1633.11	2013.35	2339.79	2451.01	1948.23	1100.55	1550.67	1214.94	2326.15	2527.27	1961.95	1331.07	1618.75	2026.12	956.63	727.27	867.29	1238.34	924.37	503.19
Cytidine-5'-monophosphate	30990.34	23456.72	33739.05	31615.15	30383.6	25522.91	6987.08	23737.43	27476.46	26793.79	39447.46	32668.37	35013.72	37893.93	37257.41	36396.31	41972.56	11313.53	27121.19	27676.2	36174.8	41097.31	31133.92	40980.71	16219.18
Carnitine C4:0	4319.88	2511.32	2582.4	3482.38	3738.56	3228.13	3941.14	7428.58	5141.3	3951.71	5431.56	6452.35	6731.03	6547.58	6722.99	4391.86	6702.93	6207.51	5296.58	4801.98	2803.51	5888.42	6204.51	6240.33	5196.15
Oxymatrine	217194.95	227348.23	221856.46	231903.42	219538.65	224173.15	291325.92	220158.23	189733.94	224992.07	214058.48	207951.68	221084.6	217351.22	214991.54	224137.82	224348.02	304755.33	220009.98	225811.35	234318.63	232977.54	228507.88	227182.85	229980.26
L-Isoleucine	22249.43	29378.45	29824.23	33964.72	34738.47	21995.34	50622.17	23680.91	28927.97	22469.22	27668.45	16149.31	24287.18	22799.61	28164.69	25452.94	39335.72	44348.02	26658.35	29438.97	23148.26	30383.56	19679.79	41796.99	39875.85
"3,4-Dimethylbenzoic acid"	3409.57	2522.03	2630.49	4887.64	3254.3	3123.72	2350.28	1640.24	1677.05	1874.89	1815.37	2562.96	3610.8	661.4	2461.67	1482.34	1170.47	1248.86	1346.12	1778.69	1186.38	1129.73	1231.14	1697.12	1763.59
Phytosphingosine	1080997.34	1128705.65	850174.38	1091232.07	915679.51	1192204.55	985818.75	912704.25	1201453.84	1413497.75	1279554.39	913903.55	1010277.17	827386.18	874775.84	850642.17	805593.75	893627.09	902264.54	1123159.29	844404.77	848889.35	904852.4	964597.11	868919.42
O-acetyl-L-serine	132502.6	122594.07	116542.35	125018.86	124364.32	172524.78	139392.22	134737.44	134496.08	139585.66	135782.5	153791.55	167170.79	143811.92	169798.61	176386.37	144310.44	122060.8	114671.03	149645.53	123766.27	138908.35	140407.76	136489.56	189991.32
Nelarabine	11009.36	10404.06	11557.73	10512.0	6193.09	10193.62	8466.8	9674.41	6559.69	8466.67	7223.32	6752.72	5511.18	3087.75	5789.74	4620.45	4757.67	3968.1	2708.18	5542.97	5333.0	5843.44	3581.17	3754.94	5065.4
LPC(16:0/0:0)	5379143.79	5016648.71	5383409.43	5514799.54	5375188.75	5112802.1	5820402.91	5501776.37	4749451.46	5156644.29	4386495.72	4956298.64	4663438.25	4481143.94	4746069.44	5106214.24	4510443.57	4146159.29	4308667.38	4434347.44	4669397.6	5144656.17	4076447.6	4362607.65	4578689.28
Dopamine	96305.7	104434.85	99124.34	89041.03	98976.63	73013.62	88838.87	78470.77	83708.36	77245.77	78071.04	94487.45	85776.49	79863.92	98900.77	93946.72	85649.62	45076.32	104501.8	67001.44	101124.68	109702.86	75221.61	90007.33	158812.24
Norvaline	67656.82	44591.2	69389.54	63198.25	53124.47	57645.65	32019.86	72145.95	69595.13	76073.84	61031.24	24381.16	62925.71	68780.98	69480.06	66040.29	82782.4	36899.04	72162.25	67527.38	69800.87	68050.11	27693.04	63458.88	92512.57
1-Aminocyclobutanecarboxylic acid	190980.54	184152.96	147321.3	160465.22	164643.77	175078.36	151714.35	165167.46	168868.76	155191.83	162037.86	143680.48	139064.54	151216.72	166708.0	128817.56	164115.5	148711.99	157300.93	149229.12	155305.8	171409.45	129448.49	152770.2	254122.04
LPC(0:0/20:4)	28033.15	44851.32	43173.78	15530.9	21057.06	21988.12	11898.48	34997.26	35948.86	11099.97	7653.27	13059.9	14123.42	9287.18	8725.83	6662.88	8381.82	6346.69	10337.07	3089.54	6524.68	2360.89	6125.19	5573.99	2363.05
Hexaethylene glycol	16090.01	15741.64	14722.42	16546.87	14996.82	18469.6	22597.67	16531.55	19566.94	19660.54	19559.22	15813.29	14613.17	14757.21	14180.65	14994.8	14409.01	19253.48	14383.92	16407.27	13462.49	13001.57	17747.25	14564.05	12914.31
Heptethylene glycol	25073.29	26040.21	23669.72	27507.98	25238.67	33984.61	36179.09	27937.13	31660.12	35940.87	31753.05	25986.35	22225.94	21167.69	22465.86	23308.01	23278.31	32806.16	23690.18	29034.41	22307.95	24324.08	29392.91	26069.49	22271.53
Bis(2-ethylhexyl) adipate	15519.28	13127.69	18039.52	13669.73	11104.95	10191.45	4883.36	7730.95	10061.18	10988.27	7970.28	6309.86	10098.01	5562.28	7069.04	2235.13	8383.23	5252.01	1928.05	1168.77	3003.75	2303.87	5125.65	955.93	3308.19
Norethindrone	15088.27	25246.64	12737.93	17143.63	14017.32	22316.5	18418.34	16572.61	16223.1	21718.16	20243.09	17624.16	12814.06	14766.47	14072.14	16276.37	15070.68	14379.03	15645.09	21235.06	13542.28	14535.16	19958.47	18841.56	11605.78
11beta-PGE2	17984.54	33012.21	25619.34	20422.09	22600.42	36065.91	39844.55	36543.77	32862.9	30497.6	23163.47	18705.59	13899.56	18954.35	24766.39	29081.15	26417.3	30486.21	32433.0	29474.69	28751.8	20349.18	20014.02	27281.52	18684.5
prostaglandin D2	52898.53	92858.53	69721.92	55432.95	59096.06	95646.53	107833.51	99597.37	95502.35	116012.17	61455.12	53051.95	38783.99	52073.22	68486.78	79569.53	69739.3	85221.75	83144.34	104056.7	67326.15	50480.13	49429.16	68665.54	48609.06
2-Hydroxycinnamic acid	155776.32	162163.68	146716.16	136700.75	150997.11	116117.74	69917.24	136004.26	138271.9	121943.11	124112.59	141401.85	135253.93	136103.35	160981.5	151288.81	175325.21	99515.71	180397.27	110655.06	154129.71	176164.35	115909.84	143789.78	238758.41
"3,6,9,12,15,18,21-Heptaoxatricosane-21,23-diol"	39606.59	38266.98	36372.12	42737.54	38643.25	49654.15	49671.22	45017.08	47183.17	52637.39	52805.24	38208.83	34882.64	33579.2	33557.17	35977.99	35462.39	45156.54	33223.01	44041.22	32352.74	33777.32	44246.18	37139.28	33044.77
Carnitine C12:0	14748.66	9329.34	6780.17	12482.88	6939.05	6583.85	4722.09	4236.32	22046.43	20170.53	10335.4	16065.97	9028.68	14978.11	11553.7	9386.61	6923.87	17752.59	6227.08	7821.63	7070.11	1698.9	4650.71	7616.62	6251.12
Bezafibrate	18151.32	17011.14	14710.78	16326.93	17180.64	15541.42	18300.45	16094.9	13243.64	14724.04	14651.89	14870.91	14815.74	14061.87	14562.83	12707.95	13521.2	15209.82	14486.56	13798.15	13825.28	12785.12	13590.12	13329.76	12893.75
Tamsulosin	15206.86	14218.16	13691.28	16150.05	15028.59	18312.13	19428.52	17248.55	17893.87	19174.75	19322.26	14498.56	13175.06	13728.29	14098.24	16383.5	13745.01	19334.5	14523.55	16464.72	12210.39	13637.1	17240.74	14150.69	13191.44
LPC(O-16:0/2:0)	102366.11	57739.91	162480.03	164408.46	157833.17	45170.65	125019.84	130597.69	136068.79	137183.92	120667.32	65718.79	10614.7	11765.21	20648.42	4761.46	4665.12	4799.41	6512.87	5184.55	46482.68	108794.59	53348.47	13080.58	86061.01
Tropicamide	8044.57	6262.76	6936.97	10140.31	11063.36	6273.79	5026.38	5398.72	8386.87	7424.29	7041.71	9113.32	7750.23	3156.13	6891.84	2004.33	2489.69	5998.88	6290.03	7594.95	5233.13	8921.93	9712.04	3594.2	10897.39
Penciclovir	20252.18	17344.45	18713.12	15819.4	17270.74	15902.46	16503.97	17747.99	17777.17	19908.53	19813.7	17684.78	19869.82	22850.63	17337.75	24165.23	23014.39	26387.18	21391.49	20735.39	28965.23	24931.54	20750.83	26240.53	30431.23
Phe-Asp	4656.33	3157.3	3084.44	910.4	1884.44	4947.88	3296.21	2393.89	2050.48	1162.3	1310.52	1987.63	2099.35	3362.77	1683.71	4113.83	4493.72	3853.63	2989.26	3963.82	3847.81	5056.03	2213.45	3409.64	7175.85
Mirtazapine	60273.03	54818.3	48491.53	59228.82	48890.68	83921.48	51572.51	58491.18	65708.94	87047.56	80741.96	52183.72	48966.75	43185.63	45713.91	54699.82	50464.42	54311.34	50022.62	69329.9	44586.04	54878.09	95467.36	64253.02	51733.52
7-Methylguanine	2625.49	2290.96	1802.59	2304.28	2964.16	4490.47	4324.73	3213.1	3227.0	2234.29	2423.68	2592.64	3920.94	1459.57	3337.08	1974.66	1147.97	2457.8	1979.36	1988.86	2430.22	1890.23	1045.02	1998.98	3219.87
2-Piperidinone	68001.15	62811.52	55751.1	72116.91	55552.07	102245.92	62118.5	65909.94	78539.41	96299.7	91440.54	54975.55	54408.45	46271.96	49708.5	56143.59	57141.17	60120.44	55635.94	73389.41	47172.53	58445.09	86422.41	63755.83	52265.91
LPC(16:1/0:0)	2371974.94	2066650.98	2040863.07	1901003.73	1960507.66	2742378.2	2456065.83	2408947.51	1649699.04	1779301.6	1728806.32	1707557.88	1745084.92	1314959.41	1568723.0	1270495.23	1277600.48	1117646.82	1047730.58	1163203.02	782418.53	1286495.05	777100.57	1022458.87	1240056.2
Psoralidin	1358.66	2823.13	2987.42	3827.59	3726.01	4406.81	5861.97	2572.3	4291.8	3857.99	2859.34	3505.61	5465.43	5877.91	5927.88	6895.85	5655.81	7844.52	5926.03	4987.48	5849.66	4891.0	16649.97	5845.71	6962.69
"2,3-Dihydrobenzofuran"	57839.5	54557.31	50159.44	52800.81	59493.06	44795.99	41644.8	58195.94	59218.97	53352.83	46421.05	46843.53	39755.61	45114.52	49249.19	45512.17	47486.15	44413.56	54929.89	52369.27	43326.36	55689.12	40286.78	45814.64	77482.35
N6-Methyladenosine	1103.13	2966.41	1650.28	1964.9	1171.79	1308.26	2316.14	1761.34	2707.93	2194.24	2842.05	3063.35	2219.73	2424.27	2546.28	2179.34	2655.29	2599.45	2970.18	2827.53	2422.55	3051.23	2961.0	3132.68	2658.33
13-Docosenamide	8723.33	8347.09	9412.33	20752.66	11875.68	14337.88	2857.09	7113.26	13065.02	14957.29	9542.43	15776.51	64517.83	17873.3	31941.85	18144.36	47296.14	19325.3	10135.0	20374.29	15335.66	12563.73	111842.16	183975.31	223007.52
Pyridoxal phosphate	2774.22	3353.0	1210.26	3881.87	3042.12	4157.02	4952.05	4887.09	4170.45	4201.51	3846.93	3966.41	1417.57	3372.59	3581.11	4332.27	3632.32	3487.34	3163.48	4051.43	3434.45	4561.75	4694.42	4525.75	4462.38
Phe-Pro	23648.98	24102.84	21910.28	21550.54	28318.59	17083.15	5137.0	22589.36	23784.39	18965.56	28474.8	27378.56	31773.94	30181.44	30596.79	20690.49	29892.42	8222.67	23511.77	14536.1	23954.38	32916.36	19370.13	13710.22	30258.53
Choline	628691.21	477529.29	360008.8	463525.04	330887.14	480087.15	562097.2	323128.49	429367.13	416169.29	501448.22	451303.59	456541.38	462625.89	449147.17	382821.24	394890.77	374506.26	348085.5	376998.92	672438.67	525870.44	383604.39	253940.76	270804.65
Shogaol	52471.14	55344.85	47926.03	51864.66	51724.9	59494.9	62430.49	92541.43	62212.09	73830.96	80422.06	62864.26	54968.04	47758.14	60208.07	56257.85	70212.99	60874.02	55910.1	74124.85	47010.27	56851.91	59451.28	68034.88	57469.53
Allopurinol	33003.42	33903.77	33438.64	32808.18	41110.85	34712.93	27441.8	33818.7	43157.25	37256.55	32168.76	42119.03	27191.85	39474.07	49049.83	20139.88	36188.63	2030.78	46170.45	37226.35	46433.83	47331.95	48687.65	43790.69	52253.88
Tyrosylleucine	4082.71	3417.8	4281.46	2943.79	4467.02	3444.21	1593.84	2535.72	2803.68	2601.07	1704.78	4062.87	6413.97	3077.31	6367.37	3147.14	4224.2	3952.94	4478.51	2643.09	2091.6	5523.03	3123.8	3853.64	8071.86
Acetylcholine	45067.22	54363.3	35558.51	37103.93	45475.9	29375.8	18481.63	34532.13	2918.24	25074.15	51074.12	53230.68	57773.45	47385.91	41979.12	38844.79	51256.19	26497.19	31270.75	19321.66	23772.64	49862.05	35568.89	57171.28	45252.55
LPC(18:0/0:0)	5896.66	6664.15	4870.72	6413.38	5435.7	8953.87	6239.18	6758.49	7864.35	8976.38	6929.49	5033.67	5242.13	4167.11	4830.73	4965.67	6224.63	5073.1	4939.76	6807.88	4473.09	5189.1	7511.85	5554.61	4934.36
LTB4	8789.78	10279.57	9433.31	9795.19	9001.08	12651.0	11715.32	13136.69	11553.91	16797.0	13002.87	15046.34	8331.55	9813.86	9972.34	14204.3	10848.12	10499.61	9658.13	11784.5	14011.22	10143.6	21610.75	12711.64	8974.27
Enoxacin	15434.84	15503.78	15764.91	16385.51	14921.17	18655.36	22057.59	15535.59	19305.52	18607.02	21011.7	16295.03	14782.67	14217.13	13408.62	15455.24	15986.93	21844.93	14295.12	16469.42	14493.71	14474.74	16801.68	14890.96	13650.51
3-Methoxytyramine	12579.21	12364.39	15872.38	11426.16	12836.75	9818.37	8314.68	8122.03	10268.37	9063.98	13291.75	7860.14	4491.25	6116.32	4398.83	7330.35	4533.13	5716.11	10109.84	10120.07	8159.78	7865.67	9022.57	1423.78	13788.63
PC(12:0/12:0)	11210.01	12769.22	14115.77	11363.87	19481.25	3617.73	11676.36	4801.74	12512.64	13379.0	9526.67	9736.48	6717.21	6054.98	5230.02	4375.71	3500.47	3477.71	4990.33	2156.2	6285.75	5883.82	3309.92	7855.8	7606.37
"2-Hydroxy-3,4-dimethoxybenzoic acid"	1208.96	1134.77	1131.97	1646.23	1260.59	1565.84	2215.65	1655.15	1892.34	2201.14	2478.76	1626.79	1887.47	1756.38	1150.39	1500.72	1854.06	1527.61	834.56	1352.14	1445.93	1469.27	1921.35	2782.49	1671.41
Medroxyprogesterone	2948.26	4049.2	5407.19	3685.0	4961.74	4549.0	7204.83	6265.71	5564.39	7259.54	4157.63	2724.57	1173.1	7681.56	3045.38	8745.18	8363.46	6520.09	4386.29	4931.47	4298.22	2407.37	3429.3	3509.35	1970.61
Loganin	13150.83	12159.65	12885.91	12066.97	12600.92	13683.23	12193.65	13524.53	11642.43	10678.36	9966.66	8020.48	9451.27	10431.47	9543.31	10658.65	9499.13	9139.46	8277.29	9784.83	8967.4	10109.57	8225.78	10241.28	10388.57
Carnitine C2:0	14995.95	13554.74	10949.94	15638.1	13000.64	15920.78	3379.82	11756.36	15072.77	24262.84	10063.95	14137.23	13735.34	11295.91	13019.61	12079.84	15021.65	14558.57	13554.27	33895.61	10270.72	8587.12	9467.99	13023.01	21201.7
8-Hydroxyguanosine	43170.83	30706.25	37366.14	41807.7	43887.89	124257.55	63237.1	71102.72	73357.02	65334.41	59787.73	83944.09	133756.16	66062.42	107360.14	93237.23	84658.94	49662.84	59810.67	73135.42	48662.02	69941.99	52436.67	75436.88	138061.87
Piperidine	244541.65	234998.14	191110.26	190540.85	211639.26	196870.21	130765.68	214133.24	244861.87	221530.41	185691.56	165617.4	177553.79	188484.52	218469.61	181571.75	219781.35	207550.62	240559.07	210990.1	192237.63	222751.71	167027.08	202741.3	367896.31
Carnitine C18:2	25770.5	15784.49	21084.31	30466.01	25987.27	12807.87	14231.5	11575.49	47737.86	31003.74	17140.36	17251.62	19179.19	19111.91	30336.3	26735.22	15163.58	44132.14	16307.22	25770.76	15428.65	13756.85	25133.84	18875.82	12080.23
Pazopanib hydrochloride	78912.42	77899.67	81932.29	81451.15	82180.29	75636.61	93434.6	76791.97	83042.46	79764.54	81865.99	86977.72	83957.05	81726.22	77113.32	77848.86	81791.37	96714.43	77687.87	91507.19	85007.67	92000.28	83894.76	85761.42	87810.04
Xylitol	72118.73	82590.36	76563.4	79960.04	72529.64	76911.89	79890.18	81330.77	82770.02	79770.08	87176.67	82529.99	89120.81	84662.04	90554.44	88187.85	87314.31	87018.15	81372.57	82999.41	86454.12	81056.78	87915.53	91724.09	84179.3
Astragaloside IV	8387.8	8979.7	6178.82	8879.64	7871.1	12379.94	8433.22	11715.06	12744.04	13047.86	11775.1	8565.43	8004.31	6953.9	8617.28	8089.4	9358.21	7433.47	9618.19	11227.53	6619.73	9745.37	9975.48	9680.41	8347.14
o-Tyrosine	184357.56	186043.71	166005.96	157340.27	146755.78	119835.62	102073.32	139697.35	143280.41	114895.83	153489.98	152234.4	155354.18	145037.38	186159.87	151187.99	205328.73	128983.67	191418.98	111031.85	139861.94	175093.82	108068.94	160462.34	232895.6
Prostaglandin K1	39355.72	71107.19	52419.59	39605.99	44490.66	73994.83	79789.92	79290.83	71428.67	62870.45	61383.81	51264.3	29408.76	36301.61	52465.08	59970.09	50071.44	86655.0	64948.98	60872.99	50058.29	38281.57	36691.25	51104.52	37044.2
Lithocholic acid	1146692.46	1161903.67	1153639.97	1169011.12	1149813.14	1138982.95	1174528.02	1162266.43	1094925.22	1167240.81	1140841.99	1149143.6	1177354.45	1181410.96	1177842.52	1190967.8	1120140.78	1203473.85	1150426.55	1187312.41	1184408.88	1195965.5	1164156.2	1168389.72	1213551.0
Methyl benzoate	8841.53	8385.3	9848.13	11335.04	10926.07	9651.02	7384.04	7500.23	7761.19	6654.15	8513.21	9274.46	8200.71	6081.13	8060.94	7950.86	5894.32	5691.96	6634.84	7477.55	7614.84	10821.84	9313.81	6255.9	8656.62
Piperine	6438.89	4651.57	2481.22	6100.77	4583.98	2686.48	4968.31	5913.68	5690.07	10593.32	6471.54	5146.62	7663.94	6619.21	3118.72	5561.52	5867.36	5333.06	6830.34	6455.63	8243.52	6816.91	10507.19	6232.87	4199.27
Itaconic acid	7121.21	9083.01	7420.64	7295.07	7973.88	13506.57	10937.77	7035.74	8720.5	5734.95	7916.07	9237.0	5953.04	9171.44	11775.67	5066.69	5702.29	11837.5	10215.29	6962.18	10927.44	9923.71	18084.31	13096.16	20209.71
Trolox	66626.93	92497.66	122319.56	49688.45	79102.75	75466.66	26559.8	44748.27	63534.1	67281.55	22355.66	22367.75	21498.59	24096.31	21067.52	28013.47	19308.84	31474.05	13935.04	10251.02	19266.46	9708.66	17089.08	23009.95	16262.81
Tetradecanedioic acid	64641.62	61567.02	66315.51	63423.89	60662.71	59765.37	94045.85	60850.8	56414.5	65236.22	65039.44	62479.22	64234.11	64586.17	66991.59	57615.19	47065.88	76010.74	49424.67	52648.89	47313.11	48038.93	50137.78	49989.09	50893.35
4-Hydroxycinnamic acid	21337.49	23372.53	19864.51	20488.81	22257.72	17686.14	16670.54	18039.47	21426.51	15463.18	17059.33	22008.35	19223.22	20769.63	22660.64	20707.63	24306.38	14221.16	27224.95	15689.03	23675.8	24584.01	14606.87	19251.64	33789.7
Phenylalanyltyrosine	31589.0	29561.39	29453.92	30976.8	32673.18	30988.01	48086.99	32801.38	31934.1	32450.72	31965.15	31821.84	33017.24	35118.43	34153.57	34641.42	34548.91	51362.97	33501.78	34390.26	36675.2	36186.41	33332.37	35829.18	35436.44
Thalidomide	9748.13	11580.18	11617.71	12663.61	12304.01	15719.9	14880.13	11924.43	11860.72	15252.83	14131.22	11496.46	11397.23	11092.89	10710.22	11854.43	11341.19	15641.44	11364.12	13050.21	10070.76	11825.25	12849.18	12498.13	11725.16
Doxycycline	25387.34	37655.23	44632.22	35508.73	34332.46	67377.48	82994.49	51960.25	38086.56	84228.39	54341.79	30069.16	13412.65	192060.14	61310.21	260924.96	156655.08	84600.54	42377.7	45014.53	79231.7	20607.87	30517.74	157037.37	22962.76
Etonogestrel	7360.33	5486.44	4594.37	5762.12	7790.76	4129.6	4447.22	2640.9	4201.68	3369.52	3592.15	3993.13	4319.74	2783.99	4365.31	2439.1	1424.91	2564.36	2963.13	2586.45	2434.31	3800.46	2664.54	2306.85	2441.42
Oxibendazole	2422.52	5424.91	7003.82	2801.46	3571.06	5985.42	1821.38	1529.94	1601.4	4471.09	2468.14	3107.63	2567.95	2660.52	2446.27	4204.99	3378.5	1887.01	1832.86	2652.82	2960.13	2860.67	3000.98	2935.0	3196.52
Succinylacetone	28299.03	27681.01	26419.4	24368.97	26773.41	25528.77	11842.6	25665.73	24885.56	20962.76	22419.55	27977.11	23000.83	23758.9	27179.3	26442.87	30223.45	17393.97	33321.92	19470.19	28405.17	31146.48	19930.38	25782.36	40501.05
Sulfameter	5426.29	5740.18	4075.7	7248.27	5960.22	4279.98	885.13	4058.26	3660.07	3084.68	6662.64	5139.7	7304.43	3252.36	5189.63	6554.06	7131.05	3842.53	2940.18	1893.68	4372.27	4807.93	4965.17	4607.75	2933.99
Ranitidine	58313.47	60898.84	63184.87	57848.12	59081.19	58720.73	56012.94	57609.5	56765.85	60929.08	57004.2	58867.95	56463.03	57694.83	58586.24	60723.64	62173.87	56740.91	62331.21	56884.17	59973.74	57335.8	54024.09	57295.58	57902.88
Suberylglycine	2520.67	2556.19	2426.37	2777.74	2783.43	2593.24	967.74	3061.74	3338.59	2944.6	2878.92	724.46	3056.23	2730.44	3117.43	3293.83	2459.36	1587.45	3318.92	2696.29	3378.09	3020.63	3722.6	3116.16	2586.8
Oxybutynin	10214.48	10286.86	10999.53	11151.06	10435.58	10524.88	15749.32	10976.84	11215.7	10312.53	10030.37	10058.87	11002.58	10356.25	10763.49	10411.66	11124.73	16906.93	11469.81	12145.84	12865.5	12460.12	12012.16	11560.81	11408.69
"5-Methyl-4-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-YL]-1,3-benzenediol"	1213.95	1761.79	1503.27	961.05	710.91	2053.88	2086.1	1421.16	2189.44	2686.73	1910.91	3501.57	4482.63	2707.89	1813.43	2815.7	1911.33	2769.17	1187.86	2210.5	1441.53	1204.87	530.73	2347.34	2857.62
Tilmicosin	15994.73	16879.64	17196.3	14511.45	16286.93	17579.03	26439.88	16950.94	19717.11	20381.69	23557.32	23958.04	24796.37	24933.8	25428.97	23555.86	24866.59	36254.72	28231.71	29815.75	24675.69	26193.35	25784.47	25199.52	27193.36
Euscaphic acid	19451.79	21513.11	16678.45	21092.31	17308.26	27801.26	19116.58	23878.86	26234.61	28384.98	24737.02	17924.48	16774.89	14749.55	16421.28	16515.31	19208.37	18541.55	18300.49	22925.62	15426.42	17383.72	23680.93	19462.98	17070.08
Busulfan	73437.25	69183.95	65442.81	67242.1	76251.47	58506.99	58085.32	75412.45	74995.16	67383.82	58373.89	60170.92	53698.53	56844.67	64667.0	55795.87	63972.55	62267.21	69162.73	68411.61	58391.48	68211.04	52117.24	58325.73	92028.07
Benproperine phosphate	2180.01	2385.97	2089.09	2723.7	2618.33	3412.56	2394.61	3187.95	3397.43	4077.71	4073.75	1257.59	1816.6	474.08	1953.77	795.32	2298.72	985.63	2101.91	2570.51	1033.5	2270.28	3060.75	2259.46	892.57
Polydatin	11571.85	11089.58	8752.13	11242.45	11451.49	11897.51	11870.33	12481.19	10518.48	13107.52	6075.67	12099.46	12424.29	12578.26	12148.27	14567.64	12143.42	12698.14	12302.51	11496.9	11510.88	11662.42	11836.21	10068.03	11285.4
Ursolic acid	93677.88	93340.0	101735.81	100297.46	94440.11	100463.2	107819.6	110176.94	100921.9	103544.51	104975.59	105155.48	110064.52	110084.89	114303.56	104622.18	108442.92	109996.62	109221.63	110437.01	116938.64	110537.48	115467.34	115045.13	121714.13
Leucomycin A1	18725.08	16783.45	8000.44	17297.09	13270.73	21677.35	18740.25	20353.98	20686.23	22994.39	23235.9	13736.48	14593.7	11471.7	7639.7	13679.2	13297.19	19381.89	15757.88	21971.94	16667.86	15574.53	20147.89	21082.29	18474.75
1-O-Hexadecyl-sn-glycero-3-phosphocholine	10848.23	11278.29	12003.39	10531.84	9560.87	10410.66	13656.68	10855.61	11208.16	8876.32	9172.69	11057.33	11910.84	9366.25	10416.83	9217.33	10000.95	11198.17	7682.25	7133.81	10177.38	8158.43	5858.99	7595.14	6428.1
Terfenadine	18938.3	17036.94	20439.78	20288.89	20819.77	21623.96	33472.24	23263.36	23974.46	24783.26	28846.68	26165.48	30009.77	31190.4	27118.08	26931.89	26203.76	40578.95	25952.48	24908.43	26045.85	22122.15	25176.93	25614.17	22667.6
"1,4-Dihydro-1-methyl-4-oxo-3-pyridinecarboxamide"	23795.98	25591.88	19414.47	25378.26	19481.74	22769.16	152221.52	14696.7	15634.7	17971.59	28600.27	29533.73	24241.78	23661.6	21701.43	16330.12	22018.22	229992.64	20054.82	9655.11	15205.54	12970.99	15314.15	12009.55	16634.05
Stearoylethanolamide	9710.05	9446.61	8129.61	8252.78	8867.1	4665.51	5096.44	4487.71	5935.46	5171.04	2917.71	3245.29	2237.14	2770.33	3371.49	2899.99	2753.31	3100.59	3467.59	3964.91	4065.87	6536.96	4016.47	5323.79	5034.27
Berbamine	5265.97	5773.71	4317.37	5145.43	5195.74	7779.39	5116.04	6352.8	7058.26	7891.12	7367.87	5284.52	3360.58	4986.95	4619.7	5446.66	6271.84	5791.55	6073.17	7273.99	4789.86	5874.57	6949.05	6238.6	5526.02
2-Thiouracil	9191.77	7143.51	7986.15	8253.29	7318.8	9819.79	4015.95	8782.95	8482.07	9218.83	10050.83	13446.1	14041.96	9666.94	13510.08	7392.76	12310.27	5236.02	10598.26	8885.64	12845.86	13478.56	13580.99	9849.9	12774.31
Formestane	12449.56	12009.12	12339.26	13496.88	10801.41	18256.93	11218.01	13589.62	14689.41	17821.02	16371.39	12969.85	11269.52	10238.83	10298.74	10986.58	11301.24	12685.74	10211.19	12020.93	10398.93	12508.72	20065.22	14729.32	10216.46
Ciclesonide	11193.48	10767.31	10395.39	11585.15	11767.81	12323.24	12547.0	12147.56	11674.44	12577.29	12572.23	11418.74	9808.72	11097.92	10768.17	12263.97	12113.19	14696.11	11726.37	13693.9	10951.92	12229.95	13525.39	12661.64	12736.09
Ochratoxin A	154560.08	156298.55	156321.51	153685.63	153546.08	155101.47	199658.9	151854.31	146266.1	151261.19	153498.51	164789.65	165951.2	154229.32	159799.41	166267.45	159787.73	199391.54	152287.91	159428.67	164146.53	163655.88	155504.69	157103.34	158289.54
Triethyl citrate	5136.53	4065.2	2509.61	3117.95	3996.72	3318.56	2081.8	2902.04	2606.44	6232.96	4164.56	4126.69	2175.19	2232.72	3496.42	4300.97	2792.45	4488.25	4629.24	5038.67	2450.24	6766.56	11118.05	5019.37	5397.93
Carnitine C14:1	6694.08	3241.77	5821.71	11704.28	8928.23	3212.96	2967.71	1709.76	3828.69	6009.66	6533.95	10083.68	5243.61	7417.18	3759.46	3606.97	3335.59	5473.76	2980.78	3757.15	1472.15	1818.74	1136.33	2906.73	669.13
alpha-Hydroxyisobutyric acid	8807.12	9437.26	10039.35	9181.99	9337.1	8544.35	2159.23	10061.83	9270.75	9078.93	9090.23	9865.93	9376.04	8913.28	9154.09	8987.48	9157.84	2740.75	8938.89	8330.54	10223.2	8939.51	9394.44	8935.98	7451.51
Daminozide	15460.83	15823.62	14371.39	15700.04	14841.06	16309.14	18369.04	25865.78	17310.67	20546.3	22304.29	17798.07	16751.72	14450.19	17742.49	15534.07	20060.51	18621.18	16139.52	20089.99	14462.96	16369.9	18122.46	19620.17	17419.07
Melatonin	934.53	615.78	1091.11	3108.51	2491.08	3422.93	3548.21	3946.39	4421.42	3937.58	757.47	2242.65	1641.07	1896.16	2513.37	2788.65	2365.22	2335.34	2084.5	3937.27	1907.36	2802.83	807.21	557.81	2167.56
Hydroxyurea	24606.42	21356.98	20553.48	21481.12	20462.31	16151.64	19239.56	21733.85	12560.85	12178.77	37709.83	12011.69	24935.94	15267.05	17276.46	30642.45	14179.43	17496.87	12688.83	11875.19	12116.61	36608.03	16825.72	14047.48	13899.93
Oxethazaine	5037.68	6814.91	4758.25	1820.86	5005.59	8840.84	9657.22	8508.21	9038.88	9293.34	12264.27	8596.63	12851.35	11569.81	9924.52	10624.34	9359.05	15962.86	9275.01	9820.09	11104.01	8092.51	10045.51	8117.28	8850.24
10-deoxyformamycin	6053.92	3229.54	5137.01	2354.24	4698.37	6802.41	6737.62	6898.97	6625.94	6876.21	6212.75	4852.93	4768.47	5922.03	5163.07	6346.21	6319.52	6913.82	6101.0	5219.72	5028.87	7047.73	7386.26	6909.52	7256.58
Gemcitabine	2318.49	1653.85	1025.15	1218.18	1612.89	3707.46	2714.41	3072.02	3690.32	3607.51	2828.68	3116.25	2993.05	2451.76	3560.83	3911.06	2992.91	2662.54	2795.19	3161.31	2858.81	2963.35	2296.56	3671.92	3849.58
LPC(22:6/0:0)	4556103.23	4082501.58	4257762.2	4361615.89	4678682.89	3011299.45	3123566.23	3477016.56	3300238.63	3656603.74	2626286.71	2810423.66	2220661.1	2062906.42	2080027.26	1737162.06	1797192.88	2123888.92	1898842.52	1924563.57	1623355.01	2711388.92	1720330.14	1635213.65	1752729.0
Etodolac	4703.89	4170.29	4153.81	5354.12	4753.14	4912.97	4962.61	4623.45	5115.31	6196.55	6146.07	3817.15	1720.12	3909.85	3075.88	4649.35	4229.43	4507.89	4439.29	4712.36	3959.1	2829.91	7745.47	4943.56	4636.14
Azithromycin dihydrate	680941.25	817056.27	708459.1	821434.0	766986.86	921015.86	817780.47	931165.46	959541.96	1136134.74	876157.14	745508.44	763476.41	683192.72	724638.64	707024.47	753290.63	762226.64	754159.79	911304.46	679356.05	830806.82	803360.12	851091.77	810013.49
"Methyl 2,4-dihydroxy-3,6-dimethylbenzoate"	55758.24	52679.19	42783.84	44170.97	40493.7	74271.7	59044.09	51560.97	41347.97	55960.5	49294.18	40162.26	48529.82	94448.07	54234.56	60323.08	93567.46	78924.47	55198.97	51068.58	64955.38	55453.17	65895.22	53318.22	100938.77
Estriol	10137.46	9485.31	9138.19	9061.57	9005.51	8548.53	8654.9	8414.83	8966.22	9052.08	10249.2	7644.11	8329.23	12788.98	8762.58	9477.42	8589.66	8032.36	7991.27	8291.73	8850.11	7905.13	9032.63	9050.55	8324.32
2'-Deoxycytidine-5'-monophosphate	130053.74	153295.22	132917.82	124862.09	129301.45	136113.08	76511.35	189010.77	177640.35	142932.22	153788.11	167658.94	155872.65	167526.18	176245.68	170530.6	210549.26	104169.17	187435.84	179321.59	174419.23	179023.21	210248.55	195106.78	184758.78
Telmisartan	41369.54	36465.86	34485.61	33628.06	35013.0	39416.64	40064.42	36162.53	21934.06	31338.37	26264.48	23724.53	27232.42	21225.16	23573.4	20693.48	21181.72	19998.29	12511.14	19600.16	13440.87	17941.05	12594.66	17609.26	19007.43
Sumiki's acid	102885.33	95478.56	103471.56	97583.27	105345.1	106251.01	155613.16	97638.56	93750.46	97172.22	88719.75	93628.93	115936.45	92646.68	101222.99	90720.59	99626.84	143912.24	93969.28	94225.85	98126.64	102067.08	94440.75	100080.96	111332.16
Idebenone	6807.65	6595.95	6344.52	6226.71	6455.46	6696.44	9584.61	6342.58	5996.49	6592.93	6763.94	6256.48	6962.35	5552.3	4839.07	6998.84	3920.09	9977.95	6989.78	6089.76	5736.15	5956.14	6126.89	7056.77	6578.81
Hordenine	30111.03	30726.01	30829.62	30034.78	25682.12	33734.93	15488.08	28915.16	16216.38	29913.61	33089.44	36419.5	41477.94	36800.24	36629.8	33688.67	35120.0	19718.07	33321.67	30841.66	34183.15	31253.76	34088.14	37150.47	31910.58
Rutin	4903.98	4760.47	4034.01	3715.16	6248.37	7186.46	5360.0	6739.53	8295.83	4996.86	4626.7	6008.66	3925.91	2586.21	8254.41	4281.96	8595.84	4625.73	9080.86	7546.96	6602.04	8440.49	4873.98	5563.03	2838.14
1-Methylxanthine	748092.76	729165.58	609399.25	705627.34	650137.5	651464.39	56644.37	657550.65	659713.23	770055.99	716898.19	1133389.4	684635.88	810243.39	791851.12	860925.95	929371.05	120465.37	732594.75	755653.74	877922.22	766617.05	875136.37	701512.4	860263.56
Fenoterol	2178.21	2571.22	3202.76	831.31	3326.01	3752.06	5753.61	5735.58	3848.09	6408.75	3243.65	1895.41	555.35	7743.27	2513.86	9620.19	6112.27	4889.75	2786.78	3979.95	3832.87	930.92	1698.78	5992.63	2500.84
Adrenosterone	12978.23	17521.02	14414.46	12125.55	14458.78	11778.25	20770.04	12480.0	12448.08	12367.69	12513.17	10435.94	10588.28	12047.57	21747.41	5755.83	13538.17	17225.85	11569.45	11159.28	12059.2	13096.28	7328.39	11744.72	9417.93
Palonosetron	11954.94	7039.44	14063.65	13585.14	10536.62	17234.8	22068.29	9788.31	15402.12	17161.52	16048.39	15205.16	18803.79	16151.32	18775.43	18209.04	20043.14	15564.82	14500.19	19217.05	21200.68	18639.87	21757.68	22534.03	13005.19
Glycyl-L-tyrosine	3429.9	26811.79	5855.99	7455.72	4693.0	3417.57	3500.72	2512.36	7133.01	3266.59	1957.81	1072.25	539.88	693.33	4198.74	1566.5	1071.45	2716.29	2755.57	4825.3	6488.07	536.16	5500.86	1034.16	2829.63
Chlormadinone acetate	391.79	113.51	363.9	502.17	559.92	15.45	15.45	15.46	15.45	284.86	15.45	169.21	15.45	15.45	15.45	15.45	116.63	77.27	15.45	15.04	15.67	188.66	15.45	15.45	385.88
Tropate	1285.12	1639.89	2204.01	1746.01	1839.18	2887.61	1400.63	1685.19	2526.62	3112.8	2629.13	2058.25	1754.39	1410.52	1466.25	2194.24	1791.0	1446.98	1114.87	1393.66	1267.1	1805.14	1883.71	2264.55	642.38
Pinacidil	10447.84	6492.01	13790.26	10473.73	13977.77	12182.09	11819.41	13582.54	17540.81	15981.45	12348.91	9138.92	13658.75	10876.38	8043.94	12658.07	12241.39	11876.46	5010.7	8310.88	8113.36	5913.44	9282.68	11677.16	8437.68
Arecoline	5556.24	4705.44	4136.08	4630.73	5433.47	7132.14	4452.68	4828.27	5349.02	7532.21	8144.31	4149.7	3597.21	3267.5	3826.77	1943.68	4143.86	3535.34	3894.9	6725.27	2983.94	4861.97	5174.72	4559.0	2138.57
Buspirone hydrochloride	6020.42	5865.96	6003.7	5422.78	6337.34	6166.7	10082.74	6756.57	6903.28	6430.86	5836.64	5753.36	6459.18	6530.52	5733.3	6048.82	5841.73	9947.85	5417.97	6090.73	5509.64	6068.4	5970.69	5955.37	5899.18
Delphinidin 3-sambubioside	60170.46	45037.35	43955.04	44426.56	42145.74	25747.09	17130.08	31825.6	36072.32	50359.93	67712.3	60984.03	22351.98	62260.93	42368.78	59542.45	67665.0	40565.48	50277.09	62334.35	62895.09	62629.13	59371.2	70703.84	64338.93
Glycocholic acid	15288.97	17334.21	18199.47	19729.99	19488.68	22490.82	30533.73	21080.93	21665.34	23649.49	23754.32	23673.19	26870.33	24692.35	24843.62	23268.42	23363.16	31812.02	21695.02	22455.09	20263.6	21336.25	20165.72	19594.7	18265.73
Cynarine	1687.39	1828.54	1586.9	1746.93	1049.87	3044.37	2155.05	4529.68	5778.53	2692.73	1441.02	1257.91	2000.48	3013.17	2741.18	762.51	1708.9	2807.63	1635.47	4632.18	2909.55	4673.65	884.73	817.07	6312.58
Dipyridamole	12821.1	10785.97	12877.33	12094.48	12717.43	15018.9	19063.16	13991.11	10896.21	13460.75	16398.33	16685.06	17210.9	15998.22	13371.8	16514.59	18722.98	25337.58	17883.32	19537.06	16744.14	13975.11	23232.23	18305.42	17933.22
Curcumin	32804.3	30638.59	36080.97	32146.8	31651.0	31364.46	46498.8	32590.92	31548.7	30648.45	32396.07	31477.4	32523.2	31587.18	32736.2	34628.92	34115.77	48118.33	34376.47	35018.34	36581.48	36677.15	35839.31	33672.77	34480.02
5-Hydroxymethyluracil	101729.9	108211.52	105974.18	106364.1	112972.46	106161.48	113458.2	106667.23	106985.98	105495.17	110888.24	111069.14	112109.89	109970.53	111980.05	111797.19	109776.46	118276.8	109864.95	111672.16	109227.81	108165.72	107290.14	105840.39	101051.33
Gly-Trp	2875.0	2033.48	2328.01	3306.57	3530.18	2705.46	2979.11	3263.48	2967.15	3228.89	3065.81	2780.39	2272.59	863.96	3008.78	3226.59	2671.84	2392.78	2122.73	3028.46	2490.31	3679.99	4312.31	3828.38	3619.02
DL-2-Aminooctanoic acid	1236.72	1946.32	1609.86	869.46	1943.39	1376.59	1023.01	1666.01	2191.19	2441.2	1888.87	1126.74	1432.88	1200.68	665.43	1440.78	768.31	1129.99	703.73	1191.78	1728.81	1781.26	2969.25	1483.23	989.01
Edaravone	6884.57	5374.57	5762.93	6022.96	6379.95	8182.88	8183.45	6751.02	6587.41	6955.21	8965.64	6664.32	5790.82	5804.02	5750.06	6954.67	6622.16	8016.35	6421.56	7598.51	6243.87	7074.61	8334.36	7642.99	5172.96
Acipimox	1476.39	791.45	2338.15	2059.3	2004.73	2340.93	2503.81	2671.46	2112.19	2522.33	2632.39	1812.71	1009.63	3317.58	2436.01	3149.9	2592.83	2147.73	779.38	2371.63	1251.95	1676.13	3254.0	2495.05	956.5
Pentostatin	2127.97	2278.56	2721.05	2473.57	3215.21	3075.21	2579.4	3393.88	3311.47	3198.36	7861.38	5546.21	7141.49	5653.81	5699.98	5359.13	6029.36	4729.57	6304.56	6316.25	6224.17	6526.38	5874.86	9174.73	7150.22
DL-Leucine	938.85	1290.62	1111.48	1284.09	1412.06	678.7	742.19	651.3	1414.67	1129.85	357.02	417.43	565.67	862.0	609.29	545.22	511.73	489.19	521.25	685.82	493.63	686.17	671.57	625.77	566.87
Dibutyl sebacate	9272.66	6857.84	7239.36	6318.46	8161.14	7440.42	15746.83	14471.91	9669.07	24055.77	6996.0	6986.91	8228.6	15608.46	9500.73	13770.02	11707.04	16780.26	7955.46	12362.35	15680.07	10186.21	22997.8	4122.53	10385.55
Mesalazine	62615.06	84187.52	58204.79	85846.08	74727.82	83437.37	55011.04	79369.94	78732.29	77454.17	60373.95	79922.47	75761.23	83861.15	84803.39	76450.82	67815.25	82516.49	37748.47	82401.77	83330.58	83267.24	84886.11	84258.46	82994.09
Pyrimethamine	9639.63	6180.6	9888.36	9595.1	9629.38	9803.58	9708.92	9464.47	9123.42	7301.4	9370.77	10179.54	10118.59	10241.56	9895.21	10919.43	9482.03	9212.55	10162.17	10430.71	11790.0	11750.04	11711.08	11007.96	11607.27
Zolmitriptan	859.36	895.14	1310.28	1900.24	1481.55	2425.55	1207.64	2192.67	2065.44	3046.45	1829.28	1230.1	1699.8	1088.06	1210.5	672.25	1677.68	2157.58	1705.27	2303.63	1335.17	957.5	2298.99	2078.4	1767.41
2-Chloroadenosine	2118.14	2132.74	3269.83	2924.89	3820.33	4127.7	5463.42	5248.77	4587.16	8213.74	5578.88	2656.33	4389.44	11029.72	3912.81	9445.21	9496.88	8286.38	4358.13	5165.3	6986.3	3224.78	3092.05	11086.57	2420.69
Atipamezole	9723.37	8541.58	9524.03	8489.17	8592.97	9191.45	12285.58	9514.7	9395.49	10645.27	10894.83	10494.35	11725.26	10758.51	11288.75	6781.08	9925.62	12545.47	11197.19	10551.02	11079.41	10185.59	11125.09	10902.32	10314.03
Ofloxacin	3897.77	1854.2	4773.63	4141.54	2230.83	2922.02	1972.92	3218.85	3983.0	1121.03	3546.91	2342.37	4327.65	5110.95	2337.17	3243.39	12437.68	4343.99	2024.44	1157.62	1061.89	895.27	1174.31	897.92	2575.77
3-Hydroxycinnamic acid	3080.77	2600.28	1911.33	2733.84	2751.11	3967.6	2876.97	2862.12	3263.8	3883.23	3617.42	2668.18	2476.63	2288.14	2456.21	2726.56	2468.15	2497.61	2358.23	3311.8	2387.77	2672.61	3843.09	2663.27	2774.03
"N-(5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraen-1-yl-4-hydroxybenzamide"	17257.3	16362.78	19563.57	13755.11	18331.22	15614.51	15987.49	15879.4	17021.37	17263.57	13807.97	15427.34	12377.61	14077.99	11692.33	15985.02	13249.78	13663.53	15398.04	11519.52	13128.78	13207.96	13007.02	16081.94	10714.78
Salmeterol	45822.68	45739.55	46705.55	46897.96	46724.55	47862.29	78273.53	47155.64	48248.37	48427.95	46635.39	46889.69	46098.42	44773.87	48096.87	44107.56	46176.34	77807.38	45851.41	45351.33	44461.06	45423.26	44376.47	46631.81	43476.03
D-Fructose-6-phosphate	73713.25	82658.86	88493.23	81674.39	82713.05	97368.19	30594.56	86179.52	99314.66	85537.34	98749.84	112093.18	87820.83	113043.88	99427.73	86410.8	118598.3	785.03	122093.19	96626.32	113172.5	104359.35	110191.69	115505.16	100480.82
Altretamine	22263.39	29709.38	26029.24	30541.44	24003.34	24015.14	43343.0	46821.83	44023.49	76550.45	52668.07	46123.12	43158.88	40606.56	33669.86	62827.65	37117.28	42818.69	40335.68	37683.74	45679.9	28867.2	61226.42	44487.65	50776.16
Dehydrocholic acid	15110.36	25784.13	18197.05	14192.59	19925.49	28139.94	40994.85	29783.36	30263.08	28678.37	28243.79	13343.65	27728.82	28572.94	29070.77	29886.19	28591.97	7493.61	30453.22	30037.78	6967.94	11219.16	10099.08	10527.66	31880.0
5-Aminopentanoic acid	5336.41	4942.26	4487.05	4368.04	5678.57	4347.37	4296.71	4861.99	5045.27	4056.5	4592.47	4676.73	4073.16	4642.98	4237.34	3993.92	4043.96	4607.28	3936.21	4600.46	4480.61	4583.47	4640.27	4712.26	4479.47
Isoeugenol	6839.18	6633.97	6838.46	6288.62	6836.43	6887.75	12736.81	7044.57	6507.96	6455.48	7611.58	6302.75	8095.95	7942.87	6775.87	7407.57	8500.62	10850.34	7121.2	7612.5	6849.29	6062.97	6698.18	8169.06	6968.23
Glycidyl oleate	19318.91	18160.45	16670.65	16700.48	19284.9	12694.36	14926.74	14637.32	14925.37	16438.73	10663.72	13102.88	9573.58	11508.63	8783.25	9344.59	10993.61	8937.31	10135.28	8602.36	10513.06	11809.74	8375.84	11252.81	12960.99
Irinotecan	2606.94	3292.0	2919.06	3330.04	3299.54	3943.67	3243.72	3462.66	4105.2	4408.96	4426.01	845.1	3359.66	2690.46	2640.24	3151.7	3177.78	3290.52	2957.37	3940.61	2543.46	2914.49	3248.87	2868.56	3231.16
Mefenamic acid	1312.79	2001.92	1735.35	1024.68	999.14	2901.24	1622.25	2533.77	2353.96	2783.11	2560.08	1009.17	2109.44	1026.37	1306.87	2035.29	2293.08	2831.44	1643.98	1512.94	897.92	2058.31	3027.46	1283.94	1158.0
Roxithromycin	47385.8	45098.56	46854.62	49538.8	44883.91	49874.72	78548.01	55457.41	54700.07	53274.38	60226.45	60561.84	64905.49	64230.05	63225.43	67785.44	60902.63	87732.77	57307.58	58676.13	60415.56	57994.07	58852.49	57909.4	57517.46
Artemisinin	38887.82	33339.97	30320.84	39467.0	31566.91	52043.99	33910.69	20474.73	42475.05	52884.35	49926.27	33832.83	30394.52	27842.49	28985.26	34368.7	31584.6	34013.96	30136.42	42480.8	27508.22	32242.39	54313.22	36913.49	31266.64
Harringtonine	1791.46	2036.98	1948.07	629.86	1700.81	649.65	820.12	1094.73	1979.9	1698.31	2058.36	1002.01	2970.33	3685.86	2846.82	2376.23	4553.96	4046.58	4666.3	3883.46	5135.85	5597.4	3527.67	4511.09	7062.78
Venlafaxine	3950.94	3958.76	9254.4	3678.77	4071.02	6589.65	14674.07	11450.07	8263.93	17145.61	5464.04	4088.6	597.45	16898.04	4476.57	17876.76	15488.79	14459.3	1846.86	4207.49	5729.9	750.31	3980.65	8853.68	1221.94
Glycine dehydrocholic acid	5712.45	4361.43	7156.77	6998.68	3792.37	7569.34	10570.44	8393.27	7541.44	8993.2	10883.97	10153.14	11991.15	10733.7	12410.67	12241.31	10185.6	15171.68	10507.29	12652.91	12985.79	10930.9	12835.64	10260.34	11104.09
"2,8-Quinolinediol"	7848.38	8358.27	10294.87	8144.48	11159.63	9321.41	12266.32	11476.96	11485.86	18826.43	12238.99	6755.87	3606.39	23783.87	10209.06	18500.25	17176.65	18485.18	10472.54	11419.07	15416.48	9165.33	8391.6	25008.35	6395.89
Enilconazole	6876.81	7380.43	6216.63	7936.83	7686.28	9121.51	8204.11	10070.89	9024.0	11079.37	10512.17	7646.67	7033.92	7156.75	7510.72	7494.93	8049.41	7542.5	7299.78	8842.24	6749.11	7982.78	8122.11	7993.98	6753.86
Ampicillin	262460.02	251380.0	253579.64	255860.72	249149.6	244560.99	212084.23	253192.07	242608.24	227049.09	265338.71	274025.8	233459.48	249539.22	221078.99	245655.58	251092.23	196735.33	203636.85	254397.4	220763.98	273018.24	239412.41	240494.84	244299.0
Corosolic acid	35113.12	41572.59	35381.36	35735.02	34911.12	35787.19	54686.22	46972.1	39901.7	39837.56	45739.35	52902.14	48387.08	46647.54	48506.17	46027.49	44327.79	80034.33	41999.76	47688.49	48164.95	50596.6	50494.83	54769.18	51583.99
2-Hydroxy-4-(methylthio)butyric acid	46451.98	43640.93	42689.89	38762.06	71550.68	36523.57	32409.13	48412.48	51703.04	42542.55	36885.57	76009.26	39857.58	48332.29	44614.85	38498.02	56069.24	38212.39	58141.72	37958.12	49258.72	83846.34	70867.91	42770.92	85301.6
"Pyridine-3,4-dicarboxylic acid"	100908.52	101992.52	110326.35	100778.67	108871.19	106184.54	105329.42	103168.84	104440.91	98900.66	93197.04	92774.82	113756.66	90685.08	104787.28	91380.45	97648.88	93869.13	97503.76	97681.32	108370.87	106895.04	99491.56	102686.55	114565.1
Azobenzene-4-sulfonic acid	7305.32	7540.73	1433.7	1642.82	12199.33	23127.96	15014.4	3594.44	22780.79	29555.71	4622.78	2729.76	25722.38	8303.85	11434.33	10585.81	19108.71	13996.74	17262.15	38521.05	7809.49	6111.98	3859.96	25092.91	29656.53
Isofraxidin	24342.87	24028.23	24513.7	23636.19	22848.88	24134.62	36097.93	24311.66	26577.55	28842.26	22851.0	25200.98	24160.77	25984.36	23878.97	25694.27	24385.39	37961.09	24776.87	24965.98	25400.4	25952.26	24406.38	24383.55	24404.23
2-Chloro-2'-Deoxyadenosine	1453.68	1258.89	782.39	836.76	1369.61	1953.73	1856.82	1728.42	1390.14	1687.1	1252.9	1037.43	1036.87	733.35	1023.84	885.55	736.24	835.01	605.05	1286.64	1013.3	1441.17	1088.11	1113.67	534.62
Auraptene	6186.61	4862.27	2274.18	3552.02	5089.81	2861.9	3515.43	3027.89	1337.73	3015.15	4154.98	3372.2	5052.57	5366.27	4344.26	2192.38	4785.35	5196.53	4822.16	1926.49	4030.82	2829.89	1244.62	3296.93	4981.94
Pyridoxal	2227.85	2294.27	2361.45	1126.16	1958.88	3378.93	3547.86	3360.67	3801.9	2457.51	3122.59	2601.26	3112.84	2924.71	3612.99	3696.64	2654.49	2710.74	2388.4	2863.06	2514.68	2881.16	1854.64	1764.02	3660.71
Clotrimazole	16311.69	15642.31	15258.05	16399.75	15698.47	15428.86	21916.66	15263.44	13674.29	15225.63	15025.68	15310.07	14467.64	16526.28	14805.32	16114.72	14451.95	22040.4	15350.57	15915.26	14942.72	16095.73	15578.79	14253.6	16587.99
Clidinium bromide	5442.98	4632.91	4931.12	4170.48	4574.87	5791.61	7640.62	5059.27	4485.75	3404.92	5485.12	5943.34	5149.64	5968.69	4507.85	5909.65	6102.86	7591.12	4514.37	5444.28	5126.25	5316.9	5653.71	1278.95	5355.78
Isopentenyl pyrophosphate	286234.19	300414.5	291099.43	305999.31	295465.56	307143.76	315702.01	312028.53	313828.2	313921.56	305242.28	283498.93	301932.29	282448.9	383324.13	350792.73	295784.35	347527.22	539027.88	334093.9	291472.12	308628.6	312498.39	317896.03	324294.59
4-Pentenoic acid	9221.91	8251.59	7655.59	7992.35	8529.77	11631.32	8926.42	9938.86	10574.51	12365.23	11809.37	8786.37	8734.68	7512.65	8247.95	8644.39	8675.02	9230.03	8034.83	11184.72	9149.03	8736.32	12595.58	10418.79	8814.83
Methyl linolenate	499136.8	494976.8	447515.66	289887.21	504936.65	496189.06	488690.12	511210.37	482956.36	500713.57	486593.85	482021.64	503865.42	495476.79	496360.48	498710.56	497363.37	496963.11	496025.44	493829.32	500087.65	511111.17	490694.24	491618.71	482309.37
5-(3-Carboxybenzoyl)-2-((6-(4-methoxyphenyl)-5-hexenyl)oxy)benzenepropanoic acid	8151.04	11473.82	13888.24	8907.88	12994.3	22600.12	25052.53	24230.32	13827.75	26385.92	21762.14	11311.09	1722.28	60198.43	16787.38	51642.13	56985.81	40092.31	19846.46	15158.03	21614.22	6455.83	13371.92	35106.47	1441.63
2-Acetamido-2-Deoxy-D-Mannopyranose	32859.38	31883.65	34347.25	33392.32	34170.94	33312.0	16535.5	33013.36	31811.29	33323.42	29246.52	29651.3	35546.02	30909.31	33131.95	28451.3	29634.57	14726.43	28955.92	29193.31	29594.15	30074.73	27606.6	29806.44	32659.99
Medicagenic acid	10791.75	11329.85	9928.22	10857.27	9321.95	15247.88	6297.53	12857.15	14805.77	18896.38	18183.79	12155.9	11229.49	10647.98	11229.97	9372.39	6782.36	13101.37	11254.95	16124.88	8872.62	8700.32	14834.36	11167.51	9009.19
Sedoheptulose	1274.31	2912.08	3220.78	3262.41	3483.14	6617.43	5331.49	5562.33	3679.65	5612.62	3531.84	6427.02	1202.65	2490.15	2916.53	3485.54	3716.66	3805.48	2866.8	7107.0	4585.59	1019.58	7692.31	1040.49	2946.25
Albendazole	5587.98	8525.17	3780.27	3226.58	1508.04	9322.62	9994.63	9673.63	12782.83	8208.14	3170.98	3778.61	8002.42	3691.71	6354.06	6966.22	5452.54	5743.9	6715.43	10423.93	13032.52	4814.59	4985.12	7119.5	6365.2
Zonisamide	11458.19	11312.62	11079.02	10361.67	10231.41	10709.09	10741.74	10926.95	9981.58	10382.84	9925.97	9777.41	9576.24	10466.75	10243.92	10275.25	10559.92	10156.77	10878.42	10227.55	10446.92	10505.95	9772.1	10771.89	10259.54
Secnidazole	9808.28	10949.01	8947.08	9997.64	10024.51	11467.72	11345.15	17436.4	10504.28	14257.74	14714.4	12237.0	11230.3	9582.67	12058.66	10307.27	12361.98	12858.97	10823.76	13722.63	8961.93	11639.32	4008.6	14667.32	11044.62
Phthalic acid	27206.71	32923.1	32354.28	35218.21	39139.49	41229.05	25419.22	23615.46	37476.64	25329.04	39328.23	41244.59	41034.32	41836.48	42292.53	38842.27	41546.22	39427.57	40921.71	16442.57	43642.8	42605.05	43820.1	41946.77	8426.87
"13,14-dihydro-15-keto PGD2"	8739.19	15082.48	10615.39	2964.92	8592.61	8955.03	10627.78	9815.61	8439.37	11310.37	27309.27	12700.18	5348.03	12850.87	28411.03	20642.37	12131.52	7495.93	7369.93	7514.24	8588.87	2822.68	2139.35	7835.89	2594.14
Ursocholic acid	12480.87	12120.09	11464.79	11837.49	11285.19	11143.27	15079.36	11424.7	11263.49	10824.69	10875.47	12079.68	11430.58	11692.48	10717.72	10163.15	10709.96	7340.11	12043.81	12056.14	11529.09	12331.61	11995.92	10241.82	13536.85
Thymoquinone	2038.15	942.21	3341.31	688.33	3586.12	2882.53	6453.68	5473.89	5006.89	11346.04	3528.21	3344.55	1521.23	8555.52	3548.87	13398.81	11172.32	9787.5	4312.16	5036.28	6014.34	2776.34	2244.22	16834.63	2142.1
Pimozide	10305.79	15054.79	21162.4	15740.1	15620.15	29045.05	39474.91	25072.64	17417.75	40963.79	23426.96	11411.26	5590.46	92355.16	25777.9	123283.5	79257.62	47853.2	21669.36	21904.71	42480.39	8623.97	13387.17	79098.8	8367.02
Picrotoxinine	708.2	2850.65	1499.69	824.54	751.36	4440.03	2160.32	1831.07	2746.23	3010.99	1024.74	1486.46	1374.51	2968.08	4385.4	722.68	1693.91	803.25	1883.32	1189.92	1237.75	1523.49	3047.43	2304.75	2367.02
Swertiamarin	192840.51	162022.87	172128.2	162594.78	155016.06	116873.47	109904.43	129868.9	134003.56	155581.5	231514.88	197965.62	172376.4	189472.58	159517.61	185511.83	196872.46	166920.66	163620.97	192552.24	240090.49	205323.94	199177.45	187962.87	202840.14
Rhamnose	5594.0	1583.71	1840.05	706.27	272.5	43497.62	5215.78	4710.39	45157.24	59270.24	3728.65	2968.86	44111.6	10582.02	10457.61	10359.71	31266.01	42549.79	19285.42	75339.7	8169.36	5619.3	3349.47	44310.11	57505.39
"15-Deoxy-delta-12,14-prostaglandin J2"	16998.7	29436.0	22207.23	9224.43	18680.21	30479.08	32696.58	30886.86	31395.53	29964.92	19514.02	19155.81	13061.56	15716.76	22382.31	25047.76	21955.69	29217.35	28085.55	26548.69	20884.1	17140.48	10684.57	21861.14	16659.25
Fexofenadine hydrochloride	6217.49	6111.92	6348.13	6612.86	6984.45	6663.17	11447.34	6675.42	6255.54	6544.68	7163.71	7117.92	6785.04	7248.15	6298.48	7051.12	7352.08	11827.72	8065.61	7561.12	7408.68	6651.82	7735.58	7652.43	8072.56
Moxonidine	9025.57	8036.74	8739.67	5355.1	9617.79	2991.33	1059.63	2414.55	7331.85	6589.37	6691.98	8726.47	8294.58	7185.42	2016.62	2109.93	5746.06	2455.5	3283.08	631.81	4566.15	629.81	2054.69	695.41	1224.73
Citicoline	16510.63	15125.0	14432.82	14195.42	14922.62	8776.52	7448.48	10680.58	6941.91	12271.32	14213.88	15990.65	9850.17	15241.62	10793.72	12686.87	14237.93	9228.65	10998.38	7628.65	14782.49	15416.58	14322.2	13947.9	12693.18
Racanisodamine	18742.68	18966.33	20188.82	18138.29	19950.13	18866.89	19802.28	20074.77	19737.0	19623.75	20604.45	21934.74	22386.31	21095.67	22947.3	22534.15	20771.3	23193.51	22350.14	21925.21	24661.07	22112.68	21942.01	21929.61	20762.99
Sulfadoxine	13277.5	12387.04	12004.91	12010.78	15336.75	10367.8	9768.67	13711.06	13100.58	11984.91	10913.63	10267.47	9269.04	11078.1	11914.7	10229.95	11152.61	11357.75	12532.94	11422.19	10010.83	12310.3	10122.44	11005.81	16108.22
Isatin	11535.58	4500.89	2662.27	11085.46	1179.72	41227.69	18363.1	1027.22	38209.52	48620.85	10433.0	1128.62	35976.6	13624.09	13444.81	7530.24	29944.66	34943.99	26939.27	63452.35	4387.37	3739.64	2830.79	42853.59	52433.03
Amitraz	85135.19	84039.42	71232.1	98045.15	77558.79	118685.1	83864.06	93404.99	108709.47	131333.47	115317.62	79371.59	76658.33	66303.15	68762.36	78398.95	79321.62	82438.2	72262.29	99648.82	60170.25	74503.19	99823.04	89579.95	74283.29
Maltose	15445.01	13351.38	12357.05	10853.97	13533.09	9114.23	7916.27	14987.07	12795.0	11504.42	7812.17	7118.47	3371.24	5172.45	4619.87	5542.64	5372.13	5755.38	4453.34	8952.32	5596.79	5996.01	5088.49	4171.15	2959.75
1-Heptadecanoyl-sn-glycero-3-phosphocholine	31008.78	31461.41	34596.7	35373.38	36315.68	43509.29	30733.7	36399.61	42792.12	42127.6	34556.95	29891.08	32000.34	31315.55	31250.86	37679.99	33229.63	64279.99	40142.07	33565.82	36405.8	33799.51	40737.82	36044.59	33479.81
PC(18:3/18:3)	6180.43	6793.26	7229.54	6362.06	7941.01	7194.97	10238.69	8210.1	7945.02	9128.57	8220.6	7964.72	10615.3	10827.25	10017.88	11019.92	10519.93	13737.91	11135.21	11068.96	8434.83	9459.81	8511.8	8541.39	8946.04
Cortisone	41776.7	39423.99	43494.44	53371.13	16188.96	8863.74	34425.14	35588.77	32285.17	59971.1	53931.25	57745.1	41059.62	61773.01	55700.55	64891.56	59146.9	30710.59	56096.26	928.21	1215.99	30746.45	5277.17	26986.51	30078.52
Dihydroactinidiolide	11371.63	10561.82	9158.97	11184.01	9267.3	17184.29	10634.91	12256.87	13569.34	17262.01	16326.48	12197.02	9707.94	7842.9	6269.24	10028.72	9951.58	9850.1	9680.33	14260.45	8027.41	9106.49	15450.36	12095.61	10152.6
Pindolol	260092.56	255310.56	238970.22	248059.35	242060.73	331807.61	715071.83	252548.4	232340.4	237601.83	234294.36	245667.73	247940.47	252389.31	253133.09	262679.15	253715.33	814910.18	272586.28	247666.59	260959.06	261207.0	268512.2	361674.6	344963.92
"1,2-Dioleoyl-sn-Glycero-3-Phosphocholine"	36973.9	41898.25	44957.71	47601.37	40476.59	37937.21	57188.35	111142.17	65563.56	59247.71	55146.8	44398.38	47633.38	61308.32	116535.76	38908.22	40327.42	46163.5	86520.48	55329.3	197986.89	49305.31	38348.4	38370.7	51005.83
"1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine"	96503.89	124524.77	78513.34	260043.75	356393.34	308619.74	336826.35	407410.7	145399.62	111636.61	43214.03	40257.0	45959.12	62924.66	33052.65	41752.74	41503.66	43729.65	78783.4	45512.51	38959.78	56933.77	47102.26	190609.89	44474.81
Hecogenin acetate	5968.05	3803.59	4216.83	4146.16	4409.16	3781.3	4232.67	2233.65	2852.93	4795.07	1629.58	938.78	2411.96	1993.66	1406.18	2126.76	448.49	1202.42	540.64	3206.43	2519.94	2510.8	2239.24	859.77	429.9
Spiramycin	6552.94	8540.34	7776.86	8996.06	8388.9	9684.22	13094.2	10847.02	10705.8	9751.56	11286.43	10538.76	14071.79	13146.84	14143.02	16201.01	14649.04	22286.11	17248.01	16852.78	18021.9	20221.85	14508.9	17187.83	17830.86
Lincomycin	17989.25	18333.61	18538.61	19211.04	18161.13	18066.6	31396.76	19276.18	19719.4	19575.57	18031.19	19623.65	18957.42	22807.79	20574.6	21742.84	20880.88	35283.07	23863.23	21195.88	21768.63	21252.83	21361.94	22922.82	21526.07
HC-Toxin	20862.22	20055.16	20012.19	20707.18	23506.56	28047.73	26577.4	24679.3	23281.71	28447.03	26924.1	22925.44	17984.58	18519.48	18585.05	22717.89	21390.97	27426.57	22106.56	28954.1	21324.56	22742.91	28681.52	24920.02	20760.13
2'-Deoxyguanosine 5'-monophosphate	10907.4	10722.05	8973.85	9890.9	12860.59	15063.39	15474.76	22165.23	24008.33	25166.8	21235.52	17235.55	21774.73	20288.31	11946.85	29232.99	26424.35	18919.57	18306.43	17118.11	20936.15	12903.73	16717.85	18561.16	20585.92
N-oleoylglycine	8633.71	5928.47	4863.09	5456.25	5768.25	3648.33	3575.39	3331.04	4227.3	2851.35	2585.7	1891.32	1718.71	1789.32	2002.1	2068.33	1963.9	2336.33	2757.77	3182.62	3555.33	3494.83	2820.22	2238.02	2254.13
Ormetoprim	49548.92	44643.35	45425.53	53365.77	47923.69	47034.08	74955.12	53860.89	58388.8	53375.38	58540.07	52225.85	49599.87	43927.6	51831.35	48951.73	51245.97	81925.73	52117.62	57363.1	51820.5	66950.38	95956.36	53737.02	50024.79
Dioleoylphosphatidylcholine	15257.94	16737.19	17751.05	19764.5	21842.47	20514.21	27070.86	78714.57	32662.81	23130.19	79988.25	46709.82	33043.88	50842.11	23404.56	19249.92	98230.64	18772.6	15489.22	16255.44	17887.29	17442.95	14926.29	16820.66	19521.75
"3',4'-(Methylenedioxy)-2-(1-pyrrolidinyl)butyrophenone Hydrochloride"	8190.3	7577.45	3344.71	6508.69	7510.26	8065.68	7498.35	10576.7	8206.36	10459.94	9118.04	7137.12	7509.96	8483.43	9312.06	8732.87	9032.69	9522.9	7550.65	9127.62	5249.85	7610.99	6883.63	8381.23	8560.03
1-Octadecyl-2-acetyl-sn-glycero-3-phosphocholine	9601.02	8839.59	8414.08	8646.2	9432.72	7849.67	7989.32	8217.76	6937.76	7069.57	6073.52	4960.8	4831.41	6313.18	4267.48	3360.92	3106.18	3791.57	4036.39	1129.67	2061.58	3178.81	2356.78	1735.34	5617.25
Mepiprazole	33967.14	31784.16	36378.59	34683.09	32086.37	48016.25	50204.78	36978.15	40295.83	45458.27	45316.7	36461.93	31895.01	30875.16	34162.12	35670.74	36111.57	52505.45	35234.77	41265.72	31321.24	36575.78	44282.95	40868.83	38516.93
Daporinad	5964.65	5758.75	5810.7	6404.31	5763.67	7358.7	9834.63	6000.0	6443.63	6367.64	5805.17	6218.5	5689.98	6203.59	5861.69	6775.6	7470.13	9796.59	7402.96	7081.48	6893.53	7533.8	7892.39	7919.98	6678.77
3-Phenylpropanal	28971.96	28505.66	8337.1	16889.26	6794.91	8734.14	11970.96	8207.57	8485.41	8429.56	9302.31	8259.95	6258.59	9643.15	7453.66	9491.34	8839.62	13312.09	8498.71	8152.95	8524.32	7812.36	9086.16	3066.51	4544.0
Pyridine	35273.35	31332.01	31047.09	35007.51	33959.06	23962.28	24938.82	24553.09	26504.34	26891.77	32084.49	31804.34	28231.15	30374.61	24441.94	26566.0	28042.05	29423.67	23903.64	25082.75	27090.69	30457.96	29046.59	28530.82	28766.9
"1-(6-((3-Methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dione"	4978.54	5595.13	6743.72	6007.04	4977.08	3338.39	3301.76	3577.47	4837.46	4394.87	4205.14	3412.96	3469.86	4517.95	3547.4	2694.32	2313.63	4636.07	5880.64	2534.59	2235.32	4723.76	3725.47	3444.03	6253.16
Anthranoyllycoctonine	5804.18	7792.08	7006.62	8751.43	7307.14	11456.91	8253.25	11132.35	12225.43	13424.71	11715.75	7796.82	7466.88	6208.24	7083.53	7003.63	7859.01	7457.51	7062.64	9901.2	5787.66	7961.58	9270.95	7989.17	6636.17
1-Oleoyl-2-acetyl-sn-glycerol	26983.55	26144.73	24389.73	25839.02	37146.93	26068.95	27388.5	17514.5	20686.62	20585.87	18615.98	16511.54	19452.84	54584.77	28556.45	15264.13	15683.58	22483.85	24603.75	18700.77	19658.22	15868.88	18817.39	15949.1	16001.84
N-Stearoyl Taurine	9307.99	11319.8	8865.36	9197.8	10372.53	5643.39	8088.18	5610.67	9159.75	7567.39	8972.61	10674.87	7573.86	7865.4	5800.01	6611.87	5596.99	4837.77	2200.95	1805.53	5660.23	2767.47	1719.74	601.48	1606.15
Leupeptin	3596.9	4657.42	5736.47	5625.18	3945.99	2712.88	3395.96	1718.1	2372.73	1674.99	1603.37	1648.02	1496.64	1834.46	1546.52	987.38	715.24	1232.98	722.34	666.44	1116.81	1451.7	785.47	1010.32	828.67
Combretastatin A4	12936.9	13342.14	12420.5	13005.6	12789.39	12544.55	15719.37	11192.16	9699.27	11269.61	12645.52	11244.25	11830.23	11915.36	12210.83	10349.31	12942.45	12609.2	11224.41	11974.8	12949.99	13210.0	14070.93	11776.32	13154.55
Anandamide	18867.3	12883.78	9894.39	9117.99	12301.0	6213.95	5973.4	4538.07	6630.38	4263.29	3811.89	4088.62	2522.42	3695.9	5646.19	4013.25	3055.53	3511.6	6119.11	5894.37	4115.76	8497.33	7040.95	5837.85	5803.37
7-[2-(3-Hydroxyoctyl)-5-oxopyrrolidin-1-YL]heptanoic acid	9062.03	9037.16	7301.76	10333.97	8241.56	9991.46	8898.61	8032.3	9116.58	9684.21	8782.58	6559.22	8194.91	6327.0	5872.34	6197.11	5414.21	7290.85	6325.04	8434.96	5684.26	5991.43	8620.72	5763.71	5010.36
Cyprodinil	90770.69	84958.47	87353.87	91384.35	90429.77	86851.7	84063.62	77439.45	83360.5	91449.02	84594.47	61405.93	80883.7	88097.62	92449.91	89567.59	90933.03	91985.53	91587.51	81503.14	89299.27	94745.4	89229.09	90945.56	88459.04
4-Methylphenylacetone	1277.96	2859.39	3199.16	1913.85	3975.53	3547.01	4628.97	3230.39	1785.17	3911.62	1336.12	3926.62	3591.9	2147.13	3298.37	4233.79	3809.92	5688.0	2053.4	4071.6	2654.71	2981.17	1827.27	2248.45	3173.1
Polyporusterone A	7654.3	6821.64	7781.27	7178.26	8207.32	6446.77	5737.05	10658.47	5252.88	6919.9	5306.95	5258.22	3973.61	4670.04	4660.41	3576.82	4054.34	4661.85	4065.09	3635.15	3539.29	5175.46	3917.11	1869.7	9295.75
Cholesterol hemisuccinate	2962.16	3380.71	2338.73	3265.26	3461.08	5125.74	3682.71	4404.76	3060.63	4200.37	4925.17	2571.79	2866.61	3372.26	1439.62	3150.77	4459.9	2879.27	2085.05	2043.21	2016.52	1539.0	1432.98	5311.03	2319.31
Benzylamine	7636.61	7361.64	8127.78	7801.79	11074.18	7501.69	6577.22	7718.5	7697.83	7407.09	14299.25	7407.14	7349.54	8002.56	14016.0	12533.46	8174.38	8304.37	10231.39	10187.54	7802.98	7844.85	7313.34	7500.36	7353.73
"N,N-dimethylsphingosine"	4862.84	4469.02	4354.53	3440.43	4946.52	2765.3	2990.08	4755.18	2278.07	2811.77	3771.83	7084.8	3432.71	4070.33	3473.17	6528.38	4723.22	5505.5	3695.84	3084.7	2291.91	8101.77	4590.26	5355.24	5462.81
Sporidesmolide 1	3722.14	2448.1	2483.08	3192.98	2888.57	1600.23	2699.21	2144.23	3402.58	1576.45	2292.23	2068.39	874.01	582.74	899.01	571.55	897.12	565.48	1073.29	829.7	792.7	1565.36	448.78	444.95	389.8
Heudelottin C	6752.54	8873.4	7575.96	7268.57	8727.91	8505.81	7581.32	7178.17	10752.1	9119.79	11303.23	6801.9	502.52	5029.7	6850.42	7253.72	6866.23	8012.86	7641.76	10855.01	6733.49	8458.61	9423.65	10435.1	9185.33
CCT-018159	24021.78	22773.07	23511.1	23377.45	24777.9	22947.86	33537.41	23759.56	23997.85	24219.03	23637.35	23201.04	23909.84	23481.75	22290.63	22837.04	23302.25	35042.5	24934.31	25751.46	23421.53	25545.25	24308.53	23848.27	23289.32
Dimethyloxalylglycine	118027.6	146900.3	132752.88	122687.31	118875.95	142180.34	3206.25	154984.09	149821.02	150260.56	158046.22	166952.83	146223.83	185330.93	169227.5	156208.66	182243.29	125546.16	176792.08	169786.76	173896.59	145191.57	162593.28	178766.38	148511.8
2-[2-(1-Azabicyclo[2.2.2]octan-3-ylidene)-2-fluoroethoxy]-9H-carbazole;hydrochloride	3643.06	2675.78	1678.77	2276.07	2479.3	3464.96	2363.01	3429.08	4529.85	5116.92	3544.26	3401.99	3134.27	3430.19	2456.86	2767.44	2224.71	1560.96	2690.99	4851.82	2941.36	2905.81	4284.3	3206.88	2621.01
Pachyrrhizin	3722.74	3786.47	4195.83	3168.19	3233.01	4453.39	6908.28	3305.82	2066.78	4216.53	2517.09	2157.76	3595.2	4241.97	3791.02	4392.1	3585.09	5412.19	4048.01	4455.56	3664.62	3673.36	3346.08	2420.69	3269.04
Benzyl alcohol	3428.03	3110.1	3000.34	2938.93	3127.89	2719.79	1380.37	3292.47	3154.2	3120.57	2188.47	2499.57	1867.25	1284.34	3144.69	3173.33	3403.9	2844.74	3235.22	3207.67	1297.97	3205.78	3538.66	1869.68	4941.6
Licochalcone a	14622.55	13714.43	12402.23	12822.92	13288.56	15393.95	14972.29	20526.05	15046.91	18359.16	18346.66	14429.81	12727.15	11785.18	14596.4	13929.16	14167.9	14408.28	14483.64	18046.08	13040.74	14468.53	15557.23	15120.28	14690.89
"2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one"	44392.81	47026.81	39873.32	44740.43	52832.32	37776.65	50234.68	56351.22	59988.73	54513.67	63029.74	30980.54	79779.85	64570.44	88987.4	84050.82	67327.62	42055.92	22539.63	3079.26	49507.48	66011.73	52998.27	66170.67	52528.97
Pyridaben	32575.73	28406.49	28037.49	28634.13	26575.96	29164.61	38002.38	26646.81	24469.11	24781.73	21278.24	19768.13	18365.23	21221.43	19904.82	20258.91	20120.2	26595.98	19901.88	18363.81	17804.29	17474.77	22235.43	18768.87	19434.74
C22 Sphingomyelin	9527.95	7217.78	5487.69	6829.32	9220.43	3361.91	5117.34	665.06	3868.99	3444.62	4912.81	1525.66	4125.03	2952.98	694.15	1635.65	2592.66	343.48	977.3	264.37	1146.72	905.11	328.47	377.49	197.09
Aucubin	22754.73	19981.27	17736.48	18358.12	24607.73	14394.68	10782.18	23143.75	24121.81	18646.32	15847.15	15294.17	11920.96	14972.88	18370.82	14168.07	17564.14	12122.6	10727.75	18714.88	15100.83	20039.02	12221.01	15199.77	32556.44
Actinonin	9482.31	6843.65	5645.6	7162.25	6613.2	6825.33	9423.67	6264.39	5550.65	5179.78	6034.32	4093.48	3952.26	4616.97	4981.47	5486.1	3550.26	6218.87	3853.66	4064.65	5778.84	5352.43	4256.07	5452.62	5231.48
Lys-Pro-Arg	9419.58	10630.91	10934.48	10604.97	10187.09	10309.91	15731.52	10472.29	9905.18	10062.92	10112.96	9671.2	9613.85	9876.89	10296.63	9460.11	9677.15	16517.6	9196.22	10003.86	10144.02	9607.12	9737.71	9901.8	9239.18
Aspartic acid	57416.24	68071.13	69914.81	64041.42	57086.62	71175.17	52588.81	81906.75	70537.23	73827.75	77217.08	85937.82	71589.04	91378.77	82357.26	75478.86	91480.16	64688.84	85080.62	88229.08	88509.3	79653.08	86337.14	87797.54	79945.05
Docosahexaenoic acid	2785.77	3034.26	2873.6	3354.24	3341.53	3079.33	3136.84	4185.43	4173.82	4119.27	2750.66	3454.84	4242.36	4180.34	5012.21	3975.8	3511.44	4315.84	4181.03	4960.33	4950.04	6821.14	6822.44	6217.01	3341.62
Nbd-ceramide	5994.9	5312.76	5927.95	5726.9	5773.49	6696.68	10115.2	6574.0	6870.63	7303.75	6921.94	6559.94	5475.32	6083.56	5902.05	6873.91	6042.91	10070.25	6746.3	6434.1	6694.63	6673.86	7525.9	7741.18	7609.2
Lasalocid	9279.7	9158.35	8547.52	10676.44	9811.19	9420.72	13891.08	10813.29	9113.69	9491.64	8851.14	8634.77	9118.0	9135.43	9501.32	9360.17	8823.57	15117.36	8736.25	8796.08	9381.17	8826.81	9517.41	8887.8	8566.57
Cytochalasin e	5740.65	8618.21	10693.62	8921.45	9123.53	15193.17	19431.16	13432.1	9605.41	22001.45	12146.39	7108.66	4514.33	42599.78	14298.25	54386.8	30936.52	19615.8	9111.64	10343.65	17607.09	4669.85	6307.11	30768.88	5669.23
Prostaglandin E2 p-benzamidophenyl ester	1810.34	2400.59	3499.1	1626.05	3566.91	3268.48	3407.82	4004.69	4579.69	2889.07	4066.73	5888.57	5099.48	3818.06	4900.18	4891.51	5697.13	9326.22	5465.5	7369.22	6919.76	7115.67	7596.04	6017.46	6991.31
Pyrrolidine	49277.36	54410.11	44003.01	41257.71	46659.88	49536.74	41829.01	53433.95	61151.88	50353.42	41680.6	40899.33	42339.62	42802.69	52343.77	44838.88	53257.85	44976.29	57966.44	49297.66	45560.55	47774.93	36008.44	48307.15	85025.97
"2,5-Dimethylbenzaldehyde"	5794.08	5416.68	4839.73	5859.09	5303.92	8511.26	5401.98	5667.56	6361.56	7634.83	7534.99	5083.99	5306.34	4991.89	4692.13	5686.0	5011.84	5539.97	5013.26	5934.44	4620.61	5166.29	7404.91	6245.97	4662.67
4-Formyl-2-hydroxybenzoic acid	63690.72	66709.86	59139.97	73132.22	65798.26	88346.9	69289.05	85728.45	89374.32	102560.52	91015.32	65972.07	59595.13	54732.06	61934.82	62396.03	70484.29	65530.13	61296.22	81140.84	49803.66	64678.79	76632.29	69234.98	55530.62
Vitamin K	84757.92	90947.59	78324.13	96742.87	84302.19	107997.37	92928.26	105201.2	113229.04	131934.9	108750.57	91694.35	79882.33	74107.31	84304.94	83960.05	91651.49	91356.03	83575.63	105717.43	75697.58	94672.13	113605.2	92590.14	86488.87
Bardoxolone	10464.39	11100.72	9423.23	11705.36	7554.0	12004.1	19606.28	13803.2	12001.15	15579.37	23105.37	18159.86	20162.14	23723.36	17530.15	24240.32	17571.99	34326.3	22652.88	22675.52	22423.06	25208.66	23932.85	22754.59	21268.75
(Phenylcarbamylmethyl)-trimethylammonium iodide	216756.52	206354.98	212060.42	212845.84	212491.47	226737.78	328464.45	230153.82	203630.56	213683.32	213630.58	210764.59	216082.71	215190.87	224070.62	235208.57	231172.49	337888.93	238893.56	237970.17	242814.99	244476.54	244409.21	238426.07	241420.9
Hecogenin	3235.07	3782.84	3427.32	3959.09	3571.22	4865.26	3725.16	3825.14	4348.36	4986.79	4176.82	2746.71	2893.89	3181.55	2902.56	2712.27	3715.84	3589.38	3003.33	4072.93	2838.3	2690.61	4131.59	2962.85	2849.38
Celastrol	6726.27	7072.29	6864.61	7945.14	5366.53	7122.26	8794.38	9579.92	7919.34	9667.93	5653.52	7477.81	5810.09	6018.76	7948.33	8398.05	7093.23	9061.21	6004.87	4914.26	8653.13	8628.32	4670.01	8527.85	6200.71
brefeldin A	20629.32	27643.24	18202.97	58544.15	21965.04	27714.76	12539.5	45257.43	23583.07	29017.27	59585.06	18241.63	16908.32	10487.09	15604.53	18199.16	18885.09	16521.04	16641.69	26304.71	9844.13	18160.18	25521.56	9566.75	15371.66
Triphenylphosphine oxide	23113.46	23658.81	22715.85	23936.35	25577.54	25635.6	33239.18	23807.27	23845.16	24535.46	25191.76	24466.82	25985.22	24362.58	22542.05	24500.54	24105.99	34418.69	22023.56	24180.77	22674.06	23362.23	23450.35	23112.38	24379.56
(-)-Tylocrebrine	5125.01	4913.59	4385.88	4807.66	4804.5	6071.47	6327.06	5133.15	5354.37	5944.67	6286.97	4868.18	4441.92	4426.62	4144.9	4279.39	4327.79	6771.78	4311.25	5796.46	4772.19	4554.51	5434.79	5334.3	5103.48
"Erythrono-1,4-lactone"	190.91	49.05	787.81	647.17	17538.5	184.62	183.29	27.74	33.86	186.4	33.89	35.86	33.86	35.04	33.87	31.81	165.25	33.84	41.51	33.87	33.88	34.15	33.86	28.57	33.72
16alpha-Hydroxyestrone	30301.47	31346.62	30450.88	30138.28	30742.94	31774.72	44594.27	30251.73	20399.42	28852.11	28356.5	26275.15	28135.44	28418.32	28343.6	26912.59	27567.04	41947.08	28137.92	27898.99	31288.72	30205.18	29920.84	27804.13	30631.36
1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine	6665.62	5786.09	1239.36	6138.01	17167.06	17761.14	21655.73	14705.07	33114.51	21920.0	17080.04	10871.11	11491.98	21174.56	65555.83	16721.39	13122.54	15732.87	14802.42	16752.45	13894.09	11658.34	14242.48	18030.53	38600.91
4-Oxoretinoic acid	1644.69	1144.68	1171.13	1658.27	894.6	3884.08	2888.58	2798.98	3399.51	3770.96	3601.32	2629.46	2440.27	2596.92	2681.89	2896.92	3455.7	3787.77	2824.49	4324.37	3583.49	2838.25	22915.39	3785.08	3163.72
Pantoic acid	257.16	301.85	325.61	287.43	302.53	5464.85	167.76	260.42	14255.38	6355.25	171.11	159.59	9605.4	136.98	161.56	125.31	4950.97	7378.53	5082.64	4935.53	119.45	117.09	115.33	2957.8	993.67
Vanylglycol	36523.08	34840.42	31668.3	33047.43	37584.57	27818.48	26828.58	36591.62	36022.53	33642.5	28784.83	28539.43	26251.19	28056.69	30769.46	28462.18	30280.09	28548.64	32456.61	32472.06	27867.55	33440.89	24894.68	27863.88	47771.12
Luffariellolide	8848.71	4034.17	5043.94	4508.3	5064.78	4186.41	6349.07	5251.54	3077.41	2329.79	4655.92	4171.81	3867.61	5104.49	4675.71	4938.21	2615.79	4078.74	5516.86	4789.17	3909.06	1821.76	2840.94	2273.36	2466.52
L-methionine sulfoxide	11252.52	10130.35	11519.33	10193.58	11265.19	10139.22	40255.97	10458.79	11165.34	10089.61	9598.82	11158.05	12938.05	8514.96	10766.86	9865.88	9982.74	37081.73	10147.73	10143.96	11284.71	12102.37	10782.02	11273.19	12329.22
Thidiazuron	4491.49	3052.41	3129.51	3970.8	3637.42	5390.13	3837.81	4415.57	4563.62	4633.92	4568.97	3979.29	3434.72	3157.32	3432.29	3147.95	2213.45	3647.82	3190.87	3814.11	3212.55	3477.81	4842.23	3802.69	3005.86
1-(2-(3-(4-Methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1H-imidazole hydrochloride	13290.64	13430.35	13460.26	14234.22	13155.82	15181.08	18748.03	16111.32	12053.0	15684.5	14119.54	11627.99	14644.61	15700.68	25016.71	14342.63	14723.43	18089.66	15458.38	16536.35	14436.86	15781.72	16755.97	16922.64	16966.18
Fucoxanthin	7290.94	8264.61	4158.73	7883.8	7963.23	9985.42	10226.33	12024.09	12024.78	12429.99	8365.33	8219.71	7015.32	4025.07	2827.67	6593.36	9946.02	6968.31	6917.65	10204.42	1294.09	6919.24	7551.81	7570.24	6117.54
methylcarbamyl PAF	3449.61	3107.0	2446.62	3255.01	3429.8	5479.9	3255.01	1508.11	2982.89	4501.34	2145.98	1672.02	3075.14	1473.57	1611.43	1002.5	1529.17	1866.3	1595.48	1526.56	1084.25	721.54	2298.33	1401.2	1017.78
Methyl 3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]-4-hydroxybenzoate	4068.73	1882.11	4726.67	3965.18	4690.4	7735.14	9679.07	7395.69	4894.68	11831.18	7849.28	4159.39	3467.83	43800.01	10257.67	48330.11	23550.05	17997.03	6593.11	5496.48	10999.6	5645.52	4442.45	36692.19	5208.42
Sibutramine	5859.35	6172.42	5943.83	5345.72	5740.64	6702.31	8183.4	6606.52	6212.95	5962.09	6666.45	5445.88	5271.64	6517.64	5858.74	6393.83	5969.75	6569.89	5673.73	4670.09	5094.55	5200.85	5780.05	5146.73	5423.88
1-O-Octadecyl-SN-glycero-3-phosphocholine	147464.66	152619.99	135912.1	144033.96	68210.28	86471.68	37060.73	45404.18	45576.44	54263.18	14615.28	18845.4	44035.94	30007.15	18774.48	37765.11	22482.89	35604.73	15566.1	13103.39	62349.52	29602.62	44705.82	41078.17	42501.69
Lys-Phe-Tyr	24770.53	22449.0	12722.36	20749.9	29340.5	18570.12	15222.19	21208.11	17479.04	17601.57	19816.54	19946.93	24003.36	16121.93	25015.85	24443.82	29596.4	25731.84	17597.93	19135.81	3242.58	38877.29	13816.92	30211.96	27583.13
Validamycin A	6491.59	4888.1	4388.62	4357.39	4137.18	3253.33	4248.75	5186.81	5903.06	3110.14	3625.81	1738.82	2719.89	918.03	4002.86	2702.0	2861.13	3631.41	3582.27	3993.07	1389.23	3340.88	992.97	2983.19	1717.5
Moupinamide	1994.47	733.59	1963.95	1219.39	1102.36	3258.15	7505.87	4428.87	2465.22	8744.58	2113.8	719.06	374.94	13555.21	3406.73	20507.65	9186.88	6163.31	3740.3	4351.86	1197.18	1345.39	856.43	12400.5	813.36
Ergonovine	6988.58	6293.94	3851.59	3159.27	5054.5	13294.54	8051.13	6106.6	8550.17	7756.13	4300.44	5071.17	4124.14	4542.19	4169.79	4575.26	3117.74	5034.11	5138.73	3624.08	680.11	4636.46	4342.09	4931.5	1489.69
"4-Allyl-2,6-dimethoxyphenol"	7317.65	6759.93	7230.84	6980.9	7781.68	12825.9	5894.17	6924.17	7600.55	12021.13	11431.35	7568.2	5865.75	5710.01	5756.79	11803.27	6435.56	6312.06	6491.13	8429.63	5811.25	6753.36	9903.64	15115.74	6081.34
Glycerophospho-N-Oleoyl Ethanolamine	3174764.66	2975567.84	2825197.81	2822789.95	2950683.96	2716365.52	2620568.52	2645151.18	2572736.8	2772663.96	2433641.23	2504337.79	2274673.33	2284465.93	2109062.41	2181297.99	2162208.31	2079841.72	2016982.41	2095895.74	1714259.68	2746517.59	1758960.77	2283999.56	2375788.35
Alprenolol	24280.09	27379.1	27097.31	30752.11	25454.65	24294.96	46722.83	50558.33	41020.16	74540.17	44853.11	45985.34	41922.22	41503.79	33486.57	57010.01	42201.93	34806.99	40990.67	36496.32	45213.66	29527.71	60584.3	36701.11	44575.39
1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine	21702.61	21568.88	23279.33	21702.67	21254.44	23647.71	36414.39	23800.87	23313.0	24162.69	21803.44	22877.63	21864.85	22057.36	21760.55	21582.81	20359.08	33545.6	20682.84	21257.62	23377.3	21996.0	20472.51	25734.74	19449.93
"2S-Amino-4E-pentadecene-1,3R-diol"	4486.78	4199.7	3775.76	4640.36	4922.73	6537.45	4894.9	6292.06	5312.65	6855.4	6192.4	4208.22	4375.69	3309.16	3850.18	4169.24	5020.42	3843.24	4091.98	5064.54	4044.47	3975.33	5815.03	5167.78	4840.75
Terbutaline	11965.49	12337.23	13677.57	16670.52	13134.24	10612.91	10359.8	11299.02	11524.11	12062.97	13316.7	16044.91	13416.75	11492.92	13222.36	13584.13	12241.05	11373.94	15797.68	11851.99	12413.42	12022.28	12370.72	11844.12	11879.24
Trp-glu	8701.67	5615.38	5311.75	7215.85	7436.28	2242.73	2891.56	1230.58	2991.8	1276.52	2731.52	4755.06	2076.02	3508.23	1024.68	1880.01	1702.73	1691.48	3266.05	1532.29	1004.46	3367.26	2052.01	1280.65	3332.79
N-Palmitoyl Taurine	23995.24	23262.45	24506.5	22838.53	25520.76	36730.73	20644.73	24196.57	20397.7	25923.91	21095.68	18285.45	18259.81	19201.4	20607.96	24692.29	22384.27	19583.18	18421.95	24368.75	20899.27	19979.59	22706.4	24105.38	17397.2
Gingerol	27758.9	25073.51	28350.4	30307.46	28482.65	37910.11	44073.09	46921.56	42159.16	41165.88	39063.07	31794.37	29826.94	34202.57	33005.93	38774.9	43292.8	30398.65	30576.35	46006.14	28252.11	37463.13	37241.06	43899.62	27411.19
Pirimicarb	1590.6	1416.72	1700.73	1770.36	758.83	2746.49	1564.89	1971.54	2415.72	2861.49	3048.1	1158.09	1325.4	1666.42	1549.14	2053.4	1801.13	1413.33	2053.48	2770.49	1338.93	2210.6	3010.49	1934.99	1702.46
2-azaniumylethyl (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(stearoyloxy)propyl phosphate	80899.67	98605.79	85489.84	97725.1	97895.73	114193.05	99140.61	113516.32	115097.24	133356.03	108424.57	98718.87	97433.23	86991.82	93185.82	87509.26	92325.78	97645.57	96197.23	116578.98	86186.02	102017.26	101564.34	107884.58	102811.25
Lyngbic acid	15582.57	13361.1	14412.47	13969.32	14398.32	15447.56	22136.8	14552.09	13426.13	12456.3	13717.39	12901.61	14107.55	15186.96	15514.71	13216.49	12774.69	17500.39	15986.72	16032.94	14850.64	13456.42	13831.52	13460.16	15267.85
N-3-oxo-tetradec-7(Z)-enoyl-L-Homoserine lactone	5273.13	5983.05	4419.59	6636.94	4736.43	6319.39	6319.67	7402.25	7250.7	6717.12	7584.17	5384.86	4247.72	4957.6	4766.61	5936.53	4649.27	6841.68	6421.91	5898.42	4309.6	6301.76	6591.35	4661.5	4947.5
Desomorphine	7974.85	1665.6	7647.3	7413.66	1316.03	7182.14	5828.18	7248.09	8038.17	8159.43	6728.1	6560.14	4707.16	7589.99	6777.26	6908.43	6145.1	6673.95	6014.66	6442.64	6796.45	7479.55	7233.05	6886.93	6042.93
Dihydrotanshinone I	13180.36	12781.71	12425.98	3006.23	5309.94	11213.48	11137.09	12049.77	11892.32	8574.99	11946.08	4560.26	11654.18	13162.64	13927.94	11612.78	10853.22	12963.32	11150.35	13711.52	9566.7	11881.18	12463.9	12675.59	12315.2
Fluopicolide	11620.13	9930.82	10270.37	9481.13	9293.93	9515.4	10407.67	9011.87	7073.52	8524.77	8644.16	7584.83	9327.98	8858.26	9152.13	8607.24	8502.32	10692.26	8667.86	8000.65	8231.6	8605.79	8819.4	7454.4	8712.02
5-Phenylpent-4-enyl-1-hydroperoxide	12403.1	11148.56	12886.83	12201.07	11566.53	10934.62	18709.15	9621.54	11115.61	11159.51	11571.99	11147.27	11123.47	11530.31	11163.64	12569.84	12794.89	19170.23	14282.85	10144.58	13439.48	11975.22	13298.22	12388.97	11366.57
PA(18:1(9Z)/18:1(9Z))	427317.6	486501.71	436387.8	504312.85	480514.82	574827.11	503007.55	571452.14	585697.99	666872.64	543951.12	470182.49	473783.15	417981.83	439441.13	428059.57	456012.13	477812.13	461663.74	561119.48	406662.9	493615.21	504313.12	520763.08	498990.95
1-[5-Ethyl-2-hydroxy-4-[[6-methyl-6-(1H-tetrazol-5-YL)heptyl]oxy]phenyl]ethanone	83505.81	89250.85	100533.25	85377.67	96701.15	78151.48	115082.4	85825.97	79811.72	81624.56	75089.26	108628.55	104601.79	115724.08	115254.33	91251.67	100035.99	120343.65	104637.92	89479.16	122680.83	110646.03	88121.02	103132.06	118362.05
Dipalmitoylphosphatidylserine	104752.98	92756.63	97152.11	103626.71	122399.18	119150.08	121476.32	174276.07	127524.17	182200.85	168003.57	91793.39	106458.53	63362.47	101778.86	77211.55	125245.38	111708.95	83011.06	146261.27	89185.1	118839.3	108574.41	124127.62	99965.03
Ginsenoside F1	9608.02	10587.0	8120.18	10356.44	9577.41	13564.37	10113.17	12537.47	13441.9	14884.47	13140.36	9175.49	8338.73	7471.07	8749.15	8466.76	10420.47	8747.2	9337.05	12110.45	7326.24	9407.01	12134.24	10018.71	9068.55
Ser-phe	7439.35	7992.71	5495.61	5530.67	15963.4	28431.08	13743.45	22354.58	12986.1	13949.78	5116.9	3434.47	6890.43	1151.7	12016.87	16767.05	3981.04	4761.79	3904.5	7415.53	4250.89	3933.44	4246.23	3826.12	4147.04
Labetalol	5569.26	5714.29	5679.51	4276.0	6128.62	4545.97	7473.1	4104.47	5289.82	5322.27	5563.02	5552.0	5128.37	5040.34	5626.12	5560.66	4206.04	8165.24	5547.1	4840.29	6900.76	2840.36	5336.13	5358.05	5029.4
Sotalol	3869.25	5311.44	5310.42	3468.74	2969.57	4767.4	6603.68	5119.38	6437.9	9909.39	4146.94	2442.33	4352.66	3150.29	2479.7	6980.05	3827.5	4101.3	2859.74	4041.08	4532.46	3222.69	7557.35	3908.07	3117.99
Acepromazine	6123.55	5924.18	6046.72	5776.91	7287.1	3774.47	2063.38	5640.28	2600.13	6091.54	5462.53	6090.88	6029.55	3326.07	4638.73	5146.29	5558.26	7226.28	4537.04	4794.9	1476.77	6972.06	2222.36	6131.06	5494.11
2-Methyl-4-phenylthiazole	27145.6	32886.17	4366.39	24350.8	25905.66	6763.78	23952.79	43476.44	40349.72	34063.63	29140.49	42972.55	35014.46	43791.2	41571.69	38129.67	49970.56	34094.22	43255.59	43227.53	44987.45	42267.07	44224.66	47609.44	46140.02
Smilagenin acetate	156899.69	164075.71	158051.38	174983.14	162043.65	182449.83	174166.82	180885.06	182122.63	201296.96	168935.02	161342.0	157568.13	148343.1	149987.31	152106.38	162150.38	159667.32	158584.25	175070.75	147644.29	171378.14	167989.04	172001.94	166489.98
Phenthoate	10139.73	11163.66	11704.85	9980.7	9952.34	10516.87	604.42	11288.74	11734.97	11986.92	10232.02	9887.04	10313.26	9649.25	13275.33	9350.6	14021.64	16405.45	12709.4	13538.39	12222.39	11127.49	10139.47	10519.62	10591.96
TFPI hydrochloride	553.92	8305.62	1237.48	1498.06	1138.04	2816.69	694.53	1259.31	1220.8	1790.83	2734.89	1844.63	1415.81	2753.77	2754.44	2382.96	3289.99	5040.86	2449.95	1029.16	3628.26	3250.28	5525.87	2309.79	2991.09
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol	5495.97	4892.71	6939.49	5635.29	6246.02	6056.9	7058.76	6802.46	5825.09	6697.39	6777.61	6413.09	6698.0	6300.51	7218.71	6706.91	6540.36	7845.23	7487.33	6855.78	7372.87	6856.15	7310.24	7290.97	7053.49
Linarin	20587.02	12827.56	16221.74	21299.64	20408.19	16541.34	19873.97	26896.87	19584.17	24490.81	16825.83	31200.81	23050.24	27228.91	25143.54	30754.39	28349.31	27184.57	25408.42	23874.38	10724.42	30214.96	11726.11	23789.54	21539.48
"5-Fluoro-N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-1H-indole-2-carboxamide"	13277.54	15357.58	25448.41	12526.86	18875.31	36072.55	41026.6	42487.88	20512.95	44701.55	36676.63	14217.53	3282.74	123585.49	25443.37	136421.97	117707.84	69872.04	33137.48	24336.44	44451.33	10839.71	12053.14	87161.09	5360.02
N-Benzyloxycarbonylglycine	6105.02	6150.57	5552.87	3972.07	6545.88	6333.25	5914.04	6566.19	6153.97	6820.7	5891.8	6892.86	6347.75	5819.0	6211.3	6598.33	6679.71	6775.43	7669.16	6976.45	8092.54	7589.31	7432.13	7076.17	6969.05
Tetraethyl pyrophosphate	6981.18	7529.44	6202.05	6032.1	6240.49	8449.71	8301.75	6261.03	6780.62	8055.52	7409.31	6131.48	5783.3	5951.8	5682.53	6426.86	5927.71	7906.04	5938.43	8593.87	5808.78	5868.07	6893.85	6962.29	5168.78
Anabasamine	150727.49	159129.81	119627.74	175538.03	157379.71	181780.08	176591.27	228975.75	194152.99	238841.0	212970.71	155944.72	143126.86	133143.15	156598.11	161558.12	175749.54	163982.21	162355.02	199947.44	120882.62	175651.57	185557.5	181621.03	146251.85
"4-(2-Pyridylazo)-N,N-dimethylaniline"	4480.97	4358.0	4079.84	4803.87	4294.7	4640.92	4329.79	4012.86	4551.25	5035.87	4265.93	4421.07	3916.82	3903.6	3658.84	3918.6	4368.57	4022.19	4092.83	4099.52	4090.97	4188.03	3948.36	4609.37	4425.69
2'-O-Methylisoliquiritigenin	9418.66	7898.38	9036.46	7461.39	9251.64	7171.11	8642.55	5887.3	5600.16	5832.59	5308.17	6691.56	6206.39	8000.2	6726.26	4599.98	7052.74	7408.95	7765.89	6856.92	8703.47	8218.24	6895.33	6090.78	6925.16
Isopropyl unoprostone	1615.37	1769.86	3385.95	1241.55	1759.44	3182.29	3896.02	3752.3	1948.45	3828.77	1671.05	774.36	457.45	10596.74	2492.09	13674.26	8230.85	3844.89	1774.87	1826.92	2629.11	1166.0	1149.08	11357.06	647.41
3-(4-Methylsulfonylphenyl)-4-phenyl-5-trifluoromethylisoxazole	95647.67	95861.61	95589.39	108724.95	106791.41	94210.19	93363.67	95480.67	92529.24	92888.55	106775.41	95383.8	83325.28	97711.07	93312.61	107196.91	94467.36	108723.17	96592.56	97556.87	96275.07	97246.29	96465.6	106509.98	97224.52
Butylone	23356.0	25098.69	37929.68	20413.45	39256.41	50057.98	68034.37	63264.56	53526.62	102765.58	53490.0	21097.09	6407.58	141965.57	37178.13	119455.34	118154.25	107321.35	49687.35	53923.74	76375.23	31172.73	29648.6	148150.08	19073.07
Sumaresinol	54049.12	55933.86	51970.41	64611.53	51385.39	71597.21	56478.61	66546.65	71127.0	73830.83	75916.21	50203.91	44557.17	42247.67	64312.38	67667.58	58356.44	54525.04	47341.94	89323.89	42213.7	55264.0	60697.74	60047.97	49951.74
2-Arachidonoylglycerol	113360.02	118098.49	106646.88	121454.1	109645.26	89303.31	100066.42	97768.19	94184.59	100208.59	93123.82	96908.99	91146.91	76542.64	84065.52	60471.06	73577.27	70275.99	57866.39	64431.04	61452.2	77665.4	28680.98	36765.2	65671.44
Tetrapentylammonium	4558.79	4586.53	3962.24	5070.55	4061.84	4954.23	4505.34	5185.27	5191.23	5385.77	4349.31	4136.67	3443.13	3266.39	3757.29	3908.44	4535.8	4425.21	4130.33	4652.81	3763.34	4335.6	5174.05	4248.14	4049.2
Triamcinolone acetonide	1411.07	1712.43	2495.5	2357.86	1402.7	2147.43	5373.87	2005.33	2180.21	3572.73	4050.0	1390.06	2906.12	2817.14	1930.67	6389.94	3747.2	6041.15	3016.69	2741.24	2416.26	4898.79	1791.23	2668.0	5834.96
Veliparib	9453.7	7710.56	8200.3	9530.84	10778.96	8963.22	7390.32	12959.03	9922.37	11400.71	7675.11	7973.69	5908.89	7784.62	6826.64	7519.15	7143.7	7175.69	7213.64	11739.57	7197.03	8047.31	9044.43	6361.15	6845.94
Cucurbitacin I	27154.87	24352.0	25825.06	29209.74	27501.29	26427.47	47421.05	27172.28	29052.89	27120.95	27156.3	28415.31	26059.98	27598.49	26112.15	28415.35	29568.97	48883.15	28521.4	34164.15	32145.92	31139.43	31939.22	30616.52	30387.67
Prostaglandin E2 isopropyl ester	2882.63	2616.05	1675.7	1647.53	1466.54	2902.66	3745.1	2731.98	5892.58	7002.69	1446.93	3065.91	3010.03	2614.3	2909.51	3530.16	3633.13	6393.11	2236.77	5192.25	3588.96	705.18	2169.46	1526.31	2829.27
Flurprimidol	2227.82	4163.64	2591.39	2319.66	4414.12	4041.78	6806.63	4168.31	4556.36	4833.75	1706.6	3242.04	3742.09	2643.18	3295.0	2888.58	1632.87	6964.78	3610.22	1018.25	2808.14	1591.16	4102.26	3768.38	3128.04
Raltegravir	13675.98	16164.65	25563.07	12520.99	19077.33	39842.06	46104.97	45229.48	21417.08	50617.28	38379.26	14103.06	1438.49	134533.15	26831.92	159395.39	130915.04	77794.83	33713.1	28057.41	52942.73	11486.76	12620.98	99090.69	6059.53
Isovalerophenone	1700.32	1149.81	1976.89	937.23	2119.68	1963.78	2548.21	2533.08	2988.26	2143.97	2141.92	1095.02	2715.48	1983.79	1842.15	3518.69	1891.38	2580.95	1439.22	1840.03	1752.8	1620.73	2315.75	2426.73	1501.59
Diosgenin	123307.46	129148.58	127118.0	136816.53	127792.6	141909.34	135136.11	139538.1	140969.9	154899.18	131527.39	129779.67	123858.54	120456.19	121760.64	120330.11	130619.0	126576.88	129158.97	131596.63	121450.44	130606.65	131850.7	137139.74	132513.49
1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine	3472.97	2461.74	5035.33	2868.93	1804.56	607.38	1723.55	1781.12	1334.21	920.4	463.84	1002.34	1408.82	1327.0	1560.38	1239.46	1224.8	925.27	1265.64	1158.36	523.86	2097.34	1921.6	1604.41	1763.82
S-1 Methanandamide	175550.47	201228.42	201213.79	182257.97	174313.82	219852.62	198992.59	202989.74	198495.17	207173.84	237576.72	232409.93	272685.07	295400.77	276799.07	303678.19	284178.4	276563.53	291785.6	279838.67	321890.07	267921.73	313658.74	327376.28	290501.13
xi-5-Dodecanolide	9334.25	11434.94	10629.32	12858.25	10386.82	10404.45	8930.66	12605.77	14014.57	21270.13	15754.99	11901.3	9798.98	8772.64	9143.99	11264.82	10215.84	10702.21	9599.35	13134.2	6813.24	7295.65	17416.24	11737.15	8425.53
Tegaserod	1352.8	843.37	1568.53	2357.78	2134.03	4914.75	3364.83	2530.57	4057.59	4051.45	2658.32	1219.36	3795.02	2394.42	1017.26	2146.89	1087.08	3966.93	1290.58	4510.42	2738.89	959.48	1124.95	2833.63	980.56
Tyrphostin B48	3067.52	2856.78	4369.06	2735.54	4305.96	3055.74	1006.21	2677.91	512.7	2462.13	888.48	5425.98	7261.05	3073.93	6687.98	2330.54	4114.13	4594.86	4112.27	2530.72	1411.81	6538.32	2593.64	4004.22	9050.94
Flonicamid	29359.3	36177.55	31044.93	30621.99	32034.18	31046.56	41046.08	30535.92	31172.53	29351.08	29172.63	31232.1	32614.58	29470.91	28706.54	28818.65	30924.38	36083.74	28980.2	29561.4	28339.2	29292.16	28988.46	29764.08	27597.21
Prostaglandin f1alpha	3189.04	4190.06	2503.76	1436.69	831.68	2742.23	3852.47	3268.9	3294.18	1796.83	4259.07	3076.58	5555.66	4114.33	2341.68	4517.47	3019.12	6233.03	3523.6	1246.76	1166.79	3560.53	3059.06	5451.57	5438.95
Alendronic acid	13870.56	13217.24	14667.19	12622.91	13640.47	18100.25	14942.68	16014.98	19336.43	17316.21	17556.69	19563.66	16547.38	21760.19	19507.51	16484.37	21624.08	10993.66	22076.91	19369.37	19812.23	17757.57	18565.84	22475.24	25346.4
N-Methyl-D-aspartic acid	8339.89	8439.46	8322.87	8220.33	8754.84	7437.25	890.08	8803.9	8325.32	8073.29	9272.72	9471.31	9555.57	8613.88	8142.59	9119.17	8875.09	1754.06	8878.16	8507.77	8704.98	8051.55	9065.18	8045.64	6055.24
2-Mercaptoethanesulfonic acid	2987.59	2233.1	1984.17	1957.32	1301.64	1453.77	2481.06	2103.84	1354.37	1580.66	1956.61	1941.98	2743.96	2511.49	2607.49	2765.13	2310.98	2413.06	1884.41	2475.97	642.4	1803.04	2292.58	755.85	1357.36
Trans-Zeatin	2174.21	3485.72	2395.19	2495.37	3546.09	6967.28	5946.42	4942.84	5299.09	5106.14	3319.49	4427.6	5216.71	4166.68	6006.92	5339.79	4824.67	4502.33	3971.6	5124.75	2111.38	4122.31	2758.22	4241.38	3017.64
Ancitabine hydrochloride	19043.88	17243.07	15759.33	20599.62	16127.34	27738.15	16267.75	18940.18	22466.39	25449.76	25232.65	16087.34	15117.72	9241.74	13941.72	16318.09	16656.93	16868.92	16429.64	20993.09	13064.91	16378.48	25197.8	18837.36	14480.01
Crocetin	17350.35	22168.07	15137.29	16780.08	14473.95	21354.69	20686.21	24029.64	19011.23	25864.63	18812.26	15789.85	15607.42	17599.9	22892.42	19558.0	18834.44	22516.93	21010.4	21301.26	18925.51	19243.12	29509.23	22845.87	22651.66
Propoxur	16699.32	14704.91	14756.55	17730.22	13727.91	27274.61	14781.51	17398.44	19131.28	24983.53	24034.97	13937.17	14072.77	12452.55	13654.51	14771.68	16317.02	16784.41	15233.39	21509.48	13179.77	16387.32	26387.78	18419.74	14549.57
(+)-Isomenthone	20128.48	17016.4	21825.26	17417.85	19515.62	20999.07	26029.3	20540.53	22406.46	24414.81	19770.31	18108.81	18006.59	16488.24	18910.88	20107.31	21830.3	24739.91	17034.21	20611.61	20692.41	18713.1	26523.33	22821.32	18855.55
Imperialine	4254.2	4406.23	4363.7	5412.69	4515.28	3111.27	4206.4	5370.17	4122.02	5350.29	6527.67	2904.73	1257.8	3028.28	3723.21	4719.6	4076.24	2358.18	2023.1	4476.62	3579.77	2563.95	2009.57	6332.9	2976.28
4(5)-EpDPE methyl ester	4819.4	5787.41	5051.83	4849.48	4610.33	10336.93	2638.66	3020.87	6276.56	5901.11	7783.42	4147.19	3159.99	3977.71	3565.66	3389.38	4012.81	4185.09	3911.46	5265.11	3519.42	1811.17	5587.25	4653.65	3991.43
CAY-10487	2603.22	2453.61	1087.96	2983.1	2615.36	1526.54	2538.98	2008.13	2455.25	5009.04	2043.36	1488.15	2320.72	4491.68	1205.97	995.42	3537.83	2635.84	1387.03	2568.91	1067.07	1385.35	2418.92	2118.27	568.81
"S-(1,2-Dicarboxyethyl)glutathione"	17269.51	15908.14	14408.79	16362.26	16800.41	13672.98	14411.46	14638.66	14424.25	13452.83	11951.24	12928.74	10388.83	14345.28	11245.8	13698.54	13481.39	12908.55	8520.89	10006.22	14006.08	11711.92	11485.54	11596.6	13375.59
Ursinoic acid	50110.56	65609.0	46536.49	72453.92	68209.31	41821.64	6414.68	49319.55	58999.09	57035.05	83585.98	105893.91	92201.36	86069.15	66443.66	60531.5	95539.01	45087.58	85958.19	60248.5	70688.51	66906.71	112173.35	82754.9	70710.28
Buprenorphine	1796.36	2515.31	1728.34	3056.61	2506.86	2403.69	2221.55	4346.11	2068.9	3564.68	1460.25	2805.71	2222.93	1077.57	793.83	1506.76	1290.02	2469.55	1472.22	3264.82	2063.32	737.26	2094.2	2138.3	1750.02
Nomifensine maleate	2544.23	3113.56	2370.34	2542.08	2474.31	2966.86	1241.23	2337.13	2018.68	2785.2	2526.82	2402.42	2693.13	2425.0	1475.89	2272.6	1886.53	1049.15	1522.14	2188.84	2559.85	1115.76	2586.16	1514.21	1875.7
Clomipramine	11422.29	12919.2	11272.91	10194.47	2024.1	12282.14	11662.45	11960.88	11144.17	12229.54	11137.04	11245.53	12239.18	11301.88	10517.22	12447.24	13257.07	12186.34	13375.53	12869.97	15634.29	14468.39	12659.94	12847.72	12668.3
Saikosaponin A	14256.61	14596.1	14964.86	14795.13	14473.16	13818.03	23346.56	14586.74	15985.99	14806.56	14190.12	14080.96	14082.34	14335.14	14585.98	15359.2	13586.58	22498.83	13991.45	13786.58	14948.96	14392.39	13311.65	14820.71	15292.86
1-deoxy-D-xylulose 5-phosphate	12114.33	8648.32	7543.92	14193.21	9979.61	9594.35	13228.8	11086.53	13008.36	9735.53	15101.92	13197.75	12077.02	10011.27	15526.71	11748.94	18559.72	15819.98	17118.62	7231.27	20478.29	25253.52	27369.35	16745.44	12495.92
Quinalphos	47117.0	54676.83	59773.88	54522.35	81057.13	59020.82	15703.72	42059.23	71336.16	53280.63	68584.58	62340.25	40860.99	70878.54	68898.53	41353.22	57119.93	18890.78	69286.4	44673.82	103725.93	65856.69	77641.08	64037.96	92791.6
"1,2-Dibenzoylbenzene"	9750.79	8362.28	7859.51	10448.43	7933.67	14352.65	8564.02	9384.69	10376.9	12412.68	13561.07	8198.05	7887.21	7067.0	7905.64	7731.03	9155.73	8463.74	7925.07	10385.86	7760.66	8607.2	12472.52	8502.25	7537.03
Esprocarb	27800.44	24414.6	22966.77	31053.03	29816.44	29386.09	31662.53	36266.51	30002.81	35817.91	36013.91	26535.65	22824.66	7183.35	26241.55	25049.37	26304.43	25576.36	23031.37	42634.57	19911.8	34458.27	39032.13	31890.04	23577.12
DL-3-Phenyllactic acid	22936.09	22396.52	20579.79	20842.51	23878.25	17897.46	16438.99	23452.47	22386.68	20987.46	18143.25	17627.59	15794.44	17666.28	20317.04	16966.56	18747.5	17255.4	20835.18	20181.29	17493.81	21597.28	15848.32	18159.34	29222.54
"N,N?-dicyclohexylcarbodiimide"	3798.86	4406.76	4167.92	3989.94	4607.34	3996.1	6203.42	3519.37	4337.03	2205.36	2520.59	3915.12	4098.12	3197.67	4394.62	2176.89	4210.92	3883.74	3080.67	4593.48	3121.93	4635.0	4990.14	4720.86	2971.84
"6-(2,6-Dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2,3-D]pyrimidin-7(8H)-one"	264272.76	256292.67	258633.71	263611.72	263894.27	263260.18	242238.9	259643.4	267621.52	272535.74	259480.8	266512.82	259016.71	259718.73	244447.14	239566.17	239833.61	245146.06	222730.76	240452.47	249732.66	253539.05	245062.67	254071.49	257913.76
N-Butyrylhomoserine lactone	2969.56	2129.48	2611.12	2457.63	2747.43	2073.04	2807.99	2811.55	2865.54	2596.36	2483.88	2794.33	2637.55	2278.51	2006.33	2840.32	3108.68	3643.23	3327.83	3286.44	3729.0	4134.26	3156.25	3589.11	4279.99
beta-Sitosterol	696.97	1174.44	868.54	1182.03	3212.98	2328.41	3644.36	6408.12	7006.01	5580.78	6292.48	7783.69	3574.02	4048.35	4295.54	5311.61	6070.48	3902.42	5871.7	6710.82	4663.23	5922.43	14129.12	8088.85	7513.65
Thiram	5938.66	6657.24	2709.2	6203.89	6128.71	7229.22	6569.47	7918.42	7476.44	9241.79	8863.67	6036.97	5147.94	4883.91	5399.3	5455.03	6500.7	6314.37	5457.69	6966.47	4377.75	6563.36	6808.61	6569.64	5373.43
3-hexanoyl-NBD Cholesterol	3854.82	7324.63	11413.4	6310.65	8030.89	7804.08	5882.08	50071.6	23140.54	6790.7	9217.21	9039.38	22395.77	3435.58	4896.44	2213.53	1663.39	10574.08	2777.87	2060.56	9247.24	1205.88	2422.58	9847.41	1432.76
Verapamil	7672.84	9775.9	14861.66	12138.4	17825.55	9644.43	12355.04	11725.2	9319.86	13181.92	12568.77	14213.79	14951.85	17573.52	22144.11	15977.16	12932.31	30500.41	18831.56	15095.36	19670.72	17226.14	15706.65	14861.15	21266.4
Ercalcitriol	21782.63	21620.65	21063.98	22844.29	27202.16	26523.72	31063.3	34288.9	35686.43	27839.79	35200.01	25432.12	17465.11	17453.67	24909.13	25121.93	20392.82	18427.01	25666.34	32905.67	22250.89	21667.52	23503.0	28975.96	17519.0
(3-Acrylamidopropyl)trimethylammonium Chloride	877554.23	904979.91	899105.62	909294.99	906504.52	899006.83	1477952.7	930366.97	900236.37	895781.67	885321.01	914656.04	935789.89	925267.54	935068.29	924467.42	898590.46	1474312.52	926581.29	919382.01	940746.78	911357.17	925060.57	922385.13	900657.47
Makisterone A	4251.21	5284.85	2667.89	3078.11	3838.72	2738.08	7820.19	3106.99	5985.34	6294.67	9197.46	5366.0	4941.24	11121.19	9516.1	11094.17	12921.57	15745.36	7666.82	12439.6	12548.86	4675.78	8086.55	6533.27	9019.75
"(5-amino-1H-1,2,4-triazol-3-yl)methanol"	2345049.54	2638777.15	2429138.65	2570637.19	2460820.92	2154543.47	2026309.53	2235594.83	2285907.98	2191434.15	2700089.49	2366204.81	2504518.44	2330766.2	2423004.84	2335852.77	2390742.49	1314035.18	2152653.44	2214858.09	1961207.55	2477008.16	2175888.61	2399469.99	2175889.4
1-Naphthyl glucuronide	9157.76	7675.78	7216.41	8776.46	9257.23	4961.33	5048.72	4888.9	6485.25	4602.13	6678.04	7489.62	5380.68	6598.88	4466.88	4186.85	3761.03	4955.8	4691.71	3383.29	4357.78	6188.17	5819.49	4364.9	4301.19
Puromycin	4988.38	4556.52	3929.54	4490.28	4385.42	6405.89	2305.52	4315.3	6220.52	4375.11	4839.07	5412.0	6956.43	5030.89	10560.19	7302.48	5338.5	3078.85	5548.22	5018.49	4729.56	6370.6	4596.91	5241.19	7976.43
Linalyl acetate	7803.64	7977.82	9103.47	8301.65	8451.6	9016.03	13005.7	7805.34	9701.67	8152.84	8469.88	8594.18	9146.23	8649.31	8698.54	8762.98	8701.06	12745.94	9352.74	9635.04	9449.96	8827.26	8834.68	9341.23	9203.66
Met-Asp	1116.68	739.66	1330.28	1253.58	1059.51	1133.97	805.87	840.58	791.18	1686.87	847.25	812.08	1409.98	1202.81	746.45	679.98	1226.63	1351.74	886.02	1301.49	1745.92	1548.17	1457.4	1473.05	1380.19
Gly-Gln-Gly	13348.83	12228.61	15491.86	12145.21	15894.18	18285.21	53352.92	19144.14	16975.23	17893.57	8818.09	10351.49	5718.48	11100.55	10641.15	10527.61	10930.71	47505.8	12109.87	23590.15	6180.77	11853.58	10428.44	11899.4	13561.79
Maprotiline hydrochloride	3314.77	2776.8	3886.34	3522.46	4509.84	3711.99	6124.41	3329.2	3427.66	6098.53	4431.31	2363.37	1616.48	5683.25	4000.29	6082.19	7869.71	6160.8	3880.36	3640.42	7334.07	2824.05	3490.98	5251.85	1647.32
"11,14-Eicosadienoic acid"	6429.88	6523.75	5352.88	8233.06	6979.89	6898.85	7403.45	11041.85	9277.94	10056.95	8164.0	6388.25	7897.44	7294.06	8731.91	5587.86	10113.0	8496.35	7218.12	8058.38	5983.4	6592.61	10243.14	7873.4	7041.91
"2C-Methyl-D-erythritol 2,4-cyclodiphosphate"	8214.16	4337.8	7920.16	6967.6	5137.96	9229.86	7872.85	5574.53	7223.55	7627.16	6638.58	8457.4	5868.63	5771.95	10320.03	7022.64	8892.43	8946.56	5638.64	8561.53	7967.45	4381.84	4869.63	17970.57	35205.14
11-Aminoundecanoic acid	4993.65	4792.91	4870.27	5212.58	5713.15	8676.12	4827.04	6164.49	7295.34	9117.65	7266.03	5264.22	4850.12	3750.66	4150.6	5001.35	4611.46	4726.38	4094.81	6255.53	3716.12	4643.99	10665.48	5706.34	4583.82
Simeconazole	2034.37	4320.7	4966.61	2022.73	2106.44	3985.95	11153.77	7930.61	4881.65	13622.85	3688.62	1241.2	355.24	24362.17	5143.83	32221.8	14223.91	8209.71	2240.65	4359.09	8171.45	2575.69	1021.69	17073.98	419.75
TG(8:0/8:0/8:0)	13753.98	13365.26	11094.2	14381.23	13346.64	12110.28	12758.6	14207.48	14531.69	16784.06	13427.91	12219.82	9258.0	11174.11	10334.84	9713.72	10280.33	10088.95	11478.88	13303.21	9279.09	11214.78	12899.75	9873.87	11576.92
5-Methoxyindoleacetate	4031.31	3610.93	3974.39	1585.4	3633.93	3971.97	3924.69	4003.87	3811.28	4725.76	5224.79	4409.08	3773.95	4520.03	3766.58	4335.28	4278.29	4067.25	4318.21	2630.19	3637.93	3778.9	4323.41	4564.89	3657.08
Dodecanedioic acid	8848.89	15924.63	17663.51	16566.93	15839.2	18251.21	19630.25	20499.15	18092.71	17774.96	27209.56	24353.56	16383.43	26700.49	15860.9	17852.1	16907.22	46377.25	10851.95	17263.86	18362.34	23923.53	22032.81	18803.21	44663.28
Lupenone	85374.48	85530.81	77840.55	95546.41	85372.44	110373.84	94142.7	126292.3	126746.0	130849.25	108258.49	85526.77	79562.28	73235.96	78579.02	84976.01	94919.89	92551.02	85047.31	104709.99	72511.94	112271.42	106323.13	94662.27	87311.11
Hydrocortisone hemisuccinate	6932.23	5413.98	4915.99	4114.2	3732.53	4417.03	2458.87	5704.26	4549.95	4114.1	3822.29	3743.44	2970.2	3217.55	3618.61	3665.98	3258.81	3127.58	2406.16	5240.89	3770.18	3403.99	3859.89	2364.67	1001.55
Malonoben	3762.04	8040.54	5826.22	4178.85	4455.53	7956.29	8898.53	8742.12	6502.62	7306.48	5585.46	3452.02	2628.78	5211.26	5724.96	6621.83	6402.4	12193.73	7143.12	6465.94	6723.58	4953.04	3878.36	4280.03	4295.77
"Arachidonoyl-N,N-dimethyl amide"	13917.92	14123.93	13883.39	10986.96	11446.81	12410.02	13799.65	13626.62	14750.6	14514.03	15215.94	14754.46	11739.11	15329.77	15327.65	16207.87	13295.66	12727.25	15268.72	14132.29	11178.37	14434.59	16060.21	14923.81	15199.51
Methylphenidate	5488.46	5458.53	6777.54	6296.33	6325.11	5879.99	5271.48	6695.19	6773.04	7207.45	6924.56	3231.65	6653.62	5700.68	6153.15	6793.32	4906.63	3740.76	5851.68	5738.51	6835.84	6660.28	4165.05	5034.28	6418.1
"6,11-Dihydro[1]benzothiopyrano[4,3-b]indole"	39142.6	19934.28	147823.09	36827.54	134600.56	54228.87	44165.81	63461.33	40631.84	40511.12	61639.73	83691.45	65929.97	71564.22	47569.42	61167.87	68675.34	74875.42	63679.55	52834.13	40332.66	46159.39	54719.58	59726.22	36580.99
"Santonine, oxime"	2540.34	3309.05	3558.39	3122.77	3310.3	3754.2	1111.87	3916.67	3932.67	3630.47	3637.71	3869.22	1890.47	3383.6	3344.06	3530.57	3739.82	1809.93	3525.75	3711.81	3715.19	3886.93	4692.94	3728.68	3787.73
3-Phenylphenol	19058.84	20247.11	22861.98	23275.67	24795.61	28644.98	19996.56	26801.45	26279.31	28694.14	24170.82	25305.25	28488.59	25860.37	25442.84	20013.54	20860.24	15447.91	18998.07	19478.67	18689.71	17993.19	17078.17	18477.16	20044.69
Geraniol	3638.57	3550.31	6497.76	4713.94	1425.59	3254.52	5015.81	3746.07	2880.62	4102.9	3195.63	3879.42	3328.9	3493.13	3777.6	3694.73	2911.57	6668.17	4809.19	2282.82	3737.17	3107.58	3211.14	4813.49	2956.32
"Methyl acrylate-divinylbenzene, completely hydrolyzed, copolymer"	326581.31	323967.7	304279.73	327075.91	317227.25	325919.93	384198.98	335316.63	333300.93	344017.66	331224.83	325724.08	334685.53	327210.98	332431.82	333960.3	329344.88	377362.8	328594.56	319330.76	322079.09	325296.94	269925.05	22681.14	301410.17
Naringenin-7-O-glucoside	11856.66	11378.1	10809.52	10710.95	11595.3	12012.37	14178.28	12186.11	11810.72	11898.62	12200.1	12863.74	11583.47	12724.0	13037.81	12629.96	12160.87	13436.28	11296.18	11455.96	11545.28	10792.97	10948.94	12227.9	10593.12
Homoeriodictyol	6385.86	6816.92	5730.15	7424.74	7482.36	9176.02	7932.74	8508.34	8482.4	9961.51	9885.4	6687.35	5738.95	5849.29	6760.15	6964.76	6833.51	7905.59	6780.96	8797.82	6157.94	7935.15	8566.03	8282.64	7171.98
alpha-D-Galactosamine 1-phosphate	12380.56	19473.45	15664.68	13565.54	15168.57	14042.71	10252.76	14010.44	15837.13	12868.29	12025.94	13363.67	11439.8	14453.61	14075.58	8938.5	1326.99	2882.16	1269.2	2672.52	10038.37	19561.11	14421.63	13693.85	796.32
Prosapogenin A	9634.29	10545.61	9146.28	11601.6	10640.8	13493.04	11335.33	12414.16	13145.63	17351.08	14574.22	9468.31	10418.07	9014.94	9984.0	9661.24	11975.21	10957.35	11213.62	13627.77	8916.07	7282.81	15403.64	11833.96	12205.36
Argatroban	845.62	694.24	498.39	807.97	934.8	2011.27	1568.79	973.9	1464.07	2182.72	3081.66	619.35	418.27	5980.06	815.37	7719.64	4662.4	3017.38	1597.44	1133.66	2041.77	547.73	408.56	4963.86	24300.92
Ajaconine	3199.41	2679.48	2722.88	3137.23	2520.5	1666.55	1475.11	849.23	1731.39	3064.28	3331.39	1899.77	2989.92	2306.61	2488.71	1898.22	2031.76	1671.36	1764.33	2727.95	1757.65	3352.01	1903.67	1882.67	1968.64
protoveratrine A	23626.26	23612.15	18466.81	20462.99	22910.59	26336.58	28684.18	27568.64	30754.39	25957.35	23805.32	16465.08	16276.06	14281.98	21174.32	21559.2	24095.21	16185.12	15299.9	32461.95	13860.88	31711.66	15510.46	14686.7	19187.09
Ginsenoside RG2	15922.36	15994.61	12888.73	17227.43	15571.4	20432.6	17752.4	19718.33	21456.54	23606.48	22581.86	15513.68	14405.31	11485.11	14450.88	14767.48	15679.23	15548.44	14189.08	18439.13	12123.47	15605.5	17865.17	15914.11	13428.99
Cyclic AMP	58051.58	55286.57	90352.98	56689.0	56785.28	57228.1	56609.35	107573.22	61990.78	61448.96	58287.98	64406.59	106882.08	63932.07	68978.74	69268.15	62728.55	62086.95	67984.46	63145.72	136867.7	105672.74	64094.62	102493.35	60955.85
Desmethyldoxepin	4604.03	8044.83	8289.62	9091.75	6008.83	6154.32	11640.04	14420.5	12634.48	16984.91	13576.12	13059.74	12150.79	11306.47	13244.46	18427.78	12558.01	12143.03	12839.77	13986.01	12685.35	4846.14	18346.82	11489.39	11517.58
"1-(2-Hydroxyphenyl)-3-phenylpropane-1,3-dione"	12364.9	8620.6	8384.53	14078.56	15802.9	21601.25	12575.32	13756.35	5768.19	15139.33	9197.08	9255.04	23426.6	21365.39	17405.95	13771.25	12121.12	4429.77	8485.6	15419.69	3646.22	10067.24	14990.62	14807.79	10568.05
Tetramisole	2660.32	4358.27	6215.03	2077.27	5542.71	5742.89	3176.87	5028.13	4489.34	5722.04	4732.06	4339.48	2643.52	3675.56	6346.29	3957.17	5240.16	6050.71	4351.85	6911.85	4762.91	5421.08	6169.24	5978.72	6815.04
Asp-Trp	9823.84	10236.4	11851.61	10149.56	7669.52	7115.74	6639.69	8516.98	7549.32	9589.13	13090.09	10208.06	10408.46	9593.45	12028.27	14931.28	12441.89	7176.9	6142.0	11176.0	9857.65	13369.72	10958.56	12905.64	15462.77
1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine	40211.21	396394.97	19783.42	26651.21	13409.4	3932.78	485.75	22932.44	321453.62	213792.29	104367.48	104972.17	284589.18	122767.5	209008.71	578060.28	244929.06	436887.93	20313.24	509281.77	100396.58	120565.15	500908.42	352328.17	110346.84
Palmitoleoyl Ethanolamide	22210.07	20535.53	19770.58	15714.59	17349.44	20115.11	21649.35	23931.39	21529.78	21327.08	15558.92	16259.03	16197.51	14633.03	19137.4	16658.49	16407.14	17232.78	18824.6	21687.01	21372.6	20095.5	20487.85	19268.96	17064.47
p-Aminobenzoic acid	1934281.76	1566622.04	1670239.24	1596324.2	1503911.15	1265567.88	1808720.18	1408012.47	1468244.85	2041479.68	2480932.79	2031142.44	2055481.49	2084164.63	1869086.7	2052032.93	2308544.96	1660766.11	1855393.81	2250071.36	2219796.43	2229352.23	1882494.66	2297515.75	2196459.25
Daidzein	6413.79	5782.44	5730.67	6653.08	6087.69	5457.74	5260.83	5782.93	5184.09	6382.88	5597.47	5412.23	5110.46	5762.87	5405.17	5335.45	5150.08	5388.34	5881.25	5654.96	6202.55	6569.9	5682.09	5358.93	6059.35
Ethenodeoxyadenosine	74855.53	79629.35	54450.86	64807.44	71043.73	56046.12	49159.04	65699.08	70570.67	48062.01	62162.59	52556.85	51181.43	56606.81	60534.54	53636.67	64564.17	56585.56	74565.21	68167.53	61527.73	67570.68	52849.34	61466.77	96896.29
N-(3-methoxyphenyl)-4-chlorocinnamanilide	2533.39	3047.74	2752.32	3035.54	3744.62	1951.22	630.1	2188.48	2234.14	2054.12	3637.63	1236.33	1375.92	2083.35	1869.98	2938.01	2235.81	1496.74	1574.89	1067.43	1687.39	2262.42	2092.39	885.86	684.97
Osalmid	43878.64	35431.28	33689.03	44291.06	46682.36	28090.81	36241.54	33528.45	42121.43	32119.54	23890.16	32479.35	14283.88	11254.51	15452.27	9736.56	10276.03	20240.92	16974.32	35217.11	14316.9	32956.03	26352.99	11285.03	19145.8
Azelaoyl PAF	1809917.03	2026302.7	1810311.61	2174370.49	1957182.41	2370305.58	2130716.48	2349047.55	2439254.05	2715799.59	2250144.44	1941605.89	1932159.76	1703965.29	1850643.42	1775704.72	1949313.27	1924632.5	1898655.14	2300484.02	1720250.61	2069989.09	2050120.98	2066495.41	1995504.32
Phe-Asn	583.58	927.89	1140.13	743.66	2887.1	6128.3	1032.66	4928.91	1077.82	4847.79	3602.27	731.23	970.21	14583.42	4715.71	15344.32	12590.65	7172.64	2079.39	1972.8	10396.83	573.09	936.98	5628.81	1027.2
1-Heptanol	4548.48	4955.93	5929.71	3570.33	6445.82	8944.56	11839.08	6437.21	5775.96	12852.83	5111.95	6092.15	3355.65	8569.75	6179.94	18100.96	13878.41	12845.94	9793.54	6483.98	2704.52	2583.64	3425.91	5617.79	2378.24
Pyrazoxyfen	2377.06	1599.72	1748.51	2088.23	2357.3	2577.66	2380.79	2700.34	2874.65	3483.22	2056.99	1330.56	1740.75	1905.51	2006.8	2137.68	2277.3	1628.79	1387.45	3030.33	1099.56	2263.38	2804.35	2650.53	1688.98
1-Palmitoyl-2-pyrenedecanoylphosphatidylcholine	1019.72	1099.63	280.93	971.44	974.53	1206.3	1502.9	1603.79	1693.44	1106.87	486.32	919.75	538.21	1159.22	789.37	664.66	954.2	341.77	1109.51	340.26	1242.55	1129.26	989.02	667.53	857.96
Resmethrin	2656.25	2723.52	2154.99	2840.63	4269.79	2703.6	2542.81	2934.07	2502.09	2358.78	2481.68	2468.05	2148.06	2453.89	2425.19	2410.23	2177.48	2725.09	2936.27	5138.56	2348.03	2255.7	3134.5	2525.3	2445.56
"5-Methyl-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-1,3-benzenediol"	8049.22	7995.31	7006.19	9878.19	7805.85	11153.37	7750.02	9659.65	10718.91	11381.91	10543.85	7595.95	6913.0	6847.02	6121.64	7531.66	7424.42	7244.47	6893.95	9298.31	5322.39	6705.59	9640.79	7962.76	7111.58
Oxycarboxin	59246.24	55742.82	57566.47	59525.33	59478.43	40741.08	47508.88	40244.78	42700.72	40837.02	52704.08	48262.55	38826.27	47265.52	34338.06	39883.04	24267.15	44054.06	37447.43	32834.29	49972.23	43960.43	47407.44	31569.04	39420.93
Sequinavir	4717.27	6087.45	3849.73	5339.68	5115.49	7466.64	5400.28	7353.91	6143.25	7018.81	7375.9	4606.46	4818.37	3554.54	5475.36	4751.07	4402.87	4747.0	3922.67	7284.85	3893.82	4174.75	6077.26	6087.99	4834.13
27-Hydroxycholesterol	63421.78	63271.12	63862.68	64800.41	63541.8	69539.96	66138.28	71927.98	69757.89	75489.67	65577.56	61876.28	62754.31	58896.93	60863.29	62923.15	61881.91	62147.29	57079.07	75027.2	54022.29	64048.45	62615.49	65374.29	61221.07
Acteoside	4227.87	1739.28	2154.31	1689.15	3912.95	5008.16	5252.8	3959.82	4211.55	4203.4	3184.12	1582.89	1377.3	1745.97	2839.64	3341.72	3184.97	2157.59	1465.7	2894.0	1211.65	2764.27	970.89	2028.34	2286.66
Heraclenin	18668.3	15838.37	15140.62	14517.71	11127.96	21790.03	16954.41	19361.43	19689.62	20272.45	18712.8	20735.72	25206.62	19520.87	23328.72	23381.54	21993.41	18895.18	15402.94	23978.81	16605.58	19644.49	12984.7	20607.18	6191.54
Phenyl aminosalicylate	24613.63	22497.93	22067.61	23306.97	18206.32	30900.44	22615.4	35159.96	25590.78	24600.42	24251.42	23221.99	20423.93	24726.35	24133.28	24186.07	30398.76	24890.45	22246.2	20135.4	12843.59	17228.84	12138.8	21434.22	20325.87
Tetradecanoylcarnitine	2576.24	2730.04	1888.64	3229.37	2869.06	4048.94	1837.63	1865.69	2470.74	3031.36	3938.58	1762.24	1875.14	1034.72	1598.29	2084.41	1677.55	1546.83	1670.81	2496.83	1220.45	1761.66	1984.84	2018.34	970.2
"(1Z,13S,14R,15E)-1-Anthracen-9-yl-14-hydroxy-13-(hydroxymethyl)nonacosa-1,15-dien-12-one"	23668.96	27849.12	28641.32	27557.91	30812.26	31280.59	47664.24	33706.07	36594.51	36887.35	45755.7	41370.72	51268.58	53271.69	48832.94	54406.04	59729.94	88885.67	59488.56	65128.14	69462.87	68446.37	62626.0	67547.68	73882.12
"4,4'-Methylenebis(2-methylaniline)"	82240.0	74551.53	63556.75	87986.07	64087.33	120810.94	76424.2	81191.03	99364.92	120430.33	114796.62	72208.8	66241.08	56823.38	58552.6	72473.08	68717.13	75087.25	66929.06	85310.09	54403.02	66977.8	120639.72	75693.14	65044.69
N-(Hydroxymethyl)nicotinamide	17885.95	20959.25	15586.78	14577.38	14764.26	19708.96	2904.61	23848.43	5828.77	24888.2	21691.42	18452.68	8193.15	12146.04	12211.47	17396.58	17763.98	1105.86	14050.69	12188.62	19628.32	18108.27	17239.44	20718.72	14680.65
Ethyl linoleate	41887.24	38990.33	34276.66	33600.7	34594.18	19022.13	20726.89	19466.14	26493.31	21868.07	14003.9	15368.67	13748.59	17164.96	13157.67	15551.36	13076.7	11189.76	20211.84	19118.52	18425.19	37320.72	18872.04	18913.94	23253.18
Stanozolol	3586.21	3222.0	3553.77	3157.55	3060.55	2839.39	3659.95	2926.98	3952.22	2752.29	2328.45	2954.49	2971.52	3296.17	2697.15	3031.52	2788.47	2981.63	2639.79	2508.03	2938.01	2886.2	1090.43	2884.27	2667.55
Dehydroabietic acid	4104.04	1862.93	4069.12	11133.19	1015.15	10699.05	7447.07	3218.56	1595.64	1914.41	3384.07	2003.09	4045.99	2988.94	2518.11	2333.75	4627.87	2103.5	2181.14	954.95	5252.2	7285.92	7902.53	4637.16	2159.98
2-Chloro-3-Deazaadenosine	9618.74	10467.66	9150.81	9268.83	10915.88	18460.68	16258.4	16637.86	15276.18	14927.15	12438.7	12605.9	13362.48	12384.64	16551.76	15319.58	13080.97	13465.7	11009.16	15579.67	11207.14	12230.52	8358.31	13726.25	15372.01
Chlordiazepoxide	8200.04	7965.16	7485.77	9034.07	7907.95	3948.74	7487.16	7744.61	7804.69	8102.06	8111.63	7188.19	9317.32	8088.39	7407.5	7913.72	8486.18	6822.93	7602.47	7988.29	737.51	7178.05	4904.31	3097.35	4835.65
4-Hydroxyphenyl thiocyanate	2287.82	2680.54	2183.48	2716.38	2534.26	2677.32	3635.93	2175.46	2562.17	2636.05	2153.71	2446.24	2733.74	2448.6	2732.07	2792.69	2511.4	4450.35	2591.81	2563.79	2525.24	2621.22	2689.23	2481.86	2825.85
Cauloside C	4996.76	7401.21	5402.83	8167.31	7066.15	10308.7	8471.57	9376.59	9582.44	9128.11	10214.62	8319.72	4688.74	6011.76	7473.35	7155.58	9925.85	8177.55	6684.9	10004.23	7138.01	9750.8	11205.28	8707.24	8124.0
Tyrphostin A51	3760.77	3335.47	3186.44	3347.21	3424.62	4193.7	3353.1	3501.38	3626.73	3943.19	4256.28	3568.57	2741.39	2852.95	3557.84	3588.93	3650.67	3041.56	3252.69	4687.58	3488.63	3981.19	5341.73	4631.57	3459.57
"N-Benzyl-N,alpha-dimethylphenethylamine"	10232.77	8970.19	14470.77	9636.72	10506.1	10106.44	14956.87	9251.17	9491.99	8341.26	7925.12	7209.36	10404.64	8256.0	8062.65	5836.43	8750.34	10294.77	5046.31	11838.57	8465.51	3229.18	7097.01	4523.29	7954.52
Rivenprost	1903.43	2002.34	2075.48	1872.84	2730.44	2548.52	823.19	2170.68	2260.04	1788.46	1535.14	986.87	2296.95	1374.85	2310.81	2534.02	2422.07	2385.86	2432.36	1940.78	740.56	3606.79	1338.53	3064.68	1997.92
Profenamine	5521.77	5536.15	3906.53	2951.23	5674.69	3570.87	8494.44	2097.53	6658.45	6110.93	6319.3	8787.52	6228.59	6379.92	6356.42	5304.94	4944.63	8089.11	6202.88	2603.07	3029.78	4671.11	3254.39	5410.67	4069.13
DL-Homocysteine	3727.35	2584.86	4997.61	2247.01	3086.42	2271.55	4218.17	4006.58	3550.09	3724.0	1985.21	2657.04	5450.43	1978.74	4380.5	6223.31	7373.96	6141.09	3771.33	6006.39	5552.23	7656.37	5277.16	8180.25	8444.02
Famprofazone	19657.74	22004.93	22651.97	24028.15	27680.62	34741.4	18212.24	18705.55	23355.81	39724.81	30167.0	20632.41	20857.49	14435.89	19456.3	18987.92	25652.11	22998.19	18228.79	33009.69	16253.09	21553.24	26779.59	32023.29	17396.04
Ginsenoside Rh1	15431.77	15852.7	14430.73	14882.38	14474.77	12947.76	13196.22	15160.51	10165.36	9827.63	10766.82	11725.63	10188.96	8642.12	9580.5	8317.68	10861.3	10635.09	10733.61	9425.83	6892.78	9871.07	7369.44	8068.19	9767.21
PS(18:0/20:4)	58753.62	67156.29	55797.92	68247.72	64332.97	75764.55	67211.85	71989.52	79325.99	90397.69	76018.42	66912.57	64578.87	57437.54	59682.69	57899.71	64395.66	61986.14	64366.58	75410.43	58549.68	68095.63	68187.85	71036.01	66509.41
Arthonioic acid	7295.87	10501.58	7395.79	7146.15	8719.84	4231.52	2765.37	4352.09	9107.81	2441.54	1575.74	3465.53	4453.2	4085.46	9031.85	6254.98	6918.96	7723.28	8976.2	4662.45	4049.74	11431.52	2446.55	4345.59	13965.6
Farnesyl acetate	3848.51	5039.58	5177.2	5360.26	4693.01	3743.65	9273.16	7772.96	7444.88	11866.48	9299.24	7793.58	7241.73	6977.04	5216.43	9794.59	5554.88	5970.02	7123.75	5387.47	6877.03	5370.04	10574.24	6777.87	8954.95
2-Aminoanthraquinone	14008.84	13523.52	13561.71	16073.78	15045.78	19879.96	10162.79	17228.8	18877.1	13795.2	23235.33	26664.23	25632.7	21833.71	26431.43	23024.44	28342.1	12293.39	27419.32	18524.45	21278.89	24327.21	22850.65	20531.22	26473.91
5-Methylcytidine	1624.22	1229.43	5963.25	1777.7	5884.2	4849.88	8405.33	6792.73	4531.56	9697.24	2909.89	1278.68	866.78	12545.63	2967.1	15879.61	10073.5	6716.79	4455.64	3451.0	6672.22	839.1	901.9	9139.83	1213.92
Canthaxanthin	570661.97	620333.63	550454.72	658722.32	595322.79	709861.32	656863.28	722434.01	724866.6	805410.68	683305.09	605350.12	580556.71	537309.01	561898.22	565866.97	607306.11	582285.99	580237.24	701825.94	531126.15	630828.54	641420.85	632690.92	605798.97
Urocanic acid	147378.68	149009.48	163932.13	143152.96	159037.2	160714.04	62158.26	156675.18	164375.41	160223.04	142367.53	145666.8	174113.28	145152.33	160215.64	150461.08	151074.08	60443.66	153197.51	148647.54	175498.05	164747.25	154727.08	170654.74	192864.04
alpha-Peltatin	20818.62	11320.77	21355.79	12902.48	19006.82	16941.16	11630.83	14849.61	12888.84	18273.6	18597.86	15037.48	15894.27	24631.6	17029.53	13342.23	21351.96	26201.61	17469.54	9941.14	7130.89	7366.11	7093.35	5402.8	19283.88
C-12 NBD-dihydro-Ceramide	12675.79	11400.39	13056.69	12746.77	13082.8	13998.88	20515.42	12607.81	13352.4	15401.37	14351.49	14891.73	18590.34	17652.72	15521.15	15914.61	18648.37	26073.29	16527.74	18915.18	18648.72	16162.42	17214.85	16908.96	17112.7
Peonidin-3-glucoside	2732.69	3039.24	2891.58	2186.12	3458.17	1739.29	2116.34	2782.04	3651.03	3209.58	1049.89	1654.98	751.0	1554.04	1495.04	1633.29	1152.87	1906.08	1825.15	2703.4	2480.08	1913.26	1711.26	1042.72	1521.09
Ecdysone	18088.89	18485.96	21319.23	20805.87	20643.61	22349.73	32894.09	22915.06	24360.41	21973.57	22004.75	21602.83	20429.68	17593.76	21155.84	17514.99	19545.12	28387.12	17467.97	17908.93	18804.9	19481.12	19042.6	18192.25	16855.6
N-octanoylsphingosine 1-phosphate	33937.26	32405.47	33313.66	33982.67	34322.75	36225.26	53497.16	35228.48	33666.54	34741.32	32394.64	36059.9	33874.02	33719.59	33690.15	30772.97	32820.26	53020.45	31767.5	33669.0	32919.03	32559.05	31358.33	33624.75	31434.25
"4(3H)-Pteridinone, 2-amino-7,8-dihydro-6-[(1S,2R)-1,2,3-trihydroxypropyl]-"	4352.89	2919.35	4435.56	5155.13	6337.27	4366.21	3060.46	1972.68	4663.96	4073.44	3374.13	4617.58	3857.85	1260.1	5171.94	4970.35	2685.1	2958.37	948.29	8072.15	5920.08	6890.4	4989.16	3694.09	4791.54
4-Oxatetradecanoic acid	26048.72	26724.33	28576.23	27662.45	27330.68	31822.5	46219.31	28826.95	30984.26	32309.23	32452.25	30849.41	35519.02	32393.52	36639.11	34450.77	32663.49	50599.15	35257.57	35550.37	38217.89	34637.5	36470.78	35631.49	36092.67
"Carbamimidothioic acid, methyl ester"	48754.37	12563.75	27757.09	14158.31	24558.96	49603.49	5089.08	48462.92	27200.28	13422.74	18374.48	48023.96	35615.51	20073.59	18171.9	21755.23	21380.72	6406.85	36452.81	16892.16	53777.25	18633.06	23510.35	50182.23	56800.71
Conessine	19119.2	21182.6	13284.13	19787.43	13225.66	21654.78	21414.8	21031.39	19148.95	18365.09	22340.16	24508.18	26243.81	19514.53	28078.55	16196.88	27420.91	26367.62	26317.7	27849.43	30923.88	26064.12	28799.83	10578.6	29403.39
(E)-beta-Damascone	1105.63	824.26	2047.17	2906.44	2129.51	3581.49	3262.61	4066.51	4560.22	3849.68	2114.92	2946.92	3130.63	2914.77	2639.86	2353.01	3391.95	3175.52	2773.16	3478.27	2251.3	3044.71	3941.71	2669.72	3131.6
Tricosane	67531.99	73462.73	55662.5	68864.04	58864.54	78279.05	67181.33	58436.01	75843.24	93503.05	84333.35	60036.35	61618.22	50975.68	57117.56	54229.3	49764.4	55613.15	59596.98	72429.94	52702.51	53916.76	59554.54	59727.01	57462.93
Vecuronium	16373.62	17953.49	15271.94	18314.9	16918.53	21442.42	18468.36	20631.5	23167.25	25457.25	21630.6	19192.92	15033.44	15250.92	17271.67	15728.59	17751.51	17532.65	21452.04	20426.47	14888.64	16982.36	24671.75	18467.44	16853.76
Dexamethasone acetate	770.72	717.51	1371.35	1488.35	452.2	2472.01	2184.04	2034.91	2210.3	2630.94	2905.16	908.85	570.74	12529.03	1778.81	19114.38	7711.72	3632.96	2102.03	2154.61	3177.9	1113.95	660.85	11701.59	583.69
Astragaloside II	6394.22	7269.76	6681.33	5023.42	6474.98	7455.31	7722.65	8282.68	8867.18	8717.39	9525.8	6595.67	5614.01	5274.15	6518.52	6671.83	7314.03	7279.83	6922.23	9740.5	6019.34	7923.23	8162.26	8222.63	7209.93
"3,5,7,8-Tetrahydro-2-[4-(trifluoromethyl)phenyl]-4H-thiopyrano[4,3-d]pyrimidin-4-one"	6578.91	10596.64	10929.85	12494.03	13521.33	12722.16	16906.9	12581.1	10373.34	11474.98	10123.07	7415.17	3916.47	10666.22	8734.3	12817.38	10518.32	16310.67	6786.17	9281.04	13121.93	12945.34	14652.51	8315.49	6384.81
Ganoderic acid A	11247.45	8642.31	7627.21	10593.68	9034.52	13497.46	10736.33	12430.01	10275.56	14363.63	12565.78	9660.97	9595.25	7681.61	9486.3	8354.41	9565.89	11194.77	6039.04	9887.25	6379.58	9447.66	8926.08	14064.54	6385.26
Malathion	7747.34	6387.54	6176.64	7271.25	6819.68	6036.93	6512.38	6037.27	5731.39	3997.36	6687.37	6268.43	5880.45	6472.33	5883.2	6389.72	6728.31	6301.76	6104.02	6040.64	7048.81	6813.43	5415.03	6749.09	4043.49
DL-Homocystine	2679.24	2822.35	2636.2	2250.99	2824.67	2290.63	2202.5	2569.06	2654.07	2655.49	2255.73	2513.29	2139.81	2226.22	2421.48	1658.79	2388.91	2314.23	2459.26	2504.76	2557.45	2730.67	2223.28	2469.72	3553.99
Timosaponin A-III	8995.77	11601.55	9144.99	11305.44	10621.41	16914.92	11169.34	14653.55	15811.49	17348.96	17372.55	11693.31	9697.18	8192.83	10751.65	9775.34	12583.93	10854.02	12320.96	15335.75	7030.62	12390.15	13882.87	12695.45	9820.78
KOdiA-PC	5497.67	2554.26	4159.91	3619.31	9473.07	5880.92	2326.01	16959.19	3025.36	2641.95	8608.49	8596.53	10414.31	8909.9	19469.35	10358.18	21910.12	11723.06	14105.99	9058.62	16507.31	13242.63	16102.89	14492.59	18911.2
3-(Methylthio)propionaldehyde	6937.07	4175.89	4442.91	5385.51	3991.64	7517.31	6429.88	6983.51	9071.41	7020.39	5931.62	6912.54	6113.46	5024.85	3083.43	4722.19	9048.8	5290.05	5645.65	5753.52	4480.84	5498.89	8557.82	6397.23	7958.14
Avenanthramide-C methyl ester	17203.82	14290.7	14549.92	14796.17	13708.39	10974.27	9618.21	12312.04	12791.58	14655.66	18721.36	16873.8	14581.09	18497.6	15016.9	16949.28	17616.45	15877.08	16019.77	19494.59	20168.51	18943.65	16958.61	16921.87	18848.69
4'-Methoxyflavone	3963.33	5200.36	6573.23	6671.76	5633.38	6010.74	1158.37	3307.57	7065.99	6523.8	5150.23	6670.14	5067.97	7847.66	4380.29	1645.03	5516.19	2775.29	7866.21	4072.82	6204.86	7024.54	4268.0	10160.27	3488.91
Adenosine-3'-5'-diphosphate	10895.28	9478.43	12882.63	9811.59	10036.61	9302.57	8881.61	10001.18	7617.57	11750.56	9858.63	11878.17	11738.2	9781.16	12033.9	10225.11	11384.77	10274.79	11061.78	19274.67	10746.34	12473.37	11073.73	9538.1	2799.98
Trihexyphenidyl	35985.22	36549.66	37014.46	35905.72	37949.83	37692.56	53441.09	39092.92	35879.35	38090.14	38696.95	35576.87	38874.65	37678.42	37324.51	36141.44	34409.33	48027.55	34664.29	31674.14	32895.78	29644.69	32844.39	34971.77	31686.74
2-Hexadecanoylthio-1-ethylphosphorylcholine	19378.88	17036.29	15677.91	16480.55	3794.75	10333.33	13555.58	9696.38	14406.47	14145.95	12226.89	13139.05	12353.15	12899.27	6011.29	10715.34	4373.59	839.25	9625.94	9033.82	9940.55	13095.06	7966.22	10513.31	11964.63
beta-Acetyldigoxin	7539.62	7750.06	5847.67	8247.3	6546.49	9840.04	9328.16	8895.95	9639.74	10984.84	9525.68	7310.33	5934.8	6258.81	7000.03	7614.75	8394.65	8573.96	6892.45	8523.12	6164.28	7867.57	8483.42	7594.73	7726.13
Inosine diphosphate	1253.27	1572.39	3528.04	2664.24	1917.57	1345.84	1736.09	1374.25	3575.26	3147.86	3295.46	4079.77	3046.53	2341.58	1645.52	2596.25	1126.58	2769.65	1969.5	2103.91	4552.99	3643.85	2209.85	1083.58	4406.61
Methyl tetradecanoate	2660.98	2763.25	2163.62	2209.2	2302.49	1738.82	2382.62	1877.82	2311.88	2193.9	1823.65	1355.74	967.79	1048.74	1344.16	1702.01	1583.76	1859.38	1231.8	2639.65	2146.19	2120.53	1513.05	1690.53	971.4
"PC(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	12855.77	1308.81	27169.88	58842.72	42141.64	16950.77	28454.82	40443.61	35989.97	22225.7	51487.27	31691.12	24802.37	36217.0	23018.37	36820.92	61811.88	29472.76	50537.98	19736.05	26967.35	22688.6	24535.31	24078.67	23910.58
Leukotriene B4 dimethylamide	16823.06	16342.42	17678.55	16626.9	16115.89	16405.07	24280.62	15792.86	15068.52	15814.33	11754.67	12663.9	12279.83	12587.76	12631.91	11395.38	12237.61	18756.53	12077.98	11789.27	12436.17	13938.0	12077.11	12373.27	12143.37
Asp-Asp	22236.28	20470.19	15809.82	18959.08	16165.99	27370.24	28864.04	21039.11	20492.99	28729.79	37251.4	23871.55	16697.11	26010.0	20655.17	28775.51	33115.24	51572.52	22402.67	28239.44	30998.08	23448.9	39815.66	21835.05	25367.25
N-Acetyl-S-geranylgeranyl-L-cysteine	385047.6	421078.34	402269.11	399727.73	387977.05	459166.23	588135.85	463895.37	458593.05	452832.29	420398.82	411651.84	450418.72	470743.0	438856.01	445674.96	451728.56	592374.12	462901.09	436757.15	477424.53	398016.05	466126.43	463565.42	476431.29
Homoveratric acid	1018.28	792.99	1293.09	838.5	1201.84	1239.63	1666.34	1297.55	1209.11	1887.9	1141.03	1012.12	439.48	1952.62	827.28	1606.16	1809.74	1299.46	727.41	1335.03	946.96	1254.87	1893.54	502.17	764.66
Threitol	5005.37	3924.7	2760.0	3736.59	2655.52	3071.86	2198.99	4399.26	3542.95	3793.91	3649.69	2806.73	2502.52	2127.66	2051.52	1653.03	1453.31	2416.41	2883.64	3406.54	4153.79	3332.52	2934.05	2654.42	3783.63
"2,3-Dihydroxy-3-methylbutanoic acid"	6859.36	6013.36	6357.27	5955.61	6378.29	4278.7	4940.12	4839.71	3606.93	3602.4	4343.53	4430.21	2762.54	5598.69	4005.44	6531.99	4483.2	6340.82	3668.02	2977.89	4038.44	4969.5	4039.89	4380.42	14494.6
"1,8-Diazacyclotetradecane-2,9-dione"	737583.61	696778.88	727762.64	733027.04	719939.67	725548.62	437216.52	731965.16	760264.03	742549.54	737654.3	745544.71	730430.49	739476.61	739615.88	754097.55	715417.72	429299.28	729289.36	690211.13	702444.77	699045.88	702928.84	702915.83	722319.71
L-3-Hydroxykynurenine	13678.42	4151.19	42235.99	8448.04	5946.64	3996.07	31588.84	3025.07	8528.65	5699.11	36132.87	34139.82	26101.45	37084.8	6290.79	64330.75	35184.09	35728.23	918.7	37919.92	9666.22	33113.72	31903.43	2390.12	37539.91
3-Aminopropionaldehyde	16974.47	11211.22	10400.29	10626.0	10081.99	15185.5	24421.89	12843.28	14458.05	11068.73	12814.39	11781.26	12677.78	16032.42	29781.44	11994.53	12254.06	7137.29	30484.35	14769.95	11089.21	10608.26	10220.52	9956.34	11146.59
beta-Ionone	1706.61	2702.18	1848.25	3376.04	2639.29	2121.46	3540.2	3964.8	3796.44	7002.53	4244.42	4548.02	4533.7	4526.62	3364.52	6513.7	5402.35	4030.45	3827.19	2180.71	4044.35	5126.43	6825.79	4755.52	4402.37
"2,3,6-Trihydroxypyridine"	10471.47	6394.2	7874.32	9437.13	4482.22	9970.49	11533.2	9619.71	7777.61	7192.06	12038.26	10138.74	14344.43	5595.81	15664.82	18922.4	5957.73	14141.09	16316.66	16000.07	12248.96	11326.9	14059.14	3382.67	11084.56
Ethylbenzene	7924.3	7086.43	7226.26	8199.21	6363.91	11400.14	7556.36	8595.88	9277.33	10474.78	10258.95	7104.56	7033.07	6473.24	5965.2	7801.11	7214.89	7751.07	7136.88	9669.45	6155.25	6725.67	17066.15	7954.85	6484.75
Benzoylecgonine	44939.21	59557.39	39526.41	37459.41	66481.3	230804.35	48418.23	54446.94	52655.08	49657.7	55208.28	108297.08	60513.6	57025.08	51816.1	52716.26	55552.06	35746.64	41445.34	41323.74	38730.98	40165.28	33197.53	38773.66	18414.25
Enniatin B4	9140.43	9737.98	11000.58	8850.85	9564.71	12677.87	9340.37	10003.41	12889.73	15215.12	16986.55	7165.79	7444.29	6934.27	6351.91	7348.41	8922.48	7934.47	7385.31	12441.24	5549.09	7492.97	9942.47	12193.57	10900.43
5'-Chloro-5'-deoxyadenosine	9554.17	9091.51	9925.69	9000.41	10156.93	6700.94	7442.06	6564.27	6140.91	6034.31	5920.15	7866.17	4045.6	7730.46	5224.49	6380.31	5158.48	7449.64	6085.42	5117.77	6535.96	7261.11	7903.08	4751.78	5823.98
"17alpha,21-Dihydroxypregnenolone"	2625.01	2343.85	2298.53	2540.67	2415.46	3409.57	3059.53	3584.68	3192.87	3459.71	3129.09	2657.8	2717.04	2899.67	3902.64	2709.8	3192.63	3254.37	3516.23	3569.93	3051.75	3076.97	4924.78	4462.06	2575.3
3-Hydroxypropanal	33806.62	35410.21	29287.94	34720.35	33873.51	33331.03	21599.77	30660.11	37406.08	38085.78	31013.9	31373.22	29811.14	29672.84	23351.65	27299.75	30234.05	29026.74	30661.62	33860.37	31882.08	22984.42	30558.71	22485.15	20862.07
(S)-Styrene oxide	11829.22	7783.34	5469.45	6275.82	7812.54	10774.05	10455.19	11678.48	17324.0	12665.84	9714.16	9145.59	5091.65	8807.45	8953.13	6780.43	9031.0	12655.83	9117.07	7980.4	5749.88	8064.44	8442.44	7205.07	6809.3
6-deoxyerythronolide B	2538.91	1444.75	3869.6	3730.96	2726.89	4175.86	3495.71	6462.27	3957.96	4300.7	7955.17	6854.38	6583.09	6098.6	8413.74	6596.86	6974.51	8513.01	6535.28	6840.27	7377.24	7898.8	7787.62	7449.23	6912.48
Geranylgeraniol	2816.23	4307.76	3935.96	4140.66	3327.88	4287.78	3006.57	2248.75	1206.32	3360.56	1651.03	2368.95	3621.25	3353.17	2231.24	2903.81	1693.55	1022.38	1814.7	996.14	2585.02	879.66	3218.83	1163.34	1250.08
(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid	3302.41	2621.68	2297.48	1498.66	3135.63	3343.63	4444.83	5433.92	3409.21	4484.68	5079.81	3986.92	3618.72	2550.19	3749.72	4033.8	3810.11	3542.32	3365.81	1359.61	1869.38	4403.09	3764.52	4185.72	4311.03
N-Acetyl-L-glutamate 5-semialdehyde	39372.3	39287.09	36337.74	39857.89	37795.45	35823.52	8016.99	38514.25	38659.18	39498.16	39611.08	41051.24	40602.06	43467.43	41080.59	42422.36	42844.78	10442.21	42446.6	39423.51	41821.65	41772.92	41208.06	41197.91	55786.31
"4,5alpha-Dihydrocortisone"	8723.72	8970.26	8556.41	7393.28	6929.2	8271.08	15254.47	7908.27	5440.16	7626.28	6657.99	5198.29	5358.43	6712.21	3723.48	5986.69	7843.68	8470.53	6743.22	5163.62	6448.63	5330.48	6389.71	5978.51	5778.78
Thymidine-methyl-T	2492.72	2881.19	387.1	1380.53	3603.5	8858.84	5450.24	1146.2	8702.34	11114.83	5301.89	2042.25	8073.28	2609.29	3272.28	4175.52	7115.99	12385.26	1686.24	15222.89	2840.8	1990.64	1929.2	10708.78	11489.32
"PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	4803.51	4002.79	9106.99	1039.14	2543.62	2569.25	5890.23	3005.49	17641.86	31045.77	24755.39	18528.76	20179.47	19226.46	18012.66	22296.21	9464.5	29346.43	21831.99	18539.38	26848.05	22676.85	38738.44	31832.2	14292.37
Allopurinol riboside	559776.72	411197.53	431104.77	410505.18	402834.55	261393.22	195031.79	330228.49	363216.95	551360.41	676768.38	598336.06	629201.96	617468.32	557394.12	624025.25	777238.98	588687.73	521575.37	732175.52	682700.04	722558.98	556645.45	828217.64	650396.8
"3,7-Dimethyluric acid"	7744.52	8031.1	6818.67	6691.24	6704.03	6195.22	4548.26	6884.27	7546.02	7367.55	6362.64	5018.28	5706.42	5590.11	6630.81	2497.44	6331.75	6680.84	8089.23	6685.32	6358.14	7329.43	5185.12	6009.31	9030.37
Estrone	7949.06	7906.57	7707.15	7319.85	7563.8	8510.61	8532.06	12906.65	7434.94	10926.31	9475.01	7622.36	7387.97	7408.7	8874.92	8956.79	10355.1	9577.92	8373.34	10711.21	5803.28	8832.09	14522.6	7595.83	11535.09
Pentamycin	6019.94	5310.48	4284.22	4911.32	5131.84	8218.26	7319.87	7241.97	8208.01	8578.89	8594.05	5629.09	5169.71	4599.71	4432.73	3030.58	5657.88	6069.82	3409.25	10054.62	4988.06	5365.21	8604.55	5880.22	5270.3
Glycitein	4059.72	4315.66	4386.1	4314.89	4175.84	4067.17	4740.05	3722.81	4411.03	4747.8	4751.36	5156.05	4506.61	4345.09	5043.71	4420.06	4964.91	4496.22	5143.2	4778.88	5291.74	5619.76	5632.98	5342.46	4600.52
Coenzyme Q6	695967.15	779176.9	688352.98	821828.7	742293.59	897752.93	809595.8	881289.79	930399.89	1024914.65	858252.61	734402.56	727702.84	647837.76	700712.41	683580.23	731215.76	719216.93	708361.13	858658.28	643124.71	775130.07	773878.72	777157.8	741188.2
L-3-Phenyllactic acid	2065.95	3740.13	2467.25	3991.72	1964.53	4001.85	4951.57	3672.97	4040.25	3226.46	3808.13	5052.29	4919.74	4385.67	4301.52	4926.41	4983.84	6974.68	4029.78	5215.39	5008.35	5297.29	4805.32	5358.86	4613.49
Erythrulose	554437.07	541275.42	567430.62	530739.74	517765.6	547595.71	500753.77	568836.01	544330.08	542981.25	602052.36	595258.35	307085.61	636816.45	471432.13	525018.12	583446.58	534827.84	279067.96	542348.9	633074.19	538886.04	581621.81	564609.07	522541.86
"6-(alpha-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate"	19118.7	25342.28	16612.78	16497.7	17750.98	20193.48	19585.99	21027.86	21650.04	25474.1	23593.92	22431.58	31621.52	27403.34	36106.3	35845.56	28526.5	42643.05	30368.58	38711.01	18217.93	13606.49	36179.22	27236.95	59659.38
"cis-5,6-Dihydro-5,6-dihydroxy-carotene"	16193.74	14588.27	13765.0	11474.41	8217.74	20304.65	14239.68	10209.18	17515.72	18669.48	7419.4	18489.08	7598.86	10849.69	19392.36	12651.93	15776.37	13255.28	7647.22	8206.33	13832.68	7661.21	6377.84	8074.09	8976.03
26-Hydroxyecdysone	129622.32	126505.7	111074.6	122767.5	129446.9	123472.61	113870.89	127628.38	134108.1	132141.32	125733.38	103615.49	92682.53	106989.36	108435.54	99637.31	96627.83	102277.67	109804.04	126902.42	85837.76	114127.53	113928.49	104963.88	112981.27
7-chloro-L-tryptophan	6520.84	5709.35	5263.66	6529.43	4761.04	6632.17	6341.07	6318.65	7393.15	7857.42	7152.88	5235.58	5213.42	4860.66	5545.07	4698.28	5619.11	4787.83	5170.11	6179.34	4797.68	5904.27	6105.77	5625.7	4788.69
(2S)-2-Amino-4-selanylbutanoic acid	8716.25	9970.61	9438.63	9093.51	9218.59	8383.56	7384.57	8417.99	9601.72	11094.47	7684.77	8512.0	7760.67	9020.36	6037.4	6576.29	7999.11	7664.7	7256.26	7782.27	6737.44	4912.28	6360.26	5709.2	3849.99
Taurochenodeoxycholic acid	6493.96	5096.36	5538.13	7515.82	5430.53	3798.47	4329.63	3158.58	4023.72	4077.78	3128.28	4066.78	3367.41	4862.38	2712.5	3867.34	4301.39	1117.72	2527.91	3283.78	1963.46	3112.29	2581.43	2848.36	1920.32
Methyl 2-(10-heptadecenyl)-6-hydroxybenzoate	38498.5	37857.8	38912.54	37727.1	36620.09	35253.56	50885.11	36406.8	30983.65	31917.84	32612.04	33104.02	34466.75	34472.51	21757.86	33374.65	34464.77	49201.09	35051.81	36311.22	34782.57	35630.98	34747.64	34088.2	32113.81
1-Hydroxy-2-naphthaldehyde	2770.84	1775.4	1117.99	1548.4	2266.16	1651.03	2773.87	2001.57	758.44	2199.27	2139.04	2070.61	2337.23	2473.52	1998.85	2127.9	2103.83	2796.1	1519.44	2130.42	2061.14	2764.56	3153.24	2833.56	2609.74
Westiellamide	40191.7	39327.56	36462.38	44556.61	39301.48	54478.4	44843.93	50253.91	53369.98	62157.44	55735.46	39204.45	33804.72	32443.86	34407.36	35708.06	39122.18	41426.75	35392.8	46589.65	31120.2	36908.49	47434.85	39068.02	31605.0
1-Methylguanosine	2454.89	2472.06	2077.21	1585.7	2421.34	2100.93	944.42	1744.85	1855.47	1648.91	1237.32	1223.48	1120.45	1289.04	1648.9	1249.81	1767.84	819.98	1343.84	659.16	1158.44	1612.25	1289.32	1508.96	1428.57
Atrazine	3127.3	3071.51	2787.01	2776.11	3382.01	3166.54	5076.97	3566.61	3016.93	3570.65	2823.74	3224.88	2519.62	4376.51	3743.41	2600.4	3893.6	6378.28	4316.18	3779.62	4631.09	3223.79	1895.79	3125.97	3007.16
Glycerol	821243.76	873161.18	628854.8	968463.54	2614536.29	2169359.35	1811017.87	532247.49	2095081.72	1846104.99	150416.74	836431.8	951073.72	877557.0	2186412.27	288566.55	1937787.06	2329463.43	215662.94	1000302.85	2171993.52	1354858.74	926261.6	2146757.68	1813132.93
Thalicarpine	6308.05	8980.5	6460.67	8527.89	7300.34	10563.79	8674.11	9240.64	9992.72	12469.9	11150.3	8003.93	6984.9	6038.12	6774.71	7737.93	9802.04	8675.83	8695.59	11026.61	6576.07	8911.43	10746.7	9103.28	9002.07
Adenosine 5'-phosphoramidate	1809.18	1996.87	3052.16	1993.62	6066.83	10742.11	3445.47	12167.56	6741.12	6056.47	12004.17	3071.51	716.12	43173.0	8496.1	21867.02	44511.21	9781.7	6373.45	7923.18	8490.94	1720.03	4582.8	53387.51	622.33
Plakortic acid	11122.86	16728.86	12498.68	14051.25	14962.58	33294.54	33922.91	37910.55	22258.55	44539.08	39142.47	27544.75	26227.67	25409.05	30890.75	30430.05	35366.63	33454.17	32792.45	41503.35	25938.77	35591.48	39631.37	38149.78	29424.13
5-Hydroxykynurenine	34843.68	27370.67	27271.27	23970.38	27170.73	35950.44	19635.51	32915.99	18149.96	25337.41	19947.0	21037.11	13667.96	25084.48	22983.85	19326.63	23405.29	7956.61	19076.27	15377.54	23598.1	18399.85	19718.28	20207.16	37749.63
N6-Methyladenosine-5'-monophosphate	20020.35	17908.13	16504.54	18867.91	7820.69	44323.15	41501.47	28327.86	24372.54	27677.88	26456.55	30142.36	48376.96	23595.01	43011.51	33885.22	31314.14	31652.21	26065.08	25810.43	21059.03	29191.91	22715.63	29871.52	46822.56
Bolegrevilol	20053.63	14632.54	15223.78	17391.85	28223.09	15718.77	18876.14	8951.74	12407.85	9993.38	7023.27	5685.84	5328.17	4152.78	5579.76	6387.95	6821.94	2366.68	1927.97	942.86	573.06	2855.44	466.59	1722.69	1434.53
Guanosine-5'-diphosphate	1174.44	8207.7	1099.41	4276.94	1037.41	1669.1	2647.95	567.87	3065.41	2351.96	2134.13	2046.36	657.35	2258.4	3621.6	1073.48	984.84	359.21	3186.0	3226.01	7265.06	729.37	6886.05	1048.17	3042.59
Blighinone	70700.0	72104.02	114853.43	496017.29	86423.41	79963.24	205387.07	176748.78	59575.24	87307.55	135403.81	75481.61	193280.22	89532.58	97004.0	90214.22	71294.76	119299.07	153017.15	98557.09	49364.63	38181.65	50659.46	37600.28	58473.17
"(13R,17R)-17-[(1R,2S)-1,2-dihydroxyheptyl]-1,5,10-triazabicyclo[11.4.0]heptadec-15-en-11-one"	13417.83	12114.51	12530.33	9895.11	10142.66	9623.56	9012.37	9304.53	10016.26	10196.08	8374.25	8976.01	8970.76	9648.77	9831.66	6907.48	9431.36	8001.38	9055.32	8141.98	6467.24	5716.25	8970.45	8050.87	8971.41
1-((2-chlorophenyl)diphenylmethyl)-1H-pyrazole	131515.24	135414.14	136387.06	132539.32	134316.86	131322.57	126801.23	142772.63	130889.4	135948.64	139148.84	134245.82	140126.74	138184.7	138975.41	140990.78	135937.19	139477.64	141491.12	131017.02	140302.78	135957.0	138424.9	135655.55	138483.34
Tetrahydroharman	654820.46	623358.23	650987.58	645188.19	647415.52	640151.03	1016317.24	620551.95	645720.28	635016.8	610544.2	597127.09	634723.83	631732.81	642168.01	614425.75	622279.93	985407.36	611916.47	595915.86	605788.76	594654.78	605747.31	610741.81	577399.99
Pyridoxamine	4597.15	2960.4	3382.93	4527.96	5176.79	2600.53	3136.74	3750.87	2946.97	1897.6	2920.82	3622.3	558.8	1037.66	1542.01	853.54	2000.68	1728.59	1063.78	3660.58	1985.83	2866.66	2383.04	2119.43	1130.24
Fasciculic acid B	3258.45	6921.05	5173.33	13544.61	14633.16	15040.51	19657.04	15661.06	7979.99	16704.13	16237.42	14929.9	17903.01	14454.76	16047.79	16603.28	16669.32	21487.01	17294.0	19120.97	18581.8	16983.47	19446.81	18837.6	17575.24
"5,6-Epoxy-5,6-dihydro-10'-apo-b,y-carotene-3,10'-diol"	6170.05	5227.68	5500.55	4862.77	5827.93	10512.87	4992.55	4057.05	4651.53	8958.53	7492.34	3319.11	4446.23	3297.12	4389.91	5601.02	4672.82	4621.55	4905.19	6097.1	5510.03	3997.33	5826.25	5614.12	5460.67
Alangicine	19382.7	17828.09	17917.62	22338.38	19663.42	24298.76	23301.22	21623.4	23245.45	25145.3	25733.56	20980.76	18960.49	16452.32	18820.98	18851.87	20209.88	26202.03	19503.92	25416.33	18399.96	23604.45	26787.65	24042.11	20843.42
Homidium bromide	8161.46	7079.53	5644.41	7269.54	6189.59	5164.25	9239.19	3998.07	4518.96	8135.16	4122.64	6143.93	4184.44	3759.62	7200.14	8822.24	6538.92	7630.33	7239.94	5708.29	9388.09	5272.97	10829.05	6671.96	9398.4
Polypodine b	1324.51	1651.24	2179.57	1830.97	2741.05	2840.43	3820.36	1578.44	2910.19	1937.66	693.32	4228.59	3471.04	4312.6	4320.5	5720.63	4823.93	8884.67	4877.85	6240.33	5241.62	6091.75	5987.8	4941.02	5152.25
1-{4-[(3-Aminopropyl)amino]butyl}guanidine	55438.84	53591.95	54427.49	53457.42	53637.6	54785.43	54046.09	57903.4	53445.6	52856.78	52333.6	57596.8	54593.48	48508.82	54250.14	51146.92	57813.19	53662.52	51854.15	51366.28	55703.88	56244.74	57106.42	54170.62	50067.6
Concanamycin a	9207.47	9224.57	7800.72	12937.87	8306.67	14134.53	11852.83	13117.67	13347.96	15831.75	14419.82	9052.92	3404.07	7828.66	8363.41	9338.49	9516.74	8780.56	7161.09	11558.29	6448.86	9565.04	12478.27	9503.92	8410.42
Nonoxynol-9	16562.33	16174.95	15691.1	17716.95	15611.84	23547.74	22167.42	22892.63	21311.19	22919.66	19486.65	16199.82	16829.06	14183.46	15865.22	16317.33	19242.01	20182.39	15071.39	25473.63	14137.94	19159.55	19962.98	18558.27	14907.77
All-trans-heptaprenyl diphosphate	22008.2	23794.33	20091.37	24349.99	23114.41	26509.74	27776.26	26219.42	24871.62	30268.93	28154.85	24527.11	22944.65	22144.48	23999.99	24374.82	24479.47	27730.68	24853.64	31555.49	20179.15	24799.15	28487.69	25084.63	25834.69
Spheroidenone	31499.59	36192.48	31375.75	35622.93	35628.47	43881.15	38944.62	42134.66	54413.88	52529.64	43157.69	48915.01	32738.95	32292.08	33665.58	32429.65	34248.04	32747.5	33469.59	45037.71	30029.93	45680.27	52500.68	38054.2	34565.32
Benzoic acid	16670.12	17174.42	18974.69	14851.67	16709.84	16581.36	16655.6	13520.37	16775.75	16581.36	15666.91	17165.33	16631.49	17204.16	16914.01	16483.54	17961.29	14912.52	10564.16	16745.04	20586.98	18271.04	19656.36	16845.19	17972.63
11-Oxo-beta-amyrin	12207.22	10693.87	11714.27	11641.0	11348.59	12547.56	16152.54	14909.77	12299.96	11814.32	11426.66	11912.73	11884.67	10182.18	11057.71	10986.05	10794.15	15024.29	11028.92	11194.41	11187.82	11677.03	13152.0	11582.76	12205.56
Lucyobroside	1219.18	1135.48	1671.78	1278.56	441.68	986.94	1248.88	2024.75	1894.7	2822.01	1880.28	1110.02	1483.52	2063.68	679.68	917.93	994.92	1424.53	3236.09	4117.61	1763.39	2268.84	4436.54	3046.99	2631.52
6-Acetoxydihydrotheaspirane	6694.5	6258.14	3813.46	7860.08	6809.23	9828.63	7377.16	7470.33	9188.7	10894.75	10250.62	6712.89	6761.14	4851.82	6308.47	6796.76	6091.93	6467.9	5509.43	8175.68	5452.33	6115.58	12512.25	7682.57	6418.78
Gallic acid	12070.52	12437.88	14438.17	11561.5	12827.05	10277.31	18113.21	12759.77	11112.25	11089.37	9507.91	16134.39	17694.52	19004.6	16971.26	15326.59	13701.55	20243.41	15958.97	12729.93	19015.62	16095.59	13324.4	15144.74	17900.6
Squamosinin A	45718.65	66190.53	42622.46	55204.21	51569.97	72502.47	57391.69	68295.41	73841.36	77120.19	74902.83	57975.98	47903.15	39932.9	41470.6	47935.67	49078.17	46448.0	44651.91	65364.92	34900.1	55535.89	53270.6	50821.33	43116.73
Allyl propyl disulfide	4164.61	4334.01	4068.29	3994.43	4058.94	4042.78	6865.59	4279.73	4043.15	4170.32	4241.52	4543.97	4685.9	4730.25	4627.38	4563.78	4116.08	7091.22	4488.38	4534.53	4470.61	4215.89	4495.98	4403.62	4309.77
Pedilstatin	11043.17	11347.58	10435.8	11049.26	11254.59	11499.41	20771.36	11703.35	11139.76	11456.64	12070.92	11707.6	11823.93	13442.94	12141.93	12730.26	12815.3	22058.38	14335.5	13383.92	14088.87	13265.3	12723.57	13160.65	13705.6
"2,3',5-Trichlorobiphenyl"	8254.35	9875.17	10442.45	8172.24	8232.64	6067.1	4615.87	7936.08	6956.6	8625.91	4443.64	7174.0	6220.72	8986.22	8387.92	9392.55	8731.94	5365.43	7803.42	6960.8	10620.24	4082.84	9986.23	9234.57	9488.05
"5-{9,32-Dihydroxy-6,10,13,19,20,32-hexamethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.1^{1,4}.1^{4,7}.0^{12,17}.0^{17,23}]pentatriaconta-10,13,22-trien-14-yl}-3-methyloxolan-2-one"	16926.58	19897.54	15256.82	18784.71	15346.68	23344.53	17682.97	21716.8	23508.85	26347.09	20897.64	14680.6	14798.81	12602.25	14272.7	13964.21	16690.95	14859.16	15143.22	21083.97	12422.75	16138.5	19715.15	18285.8	15733.9
Gluten Exorphin C	10300.39	12598.46	10868.13	14209.84	11248.58	15632.74	13417.65	16110.7	17112.19	19902.54	16788.37	11476.31	10474.27	9074.62	10299.8	10772.32	10876.14	10694.25	10703.66	12986.62	8299.33	10391.23	12842.56	12397.07	8980.78
"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione"	18368.0	17964.46	14230.45	17850.51	15634.96	19932.03	16730.09	17062.9	22559.38	20263.06	18905.92	13221.31	12895.01	13075.61	12370.49	14148.46	11861.94	14575.15	15472.37	16614.14	12275.0	13786.37	16830.59	13921.07	14146.27
Acetyl tributyl citrate	479590.64	519900.62	633460.15	520184.78	595287.71	427828.93	696609.77	504575.18	518911.64	478310.51	463055.08	659496.74	730900.42	791998.0	757308.12	616054.43	612829.55	844866.85	727264.62	527235.62	859495.1	705644.18	636639.23	720158.12	836068.8
2-O-(3-Hydroxy-3-methylglutaryl)fasciculol A	24637.64	28064.74	22661.01	29743.62	24653.46	37933.48	28453.01	32744.21	35565.63	39677.13	34370.24	23477.36	23285.47	19168.54	22714.13	22571.25	26767.37	24328.73	25375.15	33874.38	20827.87	26235.76	32503.96	26831.57	24219.92
Milbemycin A3	73330.83	79491.21	87787.88	70173.99	71097.92	46395.12	59825.84	54406.24	54948.36	49632.11	38407.45	51240.14	36183.32	38740.04	40624.91	47032.79	38651.53	39279.62	11291.11	37539.16	32484.65	50247.71	33241.43	45403.25	42876.09
"2-Acetoxy-3-geranylgeranyl-1,4-dihydroxybenzene"	71887.68	77171.61	61413.49	87921.17	77806.55	100930.84	82944.82	92539.46	101739.55	100102.3	93488.97	73878.53	71315.6	71212.96	70692.68	69290.95	78621.26	76074.8	77468.09	90715.59	59211.04	81187.52	86653.74	80586.91	75554.88
"Aflatoxin-M1-8,9-epoxide"	8477.02	10706.38	11523.48	5860.01	11359.27	7353.42	14626.91	11076.17	8902.83	10405.48	15262.25	5852.98	9202.26	11056.47	11224.55	8910.15	14115.86	13329.36	9505.12	5498.02	5842.0	8727.61	3233.06	4786.29	6137.58
Indole-3-acetamide	8383.96	7001.82	6731.29	6226.4	5348.01	6629.68	891.42	4584.23	5893.34	10115.8	5421.13	7408.48	6656.58	7554.78	8744.48	2732.43	21999.89	7432.74	7852.89	9621.44	14264.2	10336.32	8142.19	8142.44	6401.32
Tubulosine	10004.62	2438.18	8062.8	10214.93	9663.81	11178.25	18068.39	13843.47	13970.19	15488.24	17004.38	16008.81	17991.28	18410.89	16752.78	17984.07	17556.85	26257.4	17847.27	20130.06	18585.53	19193.24	20396.67	20194.88	19031.63
3-Isopropylmalic acid	3877.21	4179.58	4087.62	3889.66	4122.23	3358.19	2754.02	4841.76	4955.09	4552.77	3829.32	2651.97	2664.63	3292.41	4099.6	3426.56	3998.16	4426.6	4310.93	4371.79	3728.0	4701.27	2925.6	3855.12	6238.72
3alpha-O-trans-Feruloyl-2alpha-hydroxy-12-ursen-28-oic acid	883.02	1004.4	1793.66	1683.53	1245.95	2313.33	1439.54	2618.14	1277.03	1145.12	1837.09	1937.4	969.24	1883.13	4003.97	2165.71	3089.49	4348.06	3309.18	1500.52	2816.49	1789.51	2670.08	2634.46	3217.4
Spirilloxanthin	22521.22	27690.66	24170.54	14883.82	21993.23	23716.27	24866.57	13229.86	24155.62	24676.39	22528.34	22094.88	13968.52	20872.82	21238.53	29390.28	14142.23	23916.95	35952.64	22846.71	22638.15	22225.37	26732.38	15653.08	23367.49
Phenbenzamine	11496.33	8807.91	14531.59	21768.35	14294.26	13170.39	18888.81	15288.02	14093.81	27399.77	17720.24	9328.33	13422.81	15165.26	11592.62	20417.76	12349.54	13108.36	11408.71	9578.56	10022.7	10787.48	8794.32	14803.31	8003.41
Hawkinsin	1041.22	580.93	789.29	1055.22	760.83	1135.13	1833.79	2359.23	1546.5	2813.55	1106.01	973.14	1172.46	3998.05	2036.89	5482.5	2316.2	1093.93	2113.68	525.93	855.89	2310.33	1171.03	2690.59	7437.72
Pilocereine	4687.06	4953.96	1612.64	5823.42	3442.59	5794.57	4227.6	7436.89	7463.96	8544.62	7397.57	3510.75	4568.35	2809.38	4435.0	2781.6	6285.99	6790.76	6304.66	7701.83	5102.93	6786.23	6844.87	6120.44	5358.73
Tetrahydroxypteridine	20518.7	26627.81	27108.64	23054.94	23548.21	23662.87	29792.85	23040.54	24222.09	20310.65	25431.44	23889.78	23579.79	22767.0	22918.04	25492.79	23435.34	34131.26	23505.18	23334.94	23873.16	21388.07	23946.83	24427.12	20971.92
3-Dehydroquinic acid	4250.66	15100.24	15413.86	17498.31	14901.48	10868.01	698.46	14447.12	15961.34	16175.54	16684.47	16591.04	11708.65	19051.0	18564.37	12038.81	14837.83	28682.87	15516.94	12681.49	15666.69	18127.72	15555.67	9634.88	10379.8
25-Azacholesterol	1769.11	2085.33	1670.43	425.58	1006.71	2501.2	1036.92	404.7	466.46	1227.51	2863.47	1934.09	2394.53	1699.8	2846.13	2764.96	3437.26	4469.28	2122.17	6389.22	2389.39	7237.18	23443.18	8566.89	9316.16
Phytolaccoside E	7748.35	7171.11	7457.98	9475.67	9964.95	11428.01	10334.26	11266.81	12534.17	9632.34	13016.74	8188.2	8358.64	7440.53	9069.64	9793.55	10624.85	9687.03	9791.61	13309.24	7749.79	10875.29	10731.78	12473.61	9256.79
Hexahydro-1-[4-(9-benzyl-9H-fluorene-9-yl)-2-butynyl]-1H-azepine	6611.56	6379.59	5253.67	7263.64	6038.88	7928.19	9249.82	7831.63	7533.77	12147.99	10036.55	6984.88	5939.89	5846.24	5704.3	4119.1	5550.07	7239.39	4444.86	3862.57	5329.02	6059.26	4854.29	2372.2	3562.85
"MG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0/0:0)"	198078.33	204511.9	193927.65	209190.28	201282.22	146760.46	153580.17	150409.83	148692.98	189509.66	130201.8	131218.38	111565.59	141264.59	109165.41	121562.99	119075.79	154793.17	100793.32	93465.23	102558.21	135077.68	141597.47	114877.88	99459.28
(Sulfooxy)acetic acid	273627.22	120459.64	206567.04	231899.04	228330.22	88310.02	60658.15	81816.86	96917.81	85178.73	122802.69	215208.91	91279.04	84610.24	156981.45	201417.86	118720.26	52908.56	184826.02	40155.06	102895.54	179510.8	55357.31	47143.3	65218.02
Finaconitine	1493.74	2869.01	1244.38	1616.95	2153.7	1536.51	1165.74	846.79	3225.48	932.42	1792.62	1436.38	784.68	848.18	2594.76	2831.83	1397.12	2693.22	5576.03	1982.11	4060.48	3116.83	2422.59	4338.92	12578.48
Bilastine	8853.63	10026.53	17980.94	10578.82	11570.41	12518.77	19694.02	37815.46	12542.74	23646.57	39283.78	22580.76	21636.47	40179.35	13940.83	16345.7	14394.05	52882.0	36621.61	36663.28	14774.33	34933.59	11811.52	11397.53	10738.84
Croton factor F1	13164.83	11590.66	9025.28	13602.76	10559.53	17018.88	12501.71	13338.33	17062.95	20655.8	18265.87	11044.77	11046.08	10190.25	10766.54	12411.69	14987.04	13629.59	10391.81	16970.07	9967.2	11994.04	14370.8	13104.23	11141.59
Leucodopachrome	12563.55	11569.29	10372.35	10915.38	13139.85	9417.53	7782.65	11234.07	11149.17	11038.07	9307.54	8883.5	4022.89	9828.97	9860.23	7234.47	8908.27	8220.66	10115.0	9447.43	9004.59	9883.96	7994.0	966.22	13490.97
Spirolucidine	4169.18	4488.79	3955.72	5078.23	4915.32	2624.33	3278.15	2885.46	6726.53	6728.0	5871.82	3132.63	5851.26	3738.99	3389.14	5038.83	4084.43	4191.49	2248.56	4885.62	2517.67	3151.38	4357.95	2389.49	1876.4
7-Methyljuglone	6135.14	5990.93	6310.49	6101.51	6941.69	6714.35	6263.04	6938.02	6344.09	6786.35	6460.75	6543.92	7979.69	6402.63	6994.6	6537.67	7337.06	6169.92	7008.58	6693.31	6877.62	7270.68	6869.04	7691.0	7779.71
Ipomeatetrahydrofuran	46291.71	44588.35	48485.0	47152.11	44922.56	46376.21	60750.86	41829.3	45431.55	42455.46	39558.79	41887.45	42290.56	43105.48	44272.5	41212.58	39189.92	56494.47	44602.25	39960.37	44424.02	41305.58	41655.77	41805.44	39980.19
Veratridine	11142.88	11851.65	10734.32	12924.5	10936.14	14521.92	12585.45	13842.08	15182.79	15294.7	15771.19	10715.44	10144.87	9000.1	10576.83	10457.8	12037.63	11944.07	10650.77	13312.58	8965.58	12390.09	13759.0	12229.11	11307.92
Erythromycin B	3830.81	5138.98	4237.89	4148.66	1934.97	4271.91	6919.44	3932.06	5091.93	4214.26	5377.88	5892.23	5612.17	5270.35	5253.16	6537.06	5628.44	10499.31	6679.01	6990.54	6440.57	5615.85	6541.28	8050.87	6645.7
S-methyl-5-thio-alpha-D-ribose 1-phosphate	3030.54	1974.88	303.41	2762.43	2796.69	7506.65	432.15	3254.01	8393.22	7458.9	2157.09	426.38	5557.12	1635.42	853.05	1106.04	4081.43	4748.56	6127.63	9757.45	3166.98	2775.45	3413.74	8865.91	9234.42
Digallic acid	4783.6	2593.02	3351.85	2592.57	7152.56	3089.97	4524.17	5169.93	4613.73	5713.69	4791.02	4949.84	2713.55	5278.02	4241.37	2550.15	1864.83	3825.67	2447.68	3019.22	2662.09	4616.15	1648.9	2473.11	3040.36
"3D-3,5/4-trihydroxycyclohexane-1,2-dione"	10117.95	7838.11	9318.54	9998.92	9256.73	12051.99	10733.92	10439.4	10055.05	10791.49	13728.89	15733.14	17586.82	10669.03	17443.39	3744.54	9269.7	12898.63	14545.83	11774.01	9975.76	15381.78	14511.46	5977.11	19894.12
Notoginsenoside T2	4377.36	6229.24	5710.51	5103.43	5867.27	5681.44	9056.93	7265.1	5760.81	4940.93	4504.56	5168.1	5803.13	5293.26	6000.63	5486.08	5574.14	6614.99	4274.24	4037.27	4925.81	5657.37	3503.87	4408.2	5299.04
2-Octaprenylphenol	4120.04	2824.8	555.52	1635.13	495.13	44898.71	26641.79	13527.93	163596.79	29861.5	33873.01	18410.03	25514.36	18131.81	11158.41	47530.19	62003.4	31853.45	70673.47	22158.66	22750.18	25346.27	20458.72	22580.95	113359.52
Matromycin	9241.98	8116.47	8404.4	9398.43	8985.9	8952.19	14489.51	8782.2	8517.83	8783.7	8120.79	9161.38	9098.97	9086.38	8988.84	9140.09	10255.76	15863.37	9369.36	8885.9	10265.22	10684.02	11144.48	10550.42	10420.36
"11-Hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-(3,4,5-trihydroxyoxan-2-yl)oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid"	6115.38	6156.25	3542.68	6456.33	5486.58	8017.63	6744.87	7828.97	8887.41	10530.25	9402.66	6054.98	4843.21	4006.44	5354.99	5719.16	7085.63	5870.16	5540.46	7095.26	4965.77	5799.85	6773.35	5638.59	5239.92
L-arabinonic acid	19097.49	17683.29	18370.87	18262.08	18930.8	14592.64	13282.27	15382.33	10731.62	15575.29	11731.1	13073.29	26316.64	10110.94	9798.22	8729.09	9430.52	10227.78	10602.56	8588.87	8592.98	11047.31	7964.78	9028.79	20969.5
Deoxycholic acid	9480.3	14971.57	12432.14	18380.41	12286.58	63431.93	28805.32	22312.83	15591.13	21573.78	2331.56	6433.83	22289.7	5660.88	5143.48	13344.49	6088.35	26701.11	7884.58	6913.56	6492.47	6615.4	8559.64	19698.17	8963.47
Artemisyl propionate	3204.26	4047.34	3325.48	4638.92	5265.55	3246.0	7499.46	6022.9	6860.42	9312.49	8243.56	6474.68	5910.18	6538.36	5823.58	7717.64	6722.49	7029.89	5114.21	4630.89	6682.87	3976.0	8304.04	5312.81	5854.32
Lansioside C	7371.73	8156.29	5933.48	7242.1	8545.6	9112.86	10196.69	10518.28	9280.97	9402.14	7391.45	7918.92	6244.11	5626.06	6183.65	6548.08	9270.82	5967.8	6909.24	7362.7	6260.57	6428.62	8156.12	6569.27	6667.38
Teleocidin B-1	1558853.9	1689106.8	1610321.86	1608881.36	1551616.41	1865647.85	2356145.27	1877907.9	1865235.12	1833655.55	1696150.97	1656771.18	1800810.76	1869170.18	1778626.71	1766396.47	1808111.08	2419646.97	1858481.97	1757003.62	1923341.1	1609607.58	1871759.79	1851323.46	1890452.21
L-Cysteinesulfinic acid	2658.48	2274.0	851.63	2276.75	3747.9	4078.9	7352.3	3642.4	2503.75	2727.78	3643.15	2046.25	567.75	1050.92	1186.76	593.09	1144.51	3519.22	488.47	4801.71	3081.03	2295.14	2756.31	539.13	652.95
Ampeloside Bs1	3053.4	4653.32	3063.85	3736.44	3814.25	4823.38	3602.86	4912.83	5567.57	6059.42	5647.07	3532.63	2934.43	3167.72	3201.48	3389.07	4258.66	3418.9	4008.88	5073.17	3227.19	3769.9	5384.75	4533.74	4094.88
Desacetylvinblastine	7121.13	7453.45	6252.43	7460.76	6446.97	10072.56	7257.25	8987.93	11270.75	11595.84	10142.05	7491.54	7836.43	6384.66	6655.4	7289.28	8451.73	8301.91	7475.8	9853.85	5865.2	8804.21	9431.83	9011.61	7183.64
"12-Butan-2-yl-19-hexyl-6-(1-hydroxyethyl)-9-(hydroxymethyl)-16,18-dimethyl-15-(2-methylpropyl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone"	4263.97	1949.84	4777.07	2404.37	1626.81	2819.51	12953.76	7723.93	1086.06	3594.4	10273.98	9452.98	14808.74	14288.61	12951.92	9912.75	10159.35	24918.2	15839.23	9844.53	15563.26	9057.56	12165.95	12789.89	7985.2
Leucomycin A13	18564.74	19325.75	15526.77	22803.42	18059.57	26049.59	17760.59	24614.31	28081.0	30271.44	30241.52	18148.43	15061.91	13358.58	15606.39	17819.52	17684.13	13190.15	17409.26	22384.15	12307.16	16543.28	20108.86	17512.27	13206.64
Acetaldehyde	8626.43	15718.11	12183.25	9396.02	16801.88	11115.75	8926.89	10803.42	5968.27	9199.95	11271.35	15478.96	14735.15	13778.29	11466.89	17617.17	7918.08	80998.41	3696.45	11298.76	7922.53	8536.07	7158.35	6822.09	7585.65
Tetrachlorvinphos	7822.08	8719.76	7078.27	7855.54	8480.48	7986.92	6292.23	6908.96	8067.15	7707.26	7665.63	5443.24	6228.67	5158.79	4955.69	6253.66	6550.38	5245.1	5174.96	5311.56	7083.56	4859.04	5017.77	5942.68	5032.5
Latia luciferin	11315.99	10213.05	6917.56	12547.47	9312.67	16636.91	10345.06	11709.26	15187.4	17859.66	17352.7	10670.96	10039.68	9201.64	8291.05	10428.63	10424.75	12753.7	8729.75	14055.5	8668.44	10506.38	21139.3	12161.97	10503.43
Desmethylalborixin	22014.84	21937.09	22502.25	22861.74	24285.85	24962.34	36399.81	25252.77	23783.34	26079.87	24705.63	22804.17	22257.53	22650.66	21114.93	21964.55	20418.98	31478.3	21459.8	19135.34	21050.36	20161.68	19630.34	20000.55	20676.66
Polyoxyethylene sorbitan monooleate	23701.5	27577.19	26564.88	22592.74	25863.89	22901.63	26661.73	39983.57	50393.33	23639.37	11681.62	16827.4	7936.83	13308.36	13254.61	12470.57	8249.09	10683.55	3593.83	4194.66	12111.42	7385.68	2924.03	23462.01	18259.59
Dihydropteroate	587.4	2815.3	4123.26	2527.03	2978.58	5746.43	5893.63	6254.77	4229.08	8582.06	4942.91	2740.69	399.35	20533.75	4870.04	27624.88	17560.53	9035.74	5600.04	4310.89	7607.02	779.34	2484.11	16061.94	1532.04
Glucosyl passiflorate	3484.63	2822.89	3071.45	3492.41	3858.69	5217.22	2058.12	4821.37	3021.55	5808.0	4590.23	2209.29	3445.73	3086.57	2967.9	4225.04	4289.16	4413.7	3703.52	5652.41	3831.68	4481.34	4830.17	4025.55	4221.28
7H-Purin-8-ol	7564.65	5970.49	8894.2	9740.01	7492.19	9838.34	10047.22	6173.99	7298.55	5981.64	6036.19	9660.28	6040.4	5534.37	5727.17	6869.74	6719.84	5855.22	10082.23	8711.58	8761.37	8596.0	7982.56	6976.56	5866.81
beta-Ccb	6654.3	7007.22	8622.06	8217.17	9425.67	10269.74	5097.21	9465.33	9206.63	10513.83	8573.0	9077.86	10723.04	9115.04	9474.62	7837.06	8721.48	4209.49	7110.21	8686.86	7986.56	7611.8	7734.67	7170.92	7675.24
Polyporusterone G	17451.45	15331.88	15656.44	20810.14	17060.54	17268.97	29005.96	19574.96	20287.68	20005.47	23947.06	27082.49	27812.5	24961.79	24499.26	24417.07	26162.55	39263.29	26826.16	27221.46	29384.2	27693.79	27567.96	29293.16	26031.97
(8'R)-Neochrome	2838.73	10352.0	6462.46	10131.25	10966.32	10752.47	14609.84	9174.23	5428.14	10226.18	11009.85	15193.03	14907.73	17958.83	14606.97	15460.73	14266.55	16827.89	16376.44	16419.68	15027.96	16131.52	12026.01	18640.21	18827.12
Petromyzonol sulfate	33580.99	32790.27	34940.77	33799.58	31764.04	33683.14	65772.71	33855.48	33658.17	33586.46	33794.33	34829.54	35526.19	32532.37	34435.48	35793.46	33233.02	66239.39	33695.14	33662.55	33857.13	32723.77	32160.48	30014.95	32858.5
"(3R,4S,5S,7R,8R,9E,11S,15R,17R)-3,8-Dihydroxy-17-[(S)-hydroxy-[(3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]methyl]-4-methoxy-5,7,9,11,15-pentamethyl-1-oxacyclooctadec-9-ene-2,6,12,16-tetrone"	846.67	1579.26	2347.46	1351.47	1324.4	1341.07	2842.64	3862.56	674.67	2026.65	3402.71	2651.85	3461.3	853.9	4935.13	5325.61	5716.31	9212.8	7591.84	4890.2	3873.63	6206.06	8983.98	8416.81	4762.83
trans-3-Feruloylcorosolic acid	2047.15	5828.81	4919.36	1912.21	6706.76	6604.47	10067.51	7274.38	2364.61	8121.87	8279.42	8596.81	9362.99	10276.97	9593.81	11354.32	10822.63	17384.54	11595.49	12717.17	12105.35	12276.31	13156.54	12089.7	11505.39
2-Propanoylthiazole	2549.8	1096.33	2236.39	2407.49	2450.71	2352.8	2092.14	2557.26	2376.77	2829.92	2305.43	2576.28	2645.2	2537.47	2810.11	2433.78	2772.96	2842.14	3019.21	3067.1	2978.7	3145.09	3061.72	2997.73	3198.27
3-Mercaptolactate-cysteine disulfide	17720.16	19771.88	16722.87	18365.72	18673.14	23754.81	9350.72	21160.87	24832.85	22203.83	15829.78	26736.16	20198.25	24281.72	23672.59	20268.09	26915.5	8983.81	27173.75	21140.86	28255.2	23610.22	25564.91	28532.86	23010.03
Synaptolepis factor K1	988.05	920.71	1240.28	934.86	1603.85	1203.91	3148.06	1953.72	776.5	1565.27	2635.9	2818.79	3354.12	2537.31	2406.17	4611.75	4209.15	7177.89	2139.24	3127.12	1650.07	2054.75	2541.05	5587.0	3061.95
Anhydroamarouciaxanthin B	12850.87	14130.85	12248.29	15312.94	15110.65	18925.72	12407.17	19075.58	18894.51	21884.35	18822.64	13577.59	13119.72	11110.52	15217.12	14236.35	16566.22	16329.17	12547.04	5757.83	4780.4	14959.32	15693.58	14264.02	8585.06
Lucyoside Q	11093.39	13405.54	15012.29	18615.69	19128.73	13982.17	21395.63	19921.87	14513.09	19891.5	20439.21	21310.47	18306.11	18911.25	17280.63	22316.83	16097.09	35169.93	18767.34	24319.31	19063.76	20946.5	20939.85	26120.89	19118.95
Oolongtheanin	14669.82	13485.58	11991.45	14856.99	17233.37	10943.06	9638.7	15956.12	15074.66	13291.96	14390.99	12738.17	9425.63	9573.05	11662.86	12497.29	11273.74	10118.86	10226.66	14501.8	5231.1	11285.39	10368.26	10457.68	11491.0
Hemibrevetoxin B	1161.39	1253.01	2126.51	1824.97	1888.92	1555.56	1864.71	1617.35	1649.32	2295.42	1435.48	1370.35	661.85	1037.14	1820.68	868.12	4566.39	748.34	2366.38	2880.21	2303.28	1200.94	1391.26	1960.37	1354.0
N-[(R)-4-phosphopantothenoyl]-L-cysteine	60565.86	16576.94	14672.94	56501.52	15991.47	59302.29	23603.84	12838.66	59025.55	12193.38	81794.49	13630.0	131891.6	116772.52	12036.4	56424.2	12705.43	21930.25	11747.93	12196.4	12710.47	22616.41	10621.18	11510.0	10515.59
Cynarasaponin F	10563.83	11176.67	7975.37	11445.47	6452.49	14584.65	9575.33	14481.85	14996.89	16287.88	15372.97	10096.31	9437.96	8306.41	9526.25	9905.57	10264.5	9392.58	9759.37	15292.96	8141.79	11421.15	13022.24	12478.85	9187.37
Soyasapogenol B 24-O-b-D-glucoside	52712.89	55868.87	51785.26	54244.37	53967.82	54686.95	85540.08	59463.77	52719.29	55182.03	57497.09	56020.66	56210.17	54068.19	55553.68	53421.09	50964.78	81257.83	54433.8	54486.93	54387.67	53840.82	51806.64	52228.56	51456.68
Enalkiren	5828.21	4927.72	4804.82	4810.47	5761.6	4596.24	3419.27	4341.3	3719.58	4413.67	5263.77	6235.11	5094.31	5541.4	4139.65	5529.2	5597.81	5525.78	4530.27	4489.38	5022.33	6216.72	4861.44	6708.91	5367.14
"3-Buten-2-one, 4-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-"	33890.97	32746.15	34500.06	33696.24	33302.07	33872.26	51738.52	33007.3	34400.01	34129.24	33539.59	32911.26	31425.99	34169.21	33407.4	33612.83	33912.21	51470.09	31603.59	32507.25	32016.35	30583.65	33065.57	32976.82	30926.68
Carnosifloside I	10656.34	11908.45	9024.71	14195.84	9959.61	15014.25	13201.6	15176.32	15735.08	19494.15	17736.13	8486.63	9854.86	8211.34	9945.44	10220.46	11841.82	11448.92	8524.68	15451.69	8132.65	10401.87	13097.92	12709.71	9701.56
Pandamine	7619.46	7702.31	7865.69	5096.1	9181.91	6944.92	9178.67	9424.86	8607.76	7681.95	5749.23	6821.32	10401.19	13311.14	8872.71	11480.95	9530.64	10621.69	9885.01	11057.99	13844.63	9009.28	7881.07	10028.05	14188.99
Indole-3-acetaldoxime N-oxide	4143.85	4038.79	3524.62	3144.53	4164.83	4015.55	3811.26	3708.04	3913.07	3593.17	3664.12	3737.78	3679.21	3747.48	4162.2	4100.2	4505.73	4215.48	4211.08	1341.24	4346.43	4080.89	3313.33	3854.91	4118.75
2-Keto-3-deoxy-6-phosphogluconate	9366.85	6297.22	7878.05	8533.19	6935.54	15855.99	12987.01	10384.27	8051.2	13723.87	9282.65	6053.2	6827.16	12107.95	8557.02	9746.08	12658.24	21761.15	18552.41	12581.8	15321.83	8499.5	20108.79	8559.6	8314.0
Azaspiracid-1	10226.67	11019.67	7155.93	11968.21	10132.11	13883.98	10274.89	13574.91	15320.47	17532.82	16387.24	9332.37	7658.94	7341.41	10923.51	5184.71	9875.83	7722.05	9799.61	13339.84	2145.54	9148.67	5928.37	10032.67	9596.47
Aqupla	41189.8	36709.04	37927.95	37058.57	36594.42	40802.33	42614.16	50807.48	41521.37	38116.97	45231.43	59549.03	44646.7	48716.25	52679.7	52143.72	57456.18	56535.68	51185.53	57020.62	48928.65	56603.68	56952.71	56253.81	49959.32
Butenafine	1131.67	483.0	2669.26	4705.01	3413.11	3378.68	6111.91	2859.98	687.53	2690.1	4440.68	6257.2	5010.48	4127.75	5452.77	4465.8	1784.92	1158.34	1873.49	1465.08	1793.49	4794.55	3622.02	1164.47	2722.76
Docosadienoate (22:2n6)	1862.3	1255.26	808.17	2592.2	1342.68	2373.91	1319.6	3249.24	3432.71	4113.78	2740.54	1796.2	1252.85	975.41	2263.92	821.97	2298.61	2180.47	920.63	2243.14	1125.3	1070.27	2457.84	1883.81	1113.94
"3-[(2S)-1-hydroxy-2-[(1S,2S,6R)-2-[(E)-3-hydroxy-2-[(2R,3R,6S)-6-[(E,3S)-3-[(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl]but-1-enyl]-3-methyloxan-2-yl]prop-1-enyl]-6-methylcyclohexyl]propylidene]oxolane-2,4-dione"	3576.84	3248.17	1723.58	3808.33	4117.37	2773.58	3086.08	3256.75	1545.66	1106.19	2307.13	4618.21	4523.96	5899.91	5158.23	5762.28	6041.49	7959.55	5030.44	5267.06	5918.33	5494.66	5198.03	5143.49	6780.08
Ustiloxin D	2814.27	1362.98	1602.5	2331.44	3477.49	1430.24	669.66	1032.94	3969.72	2697.23	1411.95	2705.27	1595.88	2784.16	9690.16	4169.91	3330.6	4517.34	19373.75	3603.56	3560.35	9375.24	2094.93	11126.28	59747.96
Xanthurenic acid	2814.51	3127.71	2845.98	2692.21	1670.75	4508.12	3588.67	4432.45	3762.34	3685.37	3012.87	3350.45	2489.91	3428.49	3998.22	3617.09	3397.34	2950.15	2261.73	1169.25	3057.29	3211.57	1656.27	3352.55	2016.25
15(S)-HPETE	24648.92	26850.05	24862.42	21802.39	23152.37	19795.26	23343.17	20964.61	22644.61	21860.49	18740.25	18149.86	16112.25	16161.59	15059.82	19484.47	14989.75	17228.9	15436.23	27894.95	21637.49	19102.89	22485.62	17878.65	12168.72
Oglufanide	27604.41	26107.74	23439.63	27851.02	28552.29	19037.04	19187.24	21748.98	29767.92	21686.31	21843.03	23049.23	18439.74	25520.81	19878.12	16381.49	17615.26	20404.07	19449.97	17852.99	20831.56	26427.54	19641.98	17597.25	21876.19
"9S,11R-dihydroxy-15-oxo-5Z,13E-prostadienoic acid-cyclo[8S,12R]"	17462.73	30989.75	24311.4	23692.87	24179.61	26896.38	34489.18	33343.16	29186.39	34373.75	24837.66	19112.77	14263.93	49650.32	19992.46	65388.79	40524.03	32667.02	22564.46	29432.83	28299.95	18086.02	19679.64	41569.79	13120.12
Fluvoxamine maleate	598314.78	589692.3	589371.85	567634.14	602698.83	565265.71	689057.85	576086.66	583329.41	636952.68	605264.04	633287.19	634077.84	616763.37	585453.79	578352.27	606416.41	706653.12	586972.46	610594.94	646181.8	699888.45	599293.71	630267.54	677034.42
N-cis-octadec-9Z-enoyl-L-Homoserine lactone	36136.65	34662.74	27596.11	38999.18	33803.93	43880.01	33704.34	31823.44	39309.25	43074.3	36457.94	24074.06	22912.6	22754.75	26940.47	23082.35	25436.64	24330.68	26018.06	32152.04	18644.49	28539.93	29987.09	24544.33	18819.93
Panobinostat	4479.48	4627.99	4234.9	4749.77	4153.27	5933.78	5792.08	4622.96	6091.91	5853.67	5522.36	4513.99	4523.54	4390.49	4290.58	4970.67	5013.58	6763.07	3531.9	5525.9	4805.72	4276.66	6726.31	5189.4	5487.01
"(6aR,10aR)-1-methoxy-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene"	25966.1	27248.82	21517.01	24794.29	23280.2	28655.83	24045.69	21214.74	25353.82	32884.17	29570.16	21851.35	21725.71	20022.82	20915.85	19625.99	19829.19	20228.75	21775.7	26633.78	20661.76	21970.07	22439.09	22953.37	21499.55
"(1R,2R,5R,8R,9S,10R,12S)-12-Hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid"	8530.52	5923.45	6366.19	8501.14	3476.69	9258.27	9772.34	8412.2	7248.9	10598.78	9454.82	6570.16	8163.44	6824.83	5131.75	8558.36	7818.73	6319.15	6584.84	9566.14	5817.7	7602.28	8781.49	8352.46	9712.91
Arginyl-glycyl-aspartic acid	2181.4	3681.26	3760.8	2568.82	2332.61	2778.43	4551.83	1738.68	4349.52	2086.01	2516.58	2168.33	2395.55	2257.41	1692.08	3401.49	2217.78	6409.49	4321.37	3154.31	4496.6	3385.58	4930.73	4926.38	2434.84
"(1S)-((2R,4S,5R)-5-Ethylquinuclidin-2-yl)(quinolin-4-yl)methanol"	13845.61	14283.66	14417.22	16118.49	13934.86	15398.66	24575.55	16017.71	14572.48	14726.2	14758.95	14080.78	14430.69	14250.45	14962.66	15150.56	15072.52	24008.68	14269.05	14222.19	13891.89	14909.36	13992.09	14025.65	13581.21
15(S)-HETE-d8	517.82	694.4	976.73	663.61	512.18	1279.4	1632.08	459.44	1128.08	1463.25	1050.18	1014.45	767.61	905.42	1097.06	896.47	1414.59	2180.16	1022.57	912.03	821.7	823.54	635.05	381.5	777.75
Tranilast	9476.7	9712.46	9831.41	9916.79	9434.21	9112.36	16949.55	9599.24	10391.95	10433.15	10083.38	8988.47	10066.91	11263.17	10904.95	11996.58	10554.57	17962.4	9931.82	10966.88	11949.87	11398.99	10837.95	10753.31	11110.39
"(+)-3,4-Dihydro-3,8-dihydroxy-3-methylbenz(a)anthracene-1,7,12(2H)-trione"	45921.07	42993.82	31478.4	39083.95	35824.59	108397.15	70113.89	62034.83	62446.31	62768.0	55358.54	73281.38	129210.28	54250.17	117673.54	94770.37	71205.85	50794.75	52484.39	64428.9	38533.6	71521.77	47906.33	75198.68	128756.34
BzATP	2828.33	2444.37	2982.07	3963.69	3094.57	2931.3	5222.12	4070.9	2739.05	4640.51	5093.47	4889.49	2362.67	3841.33	2213.3	2815.04	2220.42	3545.96	1099.52	4075.41	1392.72	2250.95	3458.72	1969.24	1057.13
"Cholestane-3,7,12,25-tetrol-3-glucuronide"	712.02	2030.45	2538.82	1127.77	2013.27	3588.8	8582.79	3212.94	2640.35	1202.47	6632.37	6209.02	8232.26	6317.18	3673.43	8954.76	7262.38	12949.49	8835.62	7256.43	6792.02	9230.8	9149.41	8330.74	10897.43
Vinaginsenoside R14	11104.18	11115.45	9185.37	12621.59	10537.84	15285.14	9887.89	14365.25	15689.29	19023.21	15110.56	9593.13	11531.45	10099.72	10460.05	11338.29	12704.02	9978.42	11109.77	15211.98	9134.58	12006.48	13442.57	11664.5	9923.33
"(3b,6a,12b,20S,23E)-Dammar-23-ene-3,6,12,20,25-pentol 6,20-diglucoside"	8504.77	10631.51	5394.88	1224.52	12373.8	5334.76	18010.05	11368.73	9356.39	13114.51	14648.45	16304.36	17297.95	13473.54	16263.66	18736.52	17215.0	23366.15	18770.37	19775.81	15762.37	16922.27	18023.67	18570.23	16880.18
"methyl (1S,15R,17S,18S)-6-[(1S,12R,14R,15E,18S)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-17-[(1R)-1-hydroxyethyl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate"	5683.82	5941.57	5516.25	10002.06	6396.57	10380.14	7061.26	10633.96	11431.08	7959.16	10731.96	6138.51	5902.39	4057.56	5400.43	6569.52	5291.06	8946.26	6789.64	9516.8	4807.8	5934.21	7375.69	7964.21	6728.3
"(1R,6R,11S,13S,14R,21R)-7,19,23-triazahexacyclo[9.9.1.11,13.12,6.07,21.014,19]tricosane"	44842.41	46987.49	35754.1	50370.48	39435.79	62563.38	48160.61	60875.96	63092.81	71978.02	60234.46	39752.16	40859.61	34647.74	40234.49	41373.59	47130.82	45554.62	45618.78	53720.18	37386.37	40899.22	60860.9	49286.46	39484.13
"(2R)-2-[(2R,3R,4S)-3,4-bis(2-hydroxyethoxy)oxolan-2-yl]-2-hydroxyethyl dodecanoate"	183007.39	178490.89	174938.68	183447.68	176213.84	181274.29	178733.19	184361.01	173214.36	181033.83	173054.69	178218.78	183942.38	182264.27	180162.04	187353.55	176636.64	187893.9	183877.12	187075.34	190615.11	189674.69	202407.95	196204.61	203488.27
Dslet	2215.98	3288.59	2445.31	3952.84	3860.57	5061.37	3515.93	4422.45	5984.43	5979.92	4804.91	4139.19	3154.39	2877.63	2564.25	3773.45	2173.28	3221.54	3504.99	4731.55	3107.19	4115.34	3539.04	3731.99	3007.88
"(1R,2R,5Z,12R,13S,16Z)-25-(9H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol"	27390.18	27349.09	30038.07	28256.01	29600.66	33677.94	31307.39	30488.24	31165.65	30912.8	28416.64	28294.04	27890.9	29441.06	29444.24	27943.42	28514.66	50214.09	28377.27	30684.45	28414.41	30250.19	27293.04	30050.54	26773.44
"16alpha,17-Dihydroxypregn-4-ene-3,20-dione cyclic acetal with 2-furyl methyl ketone"	24975.0	23882.85	23385.81	22422.25	22854.49	23692.56	40128.1	22574.08	23171.89	25344.02	23140.87	24386.25	23633.93	23644.23	23178.68	25780.39	25149.7	44771.09	27153.71	27124.94	26864.34	27764.9	26625.74	26338.81	26729.84
"(1R,2R,4S)-p-Menthane-1,2,8-triol 8-glucoside"	5852.98	7165.52	6288.68	6059.38	6632.21	7619.61	11379.76	5587.76	6578.19	7457.12	8306.64	7004.7	6603.3	7750.47	6388.43	4754.68	7556.8	11296.06	7188.67	7419.03	7379.45	6609.86	6924.72	6590.93	6129.9
"(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-17-[(1R)-1-hydroxy-1-[3-[(2S)-3-methylbutan-2-yl]oxiran-2-yl]ethyl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one"	27310.86	26561.27	22513.51	29993.09	24737.19	30686.65	27382.13	27455.4	32432.73	36991.38	39605.74	18401.26	22056.73	18854.7	18893.88	21056.9	20813.46	21995.56	26980.53	32407.76	15806.38	19048.33	23973.95	21220.43	19154.59
LPC(15:0/0:0)	86783.23	75621.57	82691.38	75452.68	70562.25	77518.81	70971.3	41805.57	58729.39	57211.63	63484.52	58357.86	74389.41	69125.82	77088.21	74373.65	77608.57	67316.1	57213.26	61602.7	59435.12	171712.24	64258.45	60415.69	67013.43
1-Deoxyvaleric-acid	2231.39	2489.3	2122.48	2031.56	1101.12	2552.1	3001.48	2442.39	3212.81	1107.75	2510.49	2047.77	3230.28	2937.68	2775.22	3243.55	3523.45	4243.85	3474.64	2477.0	3319.58	2807.86	3831.1	4278.43	3280.13
"N,N-Dimethylformamide"	3998.31	8224.79	7022.57	5171.53	5358.07	7329.94	3136.97	7039.47	7158.3	7453.46	6477.18	6943.25	8081.34	4466.69	6719.78	6889.83	6097.15	3591.48	5606.48	7022.18	7812.33	4794.75	6880.73	7748.25	7853.03
LPC(16:2/0:0)	26172.72	28505.06	24222.92	20651.37	22191.27	54147.38	37283.84	39970.45	22048.98	21477.49	28178.78	25007.66	31517.22	21256.07	30840.35	25971.83	21449.34	19527.32	13579.38	16378.52	4472.89	13642.55	9051.94	21234.37	21575.76
LPC(0:0/20:3)	1038193.07	1155002.33	1185613.5	1345373.29	1167491.68	1382835.66	1262956.64	1311808.41	1248027.04	1215998.74	1044522.71	994510.92	981353.89	985008.97	1322282.89	964589.72	1406492.18	997881.83	890717.41	860896.0	848165.88	906462.46	466040.57	785755.35	831898.85
Butenoyl-PAF	117390.33	93594.06	99153.46	97734.3	102838.24	81364.22	75677.9	80939.2	75520.91	69774.72	53027.33	63205.19	47710.09	44182.42	44140.24	32771.35	41862.14	39868.81	39275.28	35611.78	34592.98	46792.87	33388.98	34245.61	39590.3
Diaveridine	23063.17	26016.97	26504.49	26021.33	26519.23	28262.81	18805.17	31170.17	29206.84	32133.29	33006.41	26731.79	25008.72	25015.83	24418.94	24191.48	28339.66	22198.26	31794.69	30243.35	31853.46	29995.17	38826.39	34321.35	30623.46
N-Cyclohexylformamide	5420.37	4848.89	6361.21	4477.85	5054.4	5054.43	6971.27	5519.02	5548.01	5745.73	5613.5	6058.86	5036.72	6965.05	5166.17	5419.86	5756.92	1936.85	5439.19	5505.55	5447.63	5590.39	5641.39	5847.44	2804.09
LPC(0:0/22:4)	37592.48	29494.16	32254.04	30253.33	32386.91	25977.5	25837.44	25508.7	23619.59	23598.98	17453.89	19077.28	16697.05	13248.74	13522.88	9892.37	13018.71	13602.38	12085.45	11747.69	10000.71	16416.85	10070.73	11017.38	12993.74
LPC(18:3/0:0)	146965.75	142880.03	123574.43	116117.85	119411.13	179617.95	137891.18	120341.78	99262.11	112798.68	97143.85	101854.53	108078.51	110814.62	91055.02	80437.01	77602.33	79130.25	72793.72	78409.9	57547.78	81015.82	49885.78	73299.86	94102.32
TRIPHENYL PHOSPHATE	5044.31	5271.09	5431.46	5665.23	4824.49	6357.54	8982.62	6068.61	6391.18	6986.0	6577.51	5740.12	7086.81	8135.32	8259.87	8213.65	8312.57	12844.95	8318.26	8918.42	9788.67	8448.93	9173.47	8662.64	9067.1
LPC(20:2/0:0)	36568.53	39363.37	24846.38	10424.0	40814.76	24118.33	6240.63	9512.66	28346.47	29203.1	26149.91	8590.7	9297.89	17052.67	5839.7	1409.3	10406.39	1380.07	1823.56	3107.95	3863.93	5955.59	5865.88	5441.0	5830.39
LPC(22:4/0:0)	5124.45	6902.63	3714.45	6675.52	5130.28	4753.33	4211.75	4580.82	3678.45	3169.04	1571.5	3996.43	3044.34	2195.16	1496.59	1962.25	2265.89	1595.31	2492.67	2057.02	793.18	3165.43	1065.93	813.46	1985.82
Carnitine C8-OH	4708.17	2904.84	1240.98	3146.36	1972.62	5244.47	5438.54	3757.06	8882.26	12938.22	5274.29	4246.05	6380.76	6014.91	5535.11	5099.33	6320.04	9016.96	6330.66	12355.87	5028.42	3574.4	4553.18	8382.1	4383.38
LPC(20:5/0:0)	90956.93	53985.12	20960.06	21615.86	20385.17	64196.72	17369.16	48106.59	50815.04	19392.07	9827.53	14675.89	14462.86	12836.14	14657.42	9936.42	14749.87	12219.14	12478.73	15700.43	13432.5	14548.79	11410.89	10301.28	12778.47
Spironolactone	1575.3	1642.46	1554.87	2257.03	1680.45	2120.16	3563.49	2433.34	2325.34	2016.64	1694.76	2064.31	3025.0	1514.18	2613.74	2535.62	3113.51	4347.33	3403.93	3763.51	4007.25	3025.41	3574.79	3774.62	3320.17
LPC(22:5/0:0)	75370.15	66691.26	71303.85	60538.14	64720.89	74735.79	65739.55	72933.8	62725.9	57555.57	41814.09	46291.85	38050.31	34519.79	38146.82	30288.06	37822.73	37912.52	38596.56	38429.08	26693.89	48236.25	31532.49	34409.91	37776.81
"9alpha,11alpha,15R-Trihydroxy-17-phenyl-18,19,20-trinor-prost-5Z-en-1-oic acid, isopropyl ester"	12482.93	12361.79	8650.21	13121.95	11342.94	12808.39	10359.11	10399.48	11449.78	14153.55	9941.22	6661.47	7763.22	5996.36	6543.82	5606.45	6389.54	7038.62	6487.22	9231.88	7365.9	8529.28	8857.97	6199.51	5621.83
LPC(0:0/22:5)	268125.75	256638.62	271923.77	273052.03	289063.98	182180.11	193776.89	210862.52	201494.57	222040.15	159987.94	181409.48	146221.83	130652.09	136824.26	106903.82	122117.64	133756.45	119056.63	121337.72	103924.79	166521.65	109024.5	101686.77	107640.54
Confertifoline	24737.38	23821.93	18715.83	26119.97	23299.95	25823.28	26446.05	32947.94	28558.67	34735.31	34924.87	23089.45	22010.72	21005.18	23514.07	23724.38	26134.73	24265.13	25235.67	30333.88	28906.4	26051.34	29084.01	28598.67	22827.18
TRIETHYL PHOSPHATE	816.06	1296.91	520.7	733.93	876.76	1433.54	1529.22	1294.35	1298.97	1464.42	1284.89	1019.19	1204.63	1604.04	714.92	837.28	856.92	1237.15	1221.82	452.09	579.93	976.43	1708.69	894.01	440.09
Carnitine C18:2-OH	13599.16	2580.16	6561.35	3639.67	8677.4	4997.16	3026.33	4660.23	22486.4	12672.35	4552.66	6139.75	7961.63	1328.89	5560.79	14320.9	6670.56	26891.84	6244.69	19577.91	5028.58	4116.57	585.61	5140.23	9740.54
Carnitine C12-OH	6244.11	3562.94	1064.02	3534.44	3098.37	1708.17	4224.36	2871.68	9424.98	13355.44	2433.02	2208.96	4702.76	3722.71	4567.31	3626.51	2952.3	5418.5	3387.15	2277.76	2651.17	3220.58	1805.52	983.91	1972.79
LPE(0:0/20:4)	40637.15	25810.65	37382.86	33754.28	35487.87	36106.08	35598.14	38471.01	32669.09	31957.26	28487.55	30026.52	23364.23	23897.85	24789.2	21426.69	22487.11	24476.22	5013.81	22453.66	11633.85	28094.8	21132.58	4785.77	23828.05
LPC(20:4/0:0)	7252707.73	6875819.63	6704743.38	6750848.69	6814420.23	6233233.92	6140129.07	6879770.03	6368410.58	6581850.87	5015971.71	5661378.41	4459321.35	3759047.06	3905773.33	3014665.94	3711151.16	4097575.59	3839482.69	3806329.99	2808363.69	4702850.79	2976035.64	2991864.23	3503889.61
Avobenzone	18967.76	20085.76	20352.75	19179.17	20385.41	20513.79	13218.99	20862.18	18850.08	19607.83	20870.8	21740.55	14645.03	20157.71	20135.06	22365.67	18779.86	16918.76	19251.42	11462.94	15261.41	18962.51	8287.43	15765.27	19788.9
Cysteinyl-glutamate	4054.17	2808.43	12698.9	11264.85	15538.64	62878.33	447.49	1823.61	55027.41	99297.45	1037.36	10101.29	42770.97	1056.45	8910.32	4979.5	28190.38	37039.56	24427.93	165004.49	2872.86	1304.9	490.65	60299.58	97822.39
Carbaryl	10159.48	9934.65	11065.68	10352.42	9937.36	8906.45	8002.53	9807.6	7970.41	9722.04	10029.67	9907.68	9416.7	9009.63	9295.93	9299.78	9971.38	9092.97	9395.7	8786.68	9645.9	9570.71	8727.02	8845.61	9559.61
Carnitine C20:1 Isomer 1	15889.91	16342.56	16164.71	18903.34	23910.62	4622.49	5288.0	7991.86	14219.57	7435.81	8214.28	8633.29	5725.93	8853.45	11019.38	13674.45	6802.2	19087.36	20295.83	10128.24	7010.68	20005.21	10573.75	17748.51	15829.71
Marbofloxacin	5986.56	6236.38	7433.53	6621.66	4715.44	6827.33	11318.53	8477.47	908.62	4012.04	6636.52	1045.46	1779.79	8575.07	7601.16	6675.31	9155.65	13816.83	4835.84	5652.82	5477.31	5126.96	5411.14	5644.16	5550.23
D-Mannosamine	3716.89	4053.57	4421.18	3774.57	3962.56	4362.41	4513.62	3412.16	3188.0	2531.01	1931.77	2725.22	2738.28	2360.8	1079.14	2422.96	2359.42	605.45	1884.97	1575.38	1479.8	1533.49	1257.39	1807.49	1646.19
Chlorquinaldol	1729.87	386.13	1281.24	1151.81	1420.33	1204.78	559.95	2752.41	1283.4	321.63	563.43	335.8	1153.03	4430.77	1097.24	6997.86	548.68	691.16	607.09	1097.66	1018.01	320.71	1223.03	1161.52	310.29
Racecadotril	2360.89	3189.92	2601.62	1130.65	2244.18	2397.57	4051.59	2544.02	1754.14	2032.73	1433.13	2680.82	2857.04	2139.08	3086.14	2277.68	2858.82	5086.84	1499.83	2390.54	3169.25	1199.11	3459.49	2495.97	3024.96
Pro-Ile	11641.49	12374.94	8884.11	14454.45	14550.96	5362.93	4558.89	6280.1	8982.99	10272.52	9271.72	8048.72	8016.32	11144.53	10696.71	9104.39	11108.1	6851.53	11422.34	4054.28	5893.69	6717.6	4680.27	5489.96	27294.97
LPC(0:0/18:3)	7900.36	5305.06	3717.42	8101.02	8268.21	6268.95	11030.79	5957.5	5446.55	8551.3	10566.87	13753.22	10448.98	9671.26	8894.94	10353.6	12692.18	24161.59	15017.54	14004.17	16000.07	13862.28	14749.38	17371.54	17277.08
Zaltoprofen	241.23	551.41	491.4	532.32	388.57	312.84	1513.87	348.53	308.82	717.31	641.72	680.27	413.71	451.57	615.2	815.14	512.07	955.5	531.02	734.94	582.22	272.1	578.21	421.83	531.1
Thr-Val-Leu	39749.95	32809.68	36570.13	49664.47	45119.13	34510.17	52156.27	43068.31	69210.98	71682.53	47085.05	41358.99	44655.71	30689.4	40584.38	40626.8	37668.22	42381.19	33881.95	50459.78	42691.14	59728.35	79673.02	41301.3	42684.6
Saccharin	5496.13	3280.85	4703.62	4395.66	3131.92	4042.32	6165.33	6395.6	7986.68	5641.91	4292.65	5647.68	4666.41	5525.68	7627.26	4128.13	3449.33	5390.96	3359.69	5636.43	4645.97	4961.19	3369.32	2277.89	7713.73
8-Aminooctanoic acid	11922.34	10703.47	9314.35	12537.53	9368.08	17352.4	10110.07	11242.85	14007.44	16159.08	15805.7	9361.4	9711.46	8118.88	6682.21	9845.84	9746.97	10601.03	9380.58	12317.68	8381.3	9925.66	14653.94	10633.98	8891.36
"(S,Z)-N-(2-Oxotetrahydrofuran-3-yl)tetradec-9-enamide"	157200.66	169949.59	137896.78	172317.37	154815.51	194570.49	186989.94	196025.95	130341.47	103098.11	191946.6	120067.25	129393.68	125679.67	136804.33	142852.93	160137.44	145474.82	142917.4	183209.1	118756.09	152881.19	180727.03	164634.93	11885.64
His-Arg-Lys-Glu	19432.32	18279.22	15243.04	18622.66	17067.77	22229.64	19368.66	21767.35	21759.79	26143.63	23188.0	16502.55	15077.19	15782.15	15514.71	17941.09	17285.42	20292.75	18562.51	22452.54	15733.14	18861.11	24253.66	19853.67	18267.17
Arg-Ser-Ser	23192.15	23397.93	22459.83	24710.08	24755.81	35440.09	34331.39	29440.42	29187.58	34364.6	34821.57	25184.28	20723.28	22317.58	25400.35	25800.64	26258.72	37843.76	27012.84	33559.12	24930.72	27743.91	34016.59	28899.73	28631.24
Asp-Arg-Tyr	16384.16	15918.23	14332.36	16452.5	15729.69	19230.98	17447.1	17178.49	18534.48	20786.31	20162.67	15703.99	13396.87	13038.85	13538.22	15523.93	15121.38	18486.27	15348.08	17401.32	14209.48	13860.25	17829.91	7057.05	12760.9
Arg-Leu-Ala	2193.64	5252.79	5047.5	4609.01	3191.15	4429.11	6930.59	4117.23	4659.17	4455.68	3890.73	4497.57	4355.9	4724.3	5420.28	4831.62	5179.53	7132.7	5994.03	5192.8	5350.59	4757.09	6214.38	6476.86	5288.99
Tyr-Ile-Lys-Lys	206904.22	200430.95	167181.35	202293.5	202964.66	217116.45	207449.65	215143.15	224976.48	245894.64	205866.19	161534.49	149472.78	164137.31	155387.5	164458.2	168534.02	174619.59	178665.68	218787.76	137744.29	162021.55	197848.27	199095.29	181788.51
His-Asn-Ile	133132.27	121827.14	123350.43	124493.11	130779.91	129627.32	170533.57	121646.77	108986.8	112900.32	91862.27	94716.69	93890.26	105876.66	103095.77	100697.54	97178.33	120017.17	106039.89	103739.0	93919.9	93283.95	101255.63	98309.4	113068.97
Gly-Arg-Ser	31577.6	30524.89	31007.09	32779.32	31955.8	34563.84	55583.66	34100.94	30693.17	29511.47	31883.46	31010.25	32430.59	34651.61	33143.98	35315.6	35276.02	61388.5	35427.13	35503.93	36589.4	39729.75	37960.28	36903.72	36774.22
Gly-Lys-Thr-Ser-Glu	2839.9	3055.71	2643.41	2927.87	2002.86	4055.94	3004.06	3283.59	4063.54	4690.04	3487.31	2637.82	1968.34	3330.12	2788.23	2592.61	856.81	1909.13	3113.41	3838.1	2533.88	4063.25	3883.07	3251.06	3652.28
Asn-Lys-Phe	4113.19	3875.96	4016.31	4417.03	3879.27	3891.47	7009.94	4394.48	4270.6	4558.78	4443.26	4976.21	4553.78	4335.44	4700.14	4584.04	4398.17	8894.73	5129.99	5110.79	4565.27	4940.56	4344.31	5578.17	4905.94
Glu-Tyr-Ile-Glu	12943.69	6668.39	6033.7	7164.66	7191.66	12132.48	7892.23	3285.15	5730.27	7776.35	3829.82	2201.44	4531.19	2410.88	2306.14	1776.7	2236.15	4216.03	3152.29	2685.03	613.74	2932.21	4041.86	1282.72	1951.79
Glu-Gly-Lys-Tyr-Glu	2755.46	3461.16	3333.82	3162.05	3481.93	4046.91	3161.93	3726.78	4381.05	4824.36	4383.1	2424.7	2480.5	1789.89	3157.56	3362.52	3353.38	3125.04	3448.95	3802.38	2290.68	2863.76	3493.2	3426.16	2443.33
Thr-Thr-Arg	31068.85	31406.84	30756.26	32960.82	29055.56	33343.11	51846.87	32020.87	31109.8	31605.99	32579.8	31766.35	31022.45	33250.57	31347.35	33150.88	36394.31	57917.34	35402.12	36006.04	36621.56	38105.45	35394.3	35974.92	34305.96
Antanapeptin C	8975.71	9892.12	5775.84	10281.26	11669.05	10524.31	10782.78	11757.75	12312.78	14659.69	12290.29	7905.19	7957.48	7793.86	7087.95	6016.9	7718.48	8652.13	7452.62	12759.65	5925.1	7413.51	11804.65	9085.88	8130.64
Tris(2-butoxyethyl) phosphate	6221.95	5087.58	5383.95	5065.05	5404.95	7189.63	7299.62	5203.93	5725.27	4059.64	4307.41	4228.06	3831.82	4477.08	4007.5	5307.86	4330.62	6230.18	4007.1	4356.48	3318.34	4932.35	8944.17	3018.2	5027.37
Ser-Cys-Arg	15012.67	14666.77	14082.79	14291.3	14360.24	18619.22	21525.02	15476.57	18373.91	18594.28	19175.29	15933.86	12752.05	13119.45	13313.25	14478.6	14132.19	20907.29	12898.71	18060.94	13613.62	14475.81	15913.59	14246.86	13197.81
Phe-Pro-Lys	25592.88	24528.84	27307.13	32159.9	25176.94	33160.59	45300.37	27275.36	26258.94	27206.84	26936.12	26246.52	25709.8	27033.59	26686.06	29472.44	34462.39	46461.13	27234.03	28480.04	29250.33	35110.01	27926.38	33403.14	27282.5
Trp-Asp-Ile	3873.47	8907.27	6202.15	3904.96	6740.08	8162.82	9510.41	14706.42	8658.3	8956.6	6318.65	5701.47	2940.6	4925.73	7521.46	5656.37	7581.95	6616.86	9664.35	6141.49	8164.65	5639.16	4373.31	6498.53	3407.82
His-Arg-Asn	45130.09	44995.72	52358.13	40239.84	52119.11	37062.46	62621.21	38532.11	40232.49	38608.59	30768.22	52220.67	44454.32	60273.63	51548.06	45886.86	43554.61	57736.59	60698.58	41902.52	50896.5	49981.02	46969.87	49514.56	66019.31
His-Asn-Lys-Arg	6487.75	5921.91	6169.46	5644.94	6447.45	6375.91	9067.25	6128.69	6612.75	6895.39	6710.45	6886.21	5692.11	5919.38	5971.83	7129.13	6483.34	10630.27	11692.28	5812.62	6656.33	6886.64	6934.97	7413.53	6496.77
His-Lys-Gln-Lys	1925.29	1976.09	1902.24	2177.17	1682.11	2317.7	2727.17	3807.51	2706.82	2830.53	2071.98	1290.32	788.62	847.82	1856.87	1846.28	2481.18	2097.88	1830.02	2000.19	485.27	2166.97	1626.14	2182.37	827.16
Buprofezin	4789.73	4443.08	4600.95	4983.1	4727.66	6037.1	7343.6	4984.18	5597.53	5460.07	5907.43	4795.92	4697.09	4473.56	4617.53	4846.04	5439.42	6874.08	5113.74	5352.74	5017.19	5110.8	6043.59	5287.09	4561.53
Phe-Asn-Leu	22535.72	20667.58	21462.58	23165.26	25274.76	31726.12	28604.06	27455.95	26778.26	30097.84	30073.49	21363.95	19588.42	20458.78	20874.66	24348.29	21991.7	31242.01	22552.43	28837.25	21572.75	23314.19	30003.19	22311.2	22858.37
His-Leu-Val-Leu-Arg	11189.73	10981.1	11217.94	11154.03	11090.48	11939.99	17906.95	12317.56	12335.31	11986.06	11099.77	11377.17	11024.06	13017.05	11851.99	12053.77	11159.19	19686.64	11376.42	11823.7	10834.24	11021.58	12279.38	12898.23	10993.77
Tyr-Pro-Gln	1580.35	1915.34	1315.89	1456.34	1176.73	2696.13	2762.53	2591.83	2001.12	2569.77	2044.68	1483.01	1563.68	1594.73	2204.78	1929.41	1183.3	2618.93	1727.19	2401.4	1460.59	1816.64	2373.51	431.22	1462.11
Pro-Glu-Lys	11982.63	9854.29	8399.65	10372.95	11066.25	10868.08	7587.72	7558.29	9157.73	7713.62	8086.27	6373.92	6608.79	7946.98	6523.5	5865.97	3409.06	6425.63	6739.27	6662.57	3350.85	4228.82	7543.5	5704.53	3899.98
Gly-Leu-Arg-Val-Phe	6935.72	8462.2	6264.8	8037.56	6377.55	10604.14	8593.21	9473.92	9514.18	11038.19	11717.52	7187.04	6516.94	6060.76	7057.01	7821.6	4820.71	8262.22	6529.33	7098.23	5907.45	7454.17	10909.55	8519.66	6012.6
Apicidin	4543.56	4879.59	4691.49	6543.81	3563.84	3135.74	9229.01	5871.56	4355.78	3997.54	3737.81	5423.56	4869.21	4453.62	4311.21	3327.0	3862.96	4802.85	4934.43	1944.69	2687.75	2740.76	3037.63	2537.24	4087.96
antimycin A1	217836.25	147103.73	206030.06	197301.76	201115.97	99619.44	155205.71	151303.04	145935.62	169854.98	131790.08	132114.5	96261.89	100502.19	101880.49	122304.46	83189.86	116315.93	12612.4	3089.71	30654.27	33623.87	93590.06	117542.1	104328.25
Ala-Ala-Ala-Arg-Phe	7486.17	6082.04	9545.22	5965.89	8437.75	4370.2	4778.72	4412.42	5162.65	4664.77	3505.04	6078.16	2976.15	3681.08	3454.24	3382.86	3384.08	3651.22	3328.07	2797.5	2558.96	4072.66	2369.62	3588.72	2736.02
Tyr-Arg-Leu-Ile-Val	6109.22	3488.64	6705.22	5868.41	7773.72	7063.94	10998.46	7620.56	6211.94	7022.88	5705.25	6993.9	6045.81	7611.1	7672.85	7549.17	7649.55	12212.37	6982.96	7058.48	9119.78	7837.91	6936.72	9668.91	7431.12
Met-Asn-Asp	8067.5	7055.74	4891.63	6676.33	7447.09	13054.51	8166.42	5801.87	9834.33	6945.07	7384.12	3282.4	7553.35	3324.25	5880.2	2907.14	2334.95	3602.13	2584.13	6089.94	3403.44	4250.67	4039.31	4184.53	3481.91
Lys-Glu-Phe	12631.55	10163.39	11541.06	10421.4	10407.63	9830.73	18939.52	11769.51	9221.29	11307.67	11423.79	10842.41	10481.14	11799.54	11086.78	12319.2	12744.5	19800.13	12278.59	11092.08	12309.77	11796.04	13873.29	13504.71	12321.94
Diisooctyl phthalate	35122.48	31858.86	24314.39	33727.49	38230.25	26356.6	29351.72	20220.56	27808.24	29602.87	23840.11	24493.12	21165.78	20103.69	18616.7	18062.55	15674.21	23462.16	15176.47	16154.84	16140.6	18733.47	14868.63	15868.97	10951.05
Gln-Tyr-Gln	1568.44	1974.45	2342.37	1744.0	1626.49	2806.87	1985.71	1582.14	2359.21	2878.41	1752.39	979.03	2440.27	1681.48	1421.6	1460.36	2133.9	1527.4	974.32	1760.53	2971.24	1716.31	1429.47	3275.93	748.82
"5-[3-[4-(6,8-Dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl]-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol"	5688.07	5098.6	4225.17	5892.26	5197.71	7115.42	5111.22	5954.94	7274.83	8938.15	8093.82	6309.03	3858.26	4861.7	4919.38	6084.3	5895.21	2688.35	5590.46	8223.02	3040.13	5676.61	6559.49	5741.74	5099.63
Fenazaquin	40390.26	41651.59	38950.54	42786.88	39945.05	52842.73	46704.39	55951.5	49717.5	65260.82	55859.78	38676.92	48373.86	37867.93	44350.11	50392.99	48262.8	47523.89	51303.91	57359.11	40501.43	45075.88	57897.21	51349.74	46987.18
Arg-Thr-Ser	22328.99	20814.13	21510.8	20489.0	21972.03	24144.55	40655.65	22664.38	21875.99	21652.23	23487.33	23983.83	24224.87	24274.91	23937.01	26471.66	25387.92	43837.27	25286.49	26549.18	27637.51	27107.81	26022.22	27184.97	26332.68
Arg-Thr-Ile	15190.04	14918.43	15213.46	12144.37	11300.19	13554.52	18073.32	12686.51	15013.56	11731.54	13454.31	13147.32	12059.29	13679.33	15882.44	14791.16	15097.76	17401.06	13813.31	13708.76	13822.0	16843.84	19146.82	14002.4	14052.26
"(Z)-7-[(2R)-3-hydroxy-2-[(E,4R)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid"	7517.03	6103.65	6742.19	6966.58	6032.89	6444.05	6675.48	7328.66	6963.45	7011.24	6277.19	5299.34	4034.35	5618.26	5116.04	4435.42	5156.35	5647.95	6230.65	6068.86	4818.68	4981.51	6294.13	4727.64	4859.9
Gly-Val-Val-Glu-Ile	327009.64	271254.87	262736.24	238943.04	252221.65	335164.24	304125.42	307615.29	176555.48	212180.33	207833.0	188834.1	194185.88	164291.71	199254.87	152470.88	163776.05	131878.09	127691.28	138240.14	96005.7	158749.79	100184.34	123125.94	152880.17
1-O-Hexadecyl-2-arachidonoyl-sn-glycero-3-phosphocholine	2569.25	2883.37	2292.59	3902.26	5078.05	3025.93	1622.13	4847.29	5356.11	1893.3	666.3	1683.86	492.11	1134.36	1347.29	743.14	1086.79	1669.41	1473.2	1295.31	1197.38	807.68	583.9	349.75	897.67
"(2S)-3-hydroxypropane-1,2-diyl didecanoate"	4782.96	3163.59	2649.05	3444.93	2821.1	3985.75	2149.15	1998.78	1858.36	1939.81	1767.17	830.84	1608.15	1706.3	1437.91	1321.85	1458.25	1578.18	1322.06	1264.15	2678.79	2077.77	1077.15	2045.33	937.68
"Podocarpa-8,11,13-trien-16-oic acid, 12-hydroxy-"	11275.29	10595.52	12093.14	11425.45	9864.24	11421.36	16381.48	11708.61	9541.56	11989.89	11045.95	11927.83	10456.67	13001.95	11287.39	11976.89	12303.87	18904.19	13335.41	13276.05	12807.1	12631.3	14012.45	13349.38	13433.77
Hoiamide C	16964.41	4762.47	10525.99	18259.65	20389.81	16311.32	32719.29	27564.73	32952.64	60158.77	48350.9	51129.66	50481.59	52193.75	15651.88	30561.41	81105.09	52288.58	16304.54	34103.65	37818.74	18653.01	32770.09	24311.11	9631.51
Lys-Gln-Phe	6153.97	5483.98	6278.15	6227.42	6054.18	5999.05	10116.12	6431.02	6199.09	6096.54	6198.47	6261.41	5737.27	6777.25	6110.37	6504.6	6155.89	11916.67	6831.98	6835.19	7199.8	7315.65	6773.53	7177.64	7746.8
Tyr-Phe-Thr-Lys	3912.45	9251.75	4769.84	4742.2	9181.43	3389.1	3388.53	3518.14	6920.93	3795.67	5550.32	3207.36	4172.47	4471.16	2863.07	3964.21	4914.92	4350.79	3746.27	2404.87	3756.56	4227.25	5244.15	2941.29	3270.1
Pro-Ser-Tyr	3922.11	3543.49	3402.99	3377.59	4147.61	4712.66	5124.28	3893.47	4545.54	4343.61	4398.0	3146.85	4159.6	3196.9	2885.12	3338.44	3687.02	4337.46	4199.94	2475.81	3674.48	3344.25	3894.78	3733.86	2969.83
Tyr-Ser-Asn-Arg	3159.79	2916.15	2144.36	3643.83	3394.65	2716.49	2713.96	2870.35	3301.62	2775.52	2541.53	2398.87	1944.74	2345.99	2622.07	1786.49	2917.37	3304.02	3457.51	2071.67	792.95	3832.61	1595.8	2626.46	3058.5
Trp-Lys-Arg	1858.6	1828.72	1951.86	2598.52	1944.22	804.59	1743.25	2177.93	1666.67	3397.27	2656.9	4847.03	4267.57	3943.8	1143.75	3307.48	5252.07	6857.59	4821.97	6542.19	3023.23	2208.3	5504.33	5026.26	5270.99
Tyr-Ser-Val-Glu	12973.46	13384.06	12297.51	13263.37	13314.76	18071.33	15411.89	15089.51	17481.7	19370.36	17347.5	14857.26	12043.54	11627.59	11374.88	13430.1	14502.41	16409.92	12098.96	15732.59	11194.27	12893.52	17012.55	14165.1	11274.44
Arachidonoyl m-Nitroaniline	6065.7	7423.08	4889.04	5948.94	5054.65	5222.92	7504.93	5336.12	5251.66	4916.64	5095.38	4385.13	5060.57	5485.27	4192.15	4756.54	4839.78	8358.72	4028.97	5413.53	4985.51	3908.12	4227.34	3851.26	3837.47
His-Asn-Gln	6735.14	6751.36	6089.54	6513.93	6252.04	11352.85	9076.29	7213.43	9396.55	8261.06	7497.79	6373.29	6539.68	6506.66	6216.54	6704.37	6752.83	9498.21	6493.43	7083.15	5988.86	6074.42	6525.59	6543.07	6401.76
Bufogenin	32621.48	34074.53	33636.96	33303.98	31366.49	33988.46	55278.6	34039.36	35324.48	33131.49	32697.05	32111.83	35033.99	34137.28	33585.19	31443.95	32743.18	56203.31	32705.86	31671.3	31663.81	32488.42	31663.76	32474.42	29785.38
"2-Azaniumylethyl 2,3-di(tetradecanoyloxy)propyl phosphate"	165383.88	174814.57	160478.09	190505.01	171282.23	211123.39	188875.28	205407.52	211525.56	241433.34	196950.78	168287.59	167842.36	149663.67	161735.71	155781.03	170351.46	168777.55	162841.63	200284.63	148724.42	184624.64	179123.78	179175.04	172668.67
Thr-Lys-Gln	6181.0	10798.65	7339.36	6029.92	6335.82	10400.03	11498.32	11440.42	10163.2	9087.46	7322.46	5364.37	4942.78	4202.84	6955.11	9926.79	7333.27	9191.98	9170.59	8843.8	7461.17	6049.1	5483.88	8350.59	5621.88
His-His-Asn	6267.24	3913.91	6281.76	6093.82	5795.65	5583.09	8170.78	6481.21	3807.29	6684.92	5803.51	6100.23	5323.68	6110.52	5220.41	7213.75	6424.48	7286.36	4491.85	5290.71	5889.45	6507.15	5945.56	5348.23	6093.7
Trp-Arg-Asp	10298.43	9803.69	10508.07	8278.35	11173.47	8540.33	6410.22	9130.37	7324.66	7200.3	10285.55	9189.77	9427.39	8608.65	10959.85	12005.29	14708.86	11737.25	9301.15	7846.54	4820.61	14901.91	6704.75	13664.29	12552.75
Gly-Arg-Arg-Val-His	3866.5	3433.04	3117.43	3758.4	3875.33	2657.43	3015.48	3635.33	3447.14	3268.82	805.44	3084.81	1127.21	1292.47	1738.69	2094.02	2585.09	2524.43	2422.21	1760.83	2750.34	4450.66	2791.32	2728.77	2721.48
1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine	35226.35	55301.13	102333.71	83756.31	127866.73	112449.84	98005.34	183876.65	81917.08	71427.68	456202.79	241802.8	467412.84	126429.28	347588.71	392970.48	460057.52	567061.97	534304.42	296691.11	42175.9	297664.37	306705.9	345769.33	498721.33
Val-Gly-His	5714.34	6395.5	6566.96	5958.73	6294.95	6093.79	7477.33	7351.49	6734.21	7601.72	5315.99	7735.79	7676.13	7412.79	8046.85	8160.46	8000.4	5768.86	8946.19	7704.04	8696.45	8613.46	7865.28	6776.34	7596.98
Mefenacet	7309.38	7847.47	7465.74	8227.25	7289.07	9593.32	7988.57	8969.9	8825.34	11820.49	9896.98	6040.49	6561.29	5810.65	7158.37	7653.78	8479.16	7801.91	6441.81	9079.48	5933.65	7580.6	7825.37	8464.89	6511.25
Arg-Ser-Met	8696.44	7809.45	8104.26	6881.16	4898.62	6139.88	7095.13	1599.17	7028.1	5478.1	3901.93	6702.27	6313.08	4682.31	3059.89	4974.34	4071.12	4587.53	4877.11	5758.17	6393.52	6290.5	4472.88	5337.37	2865.8
Tyr-Val-Lys-Ala-Leu	13890.81	13657.11	13084.05	11827.46	12175.85	11848.19	6384.85	9613.23	11006.02	10385.64	9636.63	9360.98	8075.72	9256.63	8941.3	9304.84	9251.54	20040.81	9153.61	9117.53	10555.93	9489.44	8899.52	9452.93	10120.91
[(E)-4-Methyl-5-Oxidanyl-Pent-3-Enyl]-Phosphonooxy-Phosphinic Acid	5055.38	6914.68	4745.5	6247.27	5060.26	7794.17	3666.05	4083.64	5718.85	5738.5	5506.74	4926.63	3422.5	1531.64	3046.71	4783.75	4709.74	2899.3	4243.35	5311.58	5114.69	2825.05	5231.63	4857.86	4755.25
Ala-Pro-Trp	12030.24	12327.32	12507.14	12568.02	12054.55	12342.15	21403.55	13907.79	13617.88	13998.61	12911.42	12768.56	12590.22	13737.5	11933.69	13609.46	14291.78	23227.25	13613.99	14026.3	16045.49	13404.46	15309.09	15643.76	13649.29
Arg-Gln-Ala	3415.16	2717.22	2256.86	2642.16	3099.01	2764.12	2464.2	2200.52	2626.76	2186.51	2122.76	2620.64	1908.77	3292.35	2497.36	2691.87	1406.8	1838.75	2242.32	2615.12	1660.29	2626.89	1960.67	2040.93	1500.66
Tyr-Pro-Glu	2706.86	416.33	2374.34	1804.89	2814.56	3902.65	4578.2	3754.37	1677.34	6028.81	3092.58	1397.22	549.48	11390.94	3308.35	9894.87	8881.36	7096.55	2654.38	2559.13	4666.93	1262.49	1850.4	9190.46	1690.07
N-(6-aminohexyl)-1-chloro-naphthalene-5-sulfonamide	10079.41	10956.25	11811.15	10597.87	10128.7	10324.79	8566.3	9795.53	10058.34	10484.65	9949.3	9421.35	11274.24	10903.06	10720.97	9565.33	10976.99	7599.48	8802.39	8566.08	9290.48	9469.55	9998.71	9966.67	8331.85
Antanapeptin A	17367.41	12034.19	17737.78	12389.42	11175.16	15210.17	32327.23	18608.26	28326.54	18972.35	17215.87	17619.3	16185.7	17051.2	17584.5	17013.5	22100.07	32584.25	6744.08	14277.88	9859.7	16139.36	13804.75	21447.34	15362.2
4-Oxo-2-nonenal	1187.02	1455.31	1290.26	1348.89	1787.87	831.48	997.04	537.18	458.55	665.11	1179.14	1580.42	1232.02	1226.79	647.8	1115.8	434.2	1269.81	1350.36	1385.09	1234.08	1815.39	2784.77	1665.71	856.76
Arg-Phe-Arg	3043.68	3639.0	4524.13	4019.24	2996.85	5319.8	8506.54	6007.35	2955.8	4688.87	7505.27	7627.5	8168.25	7852.62	8462.1	8410.97	8194.54	13553.63	8465.92	9143.02	9948.76	9621.78	9091.22	10884.23	10813.37
Pro-Gly-Val	2034.81	2922.16	1442.45	494.25	1050.3	878.62	413.32	647.22	1840.33	1570.67	942.53	878.37	1729.73	1649.58	1562.25	918.07	1937.74	415.52	2955.99	2225.57	2579.81	2443.26	2104.22	2612.77	7291.24
Dihydrogambogic acid	7345.98	7922.82	7425.83	9250.99	8333.04	6972.72	7345.92	8430.28	7294.19	8102.8	8341.4	5824.85	5210.89	5444.47	7205.32	7748.07	8150.92	6246.07	5905.59	7396.4	3829.66	9185.43	6976.18	5290.55	6651.88
CerP(d18:1/12:0)	64329.86	61486.24	57109.67	72210.35	46826.24	64291.04	52445.9	61542.57	64347.17	78626.69	87329.47	43871.07	46812.59	48192.55	53353.29	59620.71	48524.75	60392.33	58246.32	80483.18	37381.96	48534.99	71916.65	64955.64	44484.3
N-Desmethyl tapentadol	4286.7	4172.55	3869.12	4089.48	3819.72	4295.45	6343.0	3823.01	4030.64	4128.64	4259.24	4116.48	3866.53	4420.47	3811.57	3866.37	4417.04	7003.73	3862.89	4377.71	4651.34	4351.42	4147.31	4144.13	4122.48
His-Ile-Lys-Arg	2310.24	2880.36	2068.32	2104.63	1723.48	1079.94	3942.18	4621.58	2881.37	2980.03	4061.86	7026.85	6597.92	6655.18	5830.83	5917.19	4077.39	10867.73	5867.53	3737.82	5467.27	6470.86	6170.1	4088.09	5775.67
Arg-Tyr-Met	3339.66	2380.99	2196.76	2062.84	4411.14	1582.01	1956.21	876.26	1687.49	1534.22	1963.55	2467.99	1365.33	3034.11	625.63	934.82	1645.94	2384.89	2724.82	2075.33	4309.72	5660.95	4154.68	3437.74	3893.95
"7-(2-(2-(Dimethylamino)ethoxy)ethoxy)-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine"	7711.62	9826.62	7752.53	9266.2	7865.0	12105.43	8787.06	9707.15	10971.48	12474.95	10029.7	6979.62	7463.85	5977.46	6575.55	7507.98	8500.76	7349.52	7799.13	9389.51	6325.03	7845.94	10477.01	7799.24	7612.03
Met-Glu-Ser	5276.32	8379.78	11760.4	7382.68	8016.76	14897.61	18405.78	14554.73	8415.7	23067.61	11026.76	5997.79	3168.66	59022.87	14438.57	87403.87	41055.26	17632.31	9559.8	10190.63	22491.88	3914.8	6630.84	46869.78	4501.3
Asp-Pro-Tyr	2098.28	2940.99	3408.6	2313.41	3233.33	4872.37	6840.07	3904.42	2854.29	7248.09	4112.26	1668.31	597.27	22031.73	4977.34	27269.72	11492.09	6399.25	3170.31	3132.3	6212.29	1513.65	2585.96	18764.04	1845.09
Tyr-Ile-Met	6602.1	5662.97	6670.42	6755.91	7150.47	3823.34	4626.55	4775.87	4805.75	4924.78	5398.55	6601.2	5991.27	6720.48	5316.35	5171.84	6412.25	5889.9	5634.38	5350.69	5414.48	6536.06	4964.61	5654.16	6906.59
Glu-Gln-Arg-Arg	6313.23	6748.0	6775.18	5775.85	7934.87	5576.53	3795.71	5563.48	5087.3	5658.36	4561.21	5658.64	6120.38	5165.89	7448.39	7290.27	7025.82	7287.42	5069.4	5730.56	2662.21	10874.1	3769.87	10468.55	7294.18
Lys-Phe-Thr	2270.76	1615.09	2729.37	1632.86	1364.96	2240.29	3658.98	3501.6	2194.17	3563.71	2247.7	2334.1	2557.62	1317.26	1863.74	1645.58	3399.26	3884.76	1800.73	2391.28	3946.45	3587.42	3579.78	4623.49	2802.82
Gly-Lys-Lys-Gln-Leu	17831.12	19588.04	15542.78	23151.75	20593.64	22401.35	28510.48	22018.38	22848.96	20036.34	35328.2	17267.46	32134.83	26389.53	31653.52	29979.42	30531.93	54386.93	30775.69	30044.94	29344.67	32693.45	37684.53	34550.61	37547.94
Tyr-Pro-Trp	697.3	2783.59	5448.76	555.83	610.63	4502.29	7283.32	4576.45	1752.12	6007.64	7856.28	2268.57	465.92	19659.03	4567.41	22494.27	17455.35	10957.8	3412.18	5052.92	6676.06	452.38	2691.44	15121.49	1605.66
Asp-Glu-Phe	4393.28	6257.59	8351.25	5486.05	6730.3	12039.98	13592.96	11914.96	6761.66	13943.8	10822.77	4584.39	453.78	48162.45	8813.42	70068.47	35189.93	19173.13	9329.5	7646.67	14774.54	3683.81	4738.05	40929.57	2274.91
Dioonflavone	13861.37	14097.26	17502.39	18968.49	19084.25	22913.24	19535.96	18970.32	21266.51	18799.05	19260.66	22555.39	17853.71	16214.56	17767.37	30397.58	18458.78	18773.37	14724.99	19434.18	15742.0	21740.44	16986.16	15536.92	21795.6
Val-Arg-Val	4728.6	2234.12	4484.98	4978.73	4162.95	6495.95	5095.77	4207.65	4398.34	5515.96	5347.18	3989.76	11435.66	5345.33	9356.35	4708.25	5714.57	7258.67	5443.9	5663.95	9187.69	5842.52	6370.36	6877.96	5590.73
Gln-Val-Leu-Arg	6400.38	7313.15	10348.92	9846.38	9584.52	9853.16	14511.79	9507.92	11037.53	10077.18	10904.4	13528.39	12795.42	11951.04	13631.87	14170.34	12640.98	23896.8	14894.36	16861.04	15903.56	14689.2	15568.82	16264.78	15047.1
Thr-Glu-Met	380.27	431.3	819.4	577.66	814.91	1514.87	1770.81	567.46	563.63	1996.39	766.52	833.92	22197.6	6356.0	1773.23	7181.13	3425.25	1670.82	1241.79	616.54	2083.15	409.41	844.37	5514.44	535.16
"1,2-Dipalmitoleoyl-sn-glycero-3-phosphocholine"	10542.25	12394.56	10404.67	12753.91	11022.04	16404.85	12417.61	15728.16	16432.65	18305.57	15343.36	10903.01	10501.68	9221.64	10250.85	10250.98	11959.19	10492.25	11280.74	15310.75	9032.77	11767.64	13470.9	13118.07	10741.06
Gly-Asp-Phe	6199.79	6772.81	5677.21	5459.37	6115.38	4799.65	4700.35	5842.07	5080.18	5375.95	5319.44	4575.43	4357.08	4902.15	4849.6	3710.24	4983.43	4177.66	6210.15	5933.54	5695.42	5399.14	4697.02	4253.02	7313.95
Cys-Pro-Lys	28442.36	24709.23	18175.61	18863.54	21487.8	9070.56	13837.12	22967.59	8912.48	22843.21	17324.52	13293.51	3822.44	12159.09	16965.79	12154.06	17095.44	15700.81	23920.72	20587.63	18092.99	18993.32	14889.37	21003.87	46426.09
Asp-Glu-Lys	13170.62	22919.05	18544.91	13843.89	15293.44	24375.55	27049.99	24127.39	23538.23	20037.45	14878.56	14692.08	10405.03	12566.31	17817.29	16568.99	18106.66	22431.02	22536.96	24738.63	17555.5	13689.54	13822.36	18670.16	14529.67
Tyr-Leu-Ala-Lys	9360.72	10404.85	9517.24	11784.56	2305.55	13471.46	10433.87	13745.69	12971.06	14900.24	16593.67	10912.87	8223.92	8635.21	8283.92	8754.4	9619.12	11701.65	2151.75	7214.83	7831.9	5032.86	11251.73	5895.9	4287.6
Glu-Lys-His-Cys-Arg	6072.51	5533.43	4996.04	6624.58	7092.89	4546.22	5667.26	4474.98	3675.61	1593.99	3759.88	3734.9	3282.72	1733.47	2451.92	2026.17	1781.06	3575.85	2528.39	2050.4	1676.33	3142.94	2320.32	2883.83	3535.08
Ser-Glu-Asn	2909.23	2863.03	2678.99	3314.96	3262.03	3170.12	2839.06	2992.72	3805.04	3108.2	2158.74	2763.08	3626.17	2682.48	2228.65	3073.03	2698.96	2301.55	2955.38	3175.1	2951.82	3727.7	3231.97	3231.19	3299.65
Deoxodeoxydihydrogedunin	3673.46	6973.85	6670.12	6106.33	7011.0	13669.6	3726.96	4661.2	9014.35	11116.0	11728.75	8683.05	8646.3	8121.26	2953.08	5940.1	7532.75	5834.88	6247.97	11147.12	6622.64	4018.2	6758.23	6484.73	6843.61
Met-Lys-Lys	5888.17	6458.04	4994.3	6235.57	5911.77	7735.11	6771.03	7900.36	8783.14	10607.96	8557.98	5734.53	5148.95	4923.7	4834.26	6288.86	7097.05	6269.25	5120.9	7926.62	4499.61	7286.9	7231.22	5757.79	5374.49
Leu-Thr	2250.42	2346.46	2087.42	3043.46	2442.17	1882.1	2793.37	3750.74	2861.24	2062.03	2260.96	2736.64	2580.83	1403.51	1089.94	2206.45	3579.22	2296.72	2393.37	3096.55	2303.17	3574.41	3150.12	2698.48	2629.93
2-Cyclohexyl-N-(1-isopropylpiperidin-4-yl)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazolin-4-amine	41774.35	41148.71	40029.33	41624.76	42528.14	40149.79	66819.7	42105.06	42745.95	41185.02	40525.84	42353.58	42335.27	39649.53	40645.8	41420.77	40325.48	63999.35	39555.83	40244.31	41152.34	40062.02	39719.99	40026.39	38518.72
Biotin-X-NHS	10329.36	8782.4	10579.65	12551.52	10847.56	10546.49	16922.61	10678.47	12192.92	11121.12	10043.64	12324.24	10589.21	10722.06	9313.55	12519.37	9918.06	13878.58	10373.85	10476.62	10231.98	9523.47	9831.95	10060.85	9771.38
scytophycin C	9715.36	11089.13	9170.82	10859.12	9823.82	13445.92	11955.45	12442.39	15470.43	16354.77	14774.74	9833.19	8170.05	7701.92	9757.51	8981.47	10383.33	10543.21	9146.72	8063.57	7912.4	9810.76	11825.76	10249.69	8364.17
Arg-Pro-Gly	39399.1	39940.42	34174.72	41780.06	41673.96	45033.76	50736.59	52498.64	42344.82	54523.62	47661.51	38899.58	34086.27	33428.81	38844.52	39526.18	42189.7	47858.93	39468.04	44688.6	33594.91	43537.71	43216.5	42956.23	35842.91
Gln-Leu-Asn-Arg	3363.47	1801.38	2314.64	2489.52	2465.92	2886.5	4237.97	2757.04	2009.76	1914.81	3666.51	2349.86	1485.82	1364.6	1305.37	1898.01	1287.98	2855.63	2112.4	2295.27	2042.65	2470.86	3210.26	1057.54	3557.22
2-Aminoadenosine	307437.21	289702.42	261433.05	302176.02	306621.43	367500.4	296755.46	336796.86	345429.51	330498.9	331364.95	360993.73	409457.06	325718.66	446054.46	437615.92	352584.36	248227.25	274847.92	358092.11	259082.76	385829.6	312870.11	352924.31	453115.07
Arg-Arg-Leu	7958.06	6524.22	5757.71	7320.91	9716.24	7838.07	7105.94	2835.06	8222.24	9139.22	8528.15	6166.35	7433.93	5955.73	6393.65	9541.56	5721.59	11432.37	6488.9	8438.05	5200.66	2780.22	7522.87	2910.68	6488.21
Val-Pro-Val	27100.76	29348.74	24667.84	26722.56	27433.12	26612.79	24673.2	26382.03	20304.18	26411.51	26156.47	22921.87	26774.91	25603.3	25535.37	24900.32	26899.53	25474.56	25353.92	23790.28	26358.27	27260.44	28107.91	26697.53	28101.93
Tyr-Cys	6682.6	6875.88	7444.55	6846.17	6575.79	6292.73	10537.04	6137.5	6461.35	5174.57	5552.64	6270.09	6490.53	3850.28	6039.49	6239.97	6864.78	10112.67	6118.78	6728.9	8040.28	6474.37	7062.47	8166.6	5747.92
Cys-Pro-Ile	583.73	540.87	1280.69	1314.1	808.91	1048.34	786.79	905.83	2183.14	1221.65	1800.77	1030.7	862.42	1165.63	1274.93	932.27	735.69	1079.94	867.66	690.66	1520.15	1143.63	5053.51	921.84	386.08
S-4-Hydroxymephenytoin	5041.8	4805.62	9476.06	5809.05	5136.53	5578.68	8609.7	5447.86	25095.71	4969.25	4929.98	12521.29	4784.75	5568.16	4695.95	5612.03	3737.91	8033.61	4853.31	3964.51	5410.93	3931.32	5181.19	4709.1	4449.34
Ala-Tyr-Lys	2936.08	1759.51	884.93	3501.18	2001.04	3587.34	3644.39	2611.73	3767.46	4830.83	2594.53	3833.75	2841.91	5631.14	4452.83	3061.44	2518.35	6924.74	5409.65	2682.08	583.09	4451.36	4208.07	2897.01	2566.63
Gln-Val-Leu-Leu-Gly	22711.78	27437.68	24483.5	28984.21	27369.73	25591.6	27893.17	26948.5	34778.67	34074.76	44876.64	45535.43	45913.93	44003.63	45686.68	50070.33	42573.46	75011.21	50170.7	46806.12	53841.87	37793.77	54703.76	39687.79	51852.44
Cediranib	1859.67	856.74	1110.1	1997.02	3165.64	2333.11	6937.57	2579.26	1697.06	3142.64	4803.46	2629.17	4443.92	4803.67	3698.2	2747.83	3326.31	1780.0	5421.68	4227.43	4511.88	3471.14	1943.23	4295.79	1944.46
tetrahydrozoline	2511.15	2661.01	2269.33	1620.4	2249.54	5121.38	8809.35	3991.2	3423.41	3799.17	2814.2	3256.51	3536.95	3060.94	4056.66	4723.11	3543.54	2643.48	3293.19	3218.55	2798.89	4985.95	2542.09	6392.78	7260.39
Thr-Ser-Thr	129882.41	124313.58	130361.3	117866.76	130285.58	134002.44	125614.58	130622.25	129279.5	130281.73	130780.41	132917.99	131488.35	128959.8	135558.25	134923.08	129288.57	136909.88	132093.24	123040.3	133118.13	125525.26	129478.89	129271.62	125761.28
Mebeverine	7333.53	9242.06	9755.85	7852.39	7498.45	7077.29	16487.18	6953.69	9539.56	9560.41	7228.46	8247.57	15331.08	5264.78	9729.29	11283.68	11723.54	14418.13	11589.0	9380.34	11983.21	8814.36	8543.23	10000.28	9866.21
N-Oleoyl-L-Serine	29779.78	31795.16	30130.49	32132.55	18527.8	32641.82	26085.98	7462.69	33332.46	36807.43	31396.63	30857.92	29263.93	29043.93	27230.22	26187.89	26337.73	28225.22	30141.52	26784.84	28152.62	28346.83	29548.03	28918.35	29282.98
Gly-Lys-Val-Lys-Lys	27025.54	31446.26	24680.05	31756.42	26094.67	37680.69	29007.27	35210.34	37756.32	42913.21	35696.03	26462.74	23717.47	21191.36	24275.01	25321.11	27282.42	25560.27	26606.12	35318.7	21604.97	27901.11	34146.7	29182.31	25585.99
Lenacil	3079.96	3181.75	2203.47	969.36	3124.38	951.71	4155.73	2917.34	2675.12	1358.16	2525.76	3211.11	2935.07	3205.84	2542.34	3417.33	2862.83	5685.93	3463.66	3478.98	4074.82	3329.58	3593.86	4108.0	3497.95
His-Thr-Met	13564.07	7840.12	9356.85	11636.33	16534.42	1287.33	7500.84	2536.24	5345.36	4875.43	7483.78	12668.54	7114.42	7907.14	2802.07	2919.42	13003.88	12115.85	10043.07	5705.9	7244.59	15063.94	9681.08	8578.63	8952.81
Aminoguanidine	18373.33	17983.26	18490.13	23107.59	21531.58	19156.96	7949.11	21177.48	18881.12	27815.91	15713.25	12642.1	18126.95	19492.18	17133.2	7695.06	17684.4	4157.94	20632.36	18419.18	19575.37	16353.6	25927.68	18577.86	18694.91
Acetamiprid	305.27	428.37	226.56	258.37	510.19	576.54	1628.32	1625.91	975.06	390.86	1243.2	495.3	262.99	5695.39	1199.36	9236.33	2477.82	2057.61	703.94	684.13	365.29	507.29	331.23	2600.2	441.49
Nimustine	27535.5	27542.85	28335.35	27912.18	26971.96	25798.96	24664.33	26568.44	25554.29	28108.39	24864.46	26434.18	24067.04	26677.25	26773.28	26391.16	26697.02	27278.42	26896.5	25872.81	27925.3	27245.55	26971.01	25903.21	27154.85
Lys-Ile-Trp	18833.03	20280.18	19276.5	19114.23	19134.46	18182.52	28036.09	24106.4	20133.71	20391.2	26286.88	26798.17	27364.67	25469.61	27532.73	29551.11	31101.79	46627.24	31742.44	29728.92	31707.21	34561.03	31554.6	30139.44	32543.68
Arg-Pro-Asp	16450.53	24856.82	15420.39	16235.16	16480.0	22457.51	17547.2	16084.81	21836.13	22160.56	23908.7	16384.14	23507.04	18077.07	19008.72	17573.77	20190.3	17117.81	16778.09	19459.42	15311.86	15230.36	15985.67	17325.13	17092.39
1-(2-Cyclohexylethyl)-3-(2-methoxyphenylacetyl)indole	7055.46	7685.6	4592.05	7518.66	6689.3	8808.04	7699.73	9646.52	8962.54	10527.28	9580.8	6457.23	6452.09	6287.46	5738.94	6324.93	7413.67	8553.41	7061.79	8611.58	5749.92	6623.5	8630.01	8231.8	6172.95
Arg-Arg-Asn	3425.17	3260.8	4348.74	4892.39	3865.72	2960.87	9872.25	5699.77	4843.08	5059.77	7184.95	7413.2	5151.48	4891.84	7084.72	5760.43	718.59	9800.49	8119.13	7673.79	6522.6	6895.99	6689.96	6961.87	4639.31
Arg-Lys-Phe	6495.37	6014.14	5833.51	7529.3	5900.66	9274.38	7746.73	8398.93	8058.07	9987.04	7390.59	6101.73	2056.08	6011.28	5603.38	5675.6	5330.65	5819.05	5323.59	6092.8	4238.45	5702.32	7990.4	6298.43	4201.31
Terbucarb	3835.73	3257.82	4186.69	3536.18	2919.75	3826.39	4605.95	6728.89	4277.44	6663.73	4742.75	5519.27	4602.69	6016.19	4611.57	7169.22	4776.17	4875.16	5676.48	4943.06	5633.76	4672.81	6413.5	5701.55	6237.5
Glu-Cys-Ala	52847.36	53394.9	44813.92	47747.03	50252.93	90873.72	79046.01	86040.55	79963.53	81942.98	59484.92	63778.0	69902.73	56898.43	86062.19	74482.08	66603.48	60357.99	56550.95	74407.19	54529.59	62370.44	43984.04	68219.31	82962.18
meclofenoxate	4031.04	1729.61	2609.61	3260.07	3027.01	6534.6	2851.58	3001.69	4052.94	4458.11	5237.02	735.62	1758.05	1084.49	1245.83	2717.27	2727.59	2143.85	2441.59	4158.89	1375.6	2967.26	2791.03	2873.14	2276.26
Bis(4-cyanophenyl)methanol	2991.99	2915.26	3854.0	3487.93	3317.6	6226.6	2441.06	3018.29	3582.45	6231.62	5243.69	3695.81	2586.38	2341.37	2369.03	2544.28	3252.46	2575.35	3765.06	4015.06	3392.54	2589.91	4384.94	3702.08	1862.85
"1,2-Dipentadecanoyl-sn-glycero-3-phosphocholine"	8710.52	9385.89	7756.33	9944.09	8086.39	12620.33	9300.82	11213.75	12972.34	14334.39	11099.56	7472.62	7545.86	6929.79	7150.9	7057.5	8567.54	8133.83	8422.18	10591.23	6207.83	8772.57	10082.44	8462.81	8057.46
8-iso-PGA1	3148.82	3870.88	2000.92	1697.76	3802.39	2914.14	3095.09	3795.47	1919.74	4198.57	3065.42	928.81	976.99	3413.68	2503.33	4064.62	3144.71	2869.89	2641.91	2203.46	1551.89	2517.64	4474.55	5349.32	2481.06
Trp-Gln-Gln	2048.57	1330.79	1461.14	2607.87	2305.08	9339.37	6663.88	6471.89	6713.08	6455.12	1622.19	5978.46	5790.23	4064.01	7858.37	7398.97	6061.61	4104.06	2373.84	6254.7	4357.09	5593.3	3069.49	7665.44	10672.88
Val-Gln	4066.28	3456.14	4843.34	4026.31	4473.92	4221.95	2832.96	4385.2	4676.16	4093.59	4438.63	3256.79	3329.2	3841.15	4587.69	5091.75	3639.43	3167.8	3942.52	4505.8	4616.61	3969.02	3569.92	5008.36	1238.02
Arg-Ser-Lys	8690.59	8968.98	8360.5	9142.46	8944.9	9191.33	12784.53	9838.29	9900.13	8888.21	7242.64	7952.74	8853.37	7882.35	8450.64	7639.99	8314.16	11670.72	9047.79	7775.04	8131.62	7378.87	7652.13	7618.79	7129.2
"5-(N,N-Hexamethylene)amiloride"	309570.97	332281.13	377184.66	324575.35	368496.58	281609.88	452082.76	321628.1	319480.45	302412.22	288474.96	433580.04	465850.27	523371.96	473428.88	400275.25	397364.36	536344.52	467891.51	349468.64	549054.19	455354.22	399606.06	463354.67	529457.29
"1,2-Dimyristoleoyl-sn-glycero-3-phosphocholine"	10066.62	9232.37	8608.37	9801.35	8994.15	11624.56	6022.45	14550.19	11544.34	15201.49	13690.87	10830.41	10704.43	9366.94	14124.55	10081.56	16923.6	13737.52	11320.64	15917.79	8327.21	11601.06	10648.8	8611.65	6671.93
Cys-Met-Ala	8219.89	7085.29	8834.83	8777.89	8272.91	7777.92	7749.45	7894.38	8040.07	7461.63	7863.31	8289.24	7789.78	8542.05	7565.2	8053.4	7707.29	8022.54	8195.66	7743.7	8331.29	8152.69	8249.72	7847.86	8656.11
Pro-Pro-Ile	6303.64	6299.8	5493.02	6888.28	6967.91	5100.4	4729.2	3573.93	5237.69	4602.24	5658.89	7992.38	6399.79	7190.9	5835.97	4852.16	6620.08	6696.21	7424.43	5429.38	5618.11	7131.03	5312.25	8733.41	10418.3
Gln-Lys-Lys-Leu-Ala	10389.82	11532.08	11254.21	11496.98	10893.6	10588.9	18398.96	10477.51	10474.08	9597.44	11759.57	11375.65	11376.06	8439.37	10925.74	10329.52	10449.32	14924.83	8814.36	9702.47	10271.2	8838.28	10122.45	9827.25	9656.87
N-(dodecanoyl)-sphing-4-enine-1-phosphocholine	2975.72	2079.66	1717.73	2956.35	1301.0	1043.08	486.75	1210.59	2186.54	1003.33	541.07	912.11	808.8	1054.8	647.76	1060.91	1187.95	1087.29	1062.15	1316.62	2155.14	1868.81	1425.01	1195.52	860.36
Pro-Glu-Leu	9118.02	7724.78	7370.48	8401.94	8706.85	5997.54	6735.38	6271.76	9501.36	8418.99	6122.17	6469.73	4618.39	4127.39	6835.86	2090.98	6074.27	5324.73	7507.19	7884.46	5679.08	7396.67	6588.79	5129.39	14557.54
Gln-Val-Ala	1731.43	1436.69	1502.29	1469.77	1663.27	2876.81	623.94	2198.35	1605.36	1677.63	3015.57	3033.33	3866.85	4173.21	3565.55	4442.7	4056.03	3813.67	4148.1	3772.95	3973.56	4224.2	4850.92	3939.94	5342.43
Tyr-Asp-Ser	23406.85	17096.03	18185.24	17205.19	14770.3	9598.79	6769.59	13327.1	15175.19	22549.35	27443.29	24359.01	24806.03	24521.6	21079.41	22877.0	28075.64	22712.81	20204.39	27562.54	30990.03	26700.0	24340.74	31793.16	27706.8
Lys-Lys-Thr	7745.07	8342.85	8135.4	9192.32	8969.95	9862.32	14238.03	8396.19	8419.61	7298.42	9334.82	7917.66	9276.86	7377.31	8067.82	8384.75	6386.23	12922.78	7978.37	7644.33	6879.63	7305.91	7895.33	7900.65	6421.86
Gly-Arg-Thr-Leu-Val	16716.86	16515.69	16613.79	16114.36	16806.65	17354.47	25701.24	18270.56	18351.7	17362.08	17316.66	17746.84	17837.57	17913.4	17869.91	17680.48	17844.71	28037.91	17460.8	17969.04	18371.32	16619.34	8581.79	18813.42	17728.89
Dolastatin 12	17390.32	17755.28	20625.93	17229.62	19925.65	16065.47	25828.02	18405.69	18378.22	21335.98	26904.87	24758.25	22061.41	24206.66	25043.4	28161.7	26363.37	40509.44	25678.81	26006.88	28109.69	27020.93	28039.26	25842.93	30832.34
Amitrole	6350.16	5757.45	7103.6	7822.82	7762.97	14168.22	5909.79	5907.72	6269.35	5193.68	5233.12	4788.32	4021.42	4950.37	4589.64	4619.44	4424.97	5295.48	5387.88	6013.92	6118.23	5433.57	6360.07	4031.69	3966.63
Phe-Pro-Asn	19682.25	17506.53	15418.48	15595.15	22845.2	13222.52	9098.76	17731.21	18979.19	16231.2	11355.11	11999.17	9634.61	9282.02	14611.24	11689.12	12172.8	10271.79	12279.36	15557.83	7710.93	9233.04	9010.18	8280.98	20425.94
1-Stearoyl-2-docosahexanoyl-sn-glycero-3-phosphocholine	17857.76	19593.42	27049.8	22122.78	15466.03	16478.39	14665.81	9900.12	15437.13	17637.61	87722.02	17137.53	15741.66	16275.05	13261.7	12614.66	40324.92	76326.32	76834.01	20051.22	61534.07	19058.72	17794.19	71715.7	24238.23
"1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine"	2931.72	2150.5	1887.19	1617.16	3159.46	1547.85	1363.25	1824.44	1261.3	1062.31	1316.47	1781.38	1151.9	1047.54	2498.62	630.56	2955.04	1817.37	2980.0	1775.25	2420.43	1387.96	2455.82	1631.52	1366.35
Desfesoterodine	40654.15	41673.41	42212.95	43393.97	40409.0	38998.68	60552.93	38959.4	38224.66	40038.45	37910.66	41934.41	42186.2	41976.62	40871.06	38854.23	37349.82	55007.53	36796.08	36722.45	39878.76	36623.39	38214.29	36599.97	36936.56
Ala-Phe-Trp	844.47	2130.88	2757.26	1736.68	2064.07	4476.16	5683.68	3766.07	2969.64	6814.53	3939.42	2848.7	1562.19	18084.07	4826.96	21707.44	12319.26	7166.44	3103.27	1867.2	5699.05	1845.22	1542.18	16338.93	2301.27
His-Lys-Phe	1352.11	2534.41	2309.16	3351.87	2593.41	2113.06	5810.7	3691.8	1570.08	2561.39	3857.7	3613.71	2833.64	5346.06	3637.56	7334.12	4959.95	9525.93	6072.78	6490.11	7849.89	7602.97	8111.26	5569.18	6865.7
Homosalate	2908.05	2917.49	3109.0	2822.97	3106.09	3165.56	3726.02	2447.56	2789.75	2692.03	2189.73	2009.6	1976.6	2367.15	2325.91	2281.36	990.31	2962.6	2544.64	2205.17	2084.75	1966.98	1624.26	2043.42	2324.7
Pro-Phe-Asn	609.55	395.13	530.51	693.38	506.34	1646.92	1842.03	1470.71	611.04	1729.09	1144.14	417.2	498.42	6580.48	672.5	10880.81	7026.53	3709.58	1932.56	834.93	1643.16	551.1	746.05	9531.27	491.44
Tyr-Val-Met	694.41	2107.73	3183.13	2125.62	2104.18	6524.63	5975.63	5085.83	3079.69	5727.18	3859.22	2103.73	591.25	17445.97	4535.51	23615.61	15781.35	7754.99	3630.75	3898.09	5575.51	1712.8	1668.06	12847.51	1602.97
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate	7750.14	54217.19	28305.73	14321.97	6902.85	4711.42	5332.06	7903.04	2625.49	2147.64	1480.04	1127.47	1079.36	154.82	2046.36	5528.17	1267.63	1354.15	1879.09	2027.06	1347.43	2047.25	5931.99	1403.13	3010.45
Asp-Arg-Lys	8664.42	7822.05	5675.92	8643.35	9825.29	3551.64	3738.19	2594.06	9239.04	8500.5	5942.93	5602.06	3001.43	3013.05	5137.27	1511.46	2633.51	4684.1	8681.3	7609.55	6030.76	7406.37	7213.13	3909.46	9111.11
PE-NMe2(18:1(9Z)/18:1(9Z))	429353.47	510006.32	434058.77	529365.47	490559.67	575472.2	508961.63	562852.48	607523.47	699192.35	559398.3	489985.52	478831.39	441997.8	452771.21	441581.59	484923.76	474812.44	475510.66	558833.48	441599.12	519644.62	512334.18	538602.1	511547.32
Glu-Lys-Tyr-Leu-Gly	10883.02	9965.24	11449.97	12632.99	11461.04	1331.51	3963.21	4005.54	12539.25	6581.37	8683.85	7351.98	2544.86	2729.27	5524.96	4105.76	2378.16	5162.15	9910.99	7092.23	3329.41	10754.44	7390.48	3680.95	10586.47
Pro-Met-Lys	10401.62	10926.7	11541.33	9082.29	10427.72	10703.33	15475.63	10502.59	7959.68	9334.09	8507.54	9357.76	9217.78	10011.84	8180.43	13319.51	9808.98	12594.75	10218.71	8913.22	10191.26	11424.72	5261.2	10007.64	7624.82
Arg-Trp-Ile	14347.96	14896.56	13913.54	14007.07	15622.24	14711.08	21685.31	14481.26	15841.76	15092.23	14594.86	15924.04	13755.91	15748.74	14333.99	14530.18	14847.66	24218.32	15579.03	14189.6	6594.91	14235.05	5842.6	13910.65	4216.09
1-beta-D-Galactosylsphingosine	11974.76	12965.43	10281.97	12674.75	11410.19	18069.63	13043.49	13530.42	14889.69	16548.7	16080.15	10611.45	10575.28	8818.6	10523.17	11079.04	11586.49	10764.94	11281.11	14160.71	9245.91	11846.64	14490.33	12067.99	10922.19
Phencyclidine	92469.98	93941.87	96217.61	94845.29	95498.93	99289.04	144551.27	96369.43	91650.55	100276.16	96369.04	99963.91	100523.14	99431.35	97010.95	100789.49	101259.03	147566.72	94318.04	97514.86	99531.71	96517.3	98380.72	95756.96	95396.57
"2-[(4s)-6-(4-Chlorophenyl)-8-Methoxy-1-Methyl-4h-[1,2,4]triazolo[4,3-A][1,4]benzodiazepin-4-Yl]-N-Ethylacetamide"	555.52	553.87	690.69	435.56	1078.47	1383.53	1412.49	814.12	1059.25	2589.62	2070.34	1108.63	297.7	9145.73	649.09	12208.69	10763.6	5999.07	2893.13	857.72	2102.25	344.32	370.32	6730.24	696.1
THOS Streptonigrin	657.04	1694.48	2301.18	578.73	1896.15	3872.77	4399.68	3514.23	1458.31	4820.69	3152.79	891.81	525.46	11872.18	2716.39	12455.84	12313.23	6707.64	2667.64	2242.57	5073.48	783.7	991.19	8509.31	1115.1
Fenarimol	37357.31	36110.37	37902.87	35112.18	43176.1	34029.1	38543.4	36871.02	36791.47	35825.39	36111.5	38412.83	37123.32	36615.73	39293.18	38376.2	38037.15	57687.45	39972.37	38209.92	37329.43	41467.97	38361.03	40395.45	40572.31
Lys-Lys-Phe	10577.45	11462.69	11135.1	11411.2	11123.33	11793.23	18072.03	12225.7	11905.13	10945.49	10409.36	9925.9	9123.22	8918.84	9724.44	9164.5	9218.54	13284.54	9483.27	8755.59	9226.58	8717.19	8380.84	9442.92	9094.62
2-[(4-{2-[(4-Cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid	7280.84	7168.1	5265.44	7431.65	6976.97	14793.09	8229.82	8084.17	7784.17	14839.43	13344.34	4345.66	7819.42	7162.58	7352.41	8892.28	4151.99	12494.41	7243.51	10190.69	7899.91	8001.05	16793.96	8122.26	7993.3
Montelukast sulfoxide	2360.1	2998.99	1569.82	2011.04	1863.46	2719.78	2514.02	3269.78	3204.99	3168.9	4112.86	2668.15	2572.12	7114.91	2678.18	7113.18	6019.68	3742.53	768.5	2585.94	3546.82	1025.44	2283.26	6676.84	3577.05
Cys-Leu-Gln	34486.39	36392.03	37329.72	35438.31	34487.66	34163.37	30251.96	38238.81	33640.87	34534.82	34365.21	36006.92	38318.07	39430.45	38322.68	35982.94	39920.4	32817.27	39055.9	37188.99	39444.58	35445.68	36901.99	37505.18	37234.94
His-Tyr-Cys	16796.42	20141.03	33440.92	18138.28	25904.48	45659.43	57210.88	54118.05	30329.51	68488.04	46996.42	20655.21	4912.81	156738.94	36420.0	178349.3	145026.95	85809.29	44089.28	35049.83	65378.46	14598.64	17240.93	110410.45	8776.71
Isoxaben	5893.71	6490.92	4834.33	8097.19	5667.37	7220.49	4673.44	6838.42	7982.17	8428.3	9586.06	6038.41	3861.66	4673.29	3428.36	7816.37	4301.43	3315.17	4049.35	6278.07	5097.94	4874.91	5372.83	4710.15	3859.61
Pro-Gln-Cys	1071.09	1185.37	1856.35	1630.22	766.23	2570.69	3088.65	2869.25	1695.8	2956.07	2046.19	903.28	841.63	9010.06	2023.27	12022.68	7130.72	4567.55	2990.57	2819.71	3272.51	541.51	825.17	7806.62	750.63
Cys-Ser-Gln	832.67	1355.43	1791.85	854.0	1418.07	1085.57	1739.16	1649.27	564.33	2909.83	1730.08	1369.48	835.25	4782.27	1377.69	6072.65	4230.66	3062.06	1529.37	1521.92	3012.98	528.03	475.27	3534.02	23532.57
Ala-Leu-Gly	17188.55	18214.77	20734.23	17301.3	20380.15	17999.08	24777.46	19031.9	17142.77	16198.11	5773.13	23897.12	25548.45	25272.84	23730.43	20612.7	20915.85	30319.02	22144.58	18558.34	26330.0	23997.76	19457.08	21680.61	24382.35
Talwin	272392.93	290494.77	220152.8	322752.53	270381.74	372923.77	334901.51	436765.41	357529.31	487964.08	439364.29	296517.03	302968.92	278974.47	335583.78	349644.74	383749.7	354121.7	358882.52	438417.55	286240.47	349753.24	427183.83	410164.74	320437.1
"(Z)-N-[5-[5-[(3aS,4R,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]pentyl]-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enamide"	5815.25	5290.19	6448.44	7361.18	6227.37	7102.86	7214.89	7921.63	4071.66	6760.05	5162.12	5301.73	5077.03	2135.58	3825.41	2203.29	5939.94	3446.08	3634.61	4969.65	3513.64	5852.92	780.98	1073.49	2400.22
Met-Arg-Ser	6016.27	6649.9	4826.36	6005.73	5773.91	3037.83	3070.01	3227.78	6694.76	4719.05	2330.98	4440.32	1062.74	2438.35	3469.61	1456.43	3418.05	3778.74	6043.77	5967.6	4478.45	6550.15	5873.91	3565.55	5682.35
"Propan-2-yl 7-[3,5-dihydroxy-2-(3-hydroxy-4-phenoxybut-1-en-1-yl)cyclopentyl]hept-5-enoate"	16644.4	16166.53	15018.8	16564.97	16993.31	22380.0	19713.25	18765.81	19434.23	24119.19	20670.19	16164.79	13805.47	14060.54	14746.62	15725.65	15778.07	18754.87	14908.24	18706.16	14084.25	15449.54	18225.96	17096.25	14034.72
Gly-Thr-Ala	370.18	406.43	782.68	426.07	504.68	893.43	1643.97	1717.14	551.61	1472.93	674.59	494.49	299.89	5961.86	925.11	9033.64	2621.78	1457.17	827.33	816.13	1100.13	669.27	307.57	5297.44	659.93
"1,2-Distearoyl-sn-glycero-3-phosphocholine"	6829.36	7514.03	6053.96	6052.2	6021.54	6199.86	8676.88	8492.71	7852.15	8512.64	12426.97	2645.45	2210.02	7059.92	4638.58	9373.2	9420.09	13714.5	27814.7	29232.96	157807.75	43103.15	33737.32	53832.87	54360.01
EX-527 (Selisistat)	31307.18	12175.25	31446.96	26436.1	30169.22	35310.5	24121.06	25083.3	7364.24	9384.9	8387.55	29720.39	39990.83	23400.99	32374.09	28145.66	28646.7	19419.66	29583.73	28599.51	11912.66	29513.42	24763.84	26458.6	8544.41
Glu-Glu-Gln	22458.23	27444.28	46128.7	24046.52	34566.77	63101.26	72438.51	75667.21	40167.8	87728.49	61355.66	25596.36	6215.34	207751.36	48222.63	222572.69	186460.7	120409.63	55247.07	44378.7	84339.66	11457.84	22535.85	144351.67	11609.63
"PE(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))"	17586.4	18801.71	14740.47	21172.77	16866.91	23724.51	19371.52	22961.59	24363.33	27874.1	22052.96	14546.3	15506.03	12328.42	14354.2	13834.8	16938.55	14553.09	15885.56	21450.01	12183.78	15998.6	18385.15	17286.38	15159.29
Glu-Leu-Thr	4290.65	3666.45	4923.67	4042.38	4341.13	2675.56	6127.18	7455.76	5802.3	7739.72	7635.12	7719.52	5506.48	5591.35	4355.55	8058.83	5401.0	4754.58	6706.42	5454.41	5744.83	4054.5	8211.68	5012.78	6343.68
Ser-Gln-Gly	694.42	1327.29	1206.81	1407.03	922.34	1242.2	2134.61	1312.0	574.23	1328.32	4604.04	3249.53	1857.87	796.17	2938.17	3097.2	3449.36	4627.65	2758.2	3173.77	3483.32	1669.76	2491.55	3143.86	1112.25
Ser-Tyr-Gln	6890.57	7048.77	7401.53	7123.71	6659.2	6521.18	8048.26	7465.87	6156.06	8352.02	6791.39	6909.49	6426.41	7141.96	7188.74	7643.35	7383.65	7825.06	7054.86	7103.36	7519.45	14237.53	6844.42	7549.79	6630.19
Cys-Met	32060.52	24926.07	24197.91	33862.82	34025.22	20898.63	23464.42	25627.86	35951.73	22958.69	21467.69	25851.59	12224.05	9775.84	14845.97	7881.27	9226.23	21887.63	17622.09	27117.77	15820.3	29705.7	21061.39	9195.49	15164.99
1-[(9Z)-hexadecenoyl]-2-[(11Z)-octadecenoyl]-sn-glycero-3-phosphocholine	60905.7	9643.85	44134.05	57535.17	130601.1	33848.98	152299.0	63339.5	89430.48	17359.64	7318.64	34304.23	58387.89	17875.11	21126.12	86469.51	54263.8	64170.67	57927.81	18517.55	12031.28	9138.9	41635.78	70122.24	31543.1
DL-Arginine	20564.12	21510.34	33575.38	31969.79	18159.37	19107.96	26689.44	29073.11	30278.09	28122.21	16905.77	28779.15	36865.36	35576.93	29677.58	31662.51	27695.04	29359.15	23704.96	21842.35	36421.88	33206.04	22679.53	28348.16	29890.19
"PE-NMe(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))"	4255.3	4826.6	3427.1	4641.35	5097.96	5385.26	5958.65	5251.59	4868.07	5540.07	5610.97	4853.61	4273.96	5058.57	4563.68	4711.9	4958.36	6157.72	4455.06	6146.11	3909.97	5105.64	4752.18	5717.76	4921.11
8-Hydroxy-(+)-delta-cadinene	89808.09	94035.25	73383.67	105065.71	87413.89	119533.23	107659.78	136719.25	115097.71	184551.52	141418.79	95080.2	99305.11	91695.93	103773.9	109800.99	118621.56	136219.65	116805.04	166266.84	91120.98	110490.91	133188.89	136222.69	103210.58
1-Stearoyl-2-vaccenoyl-sn-glycero-3-phosphocholine	37417.39	29052.73	32875.94	40029.28	38498.13	18221.34	24384.89	2673.65	49387.15	49120.37	13466.08	16478.15	52518.06	70171.68	47316.67	108529.22	69444.65	91354.34	41886.39	89315.98	80611.76	76592.44	54868.96	59509.68	106604.05
1-(11Z-eicosenoyl)-2-(9Z-tetradecenoyl)-glycero-3-phosphocholine	62832.05	168750.02	60094.94	111986.56	196812.39	670314.39	221294.17	523604.44	72699.87	203135.47	17784.41	20838.46	53087.74	221491.06	28377.02	37484.67	36355.33	31420.58	10245.51	14480.07	12995.68	30283.13	47898.61	13630.99	53201.33
Juvenile hormone I acid	1579.56	3259.96	2628.49	1540.6	1613.09	807.97	1466.96	2146.97	1160.56	1241.46	2039.34	1103.78	1237.77	2369.91	1545.59	3112.26	2336.02	2444.24	1523.21	2387.32	1235.37	1250.87	1264.37	2110.58	827.71
"[3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate"	112747.72	256194.35	309006.82	127367.67	95495.76	452138.22	263535.64	151999.43	221655.16	211448.73	118351.61	342992.32	402563.95	138387.79	311381.7	132452.44	135875.23	111679.76	175271.34	119429.39	941062.44	211055.04	466371.07	182425.53	191340.0
2-Hydroxytrichodiene	749.37	2181.0	827.94	2346.98	1080.67	1958.35	1589.67	2346.05	1977.9	2642.63	2598.67	732.29	1213.48	1799.81	2192.81	1355.12	1900.38	1925.09	1854.6	2987.3	1449.46	1383.61	2817.77	2543.85	1870.7
Inunolide	26433.36	23107.56	24487.58	17915.21	18056.09	22973.7	25641.35	21792.99	20465.5	20812.79	11206.45	15976.56	15510.59	16953.61	17828.88	16724.63	16745.57	17983.09	18761.03	17274.01	15470.58	16413.14	27830.23	17534.7	19999.33
"PC(18:0/18:4(6Z,9Z,12Z,15Z))"	33261.02	103973.14	197425.8	211063.67	192606.72	314229.67	81322.22	989134.55	281832.01	221405.19	728077.02	617439.79	891014.16	513270.95	291708.25	201313.33	253909.82	168252.78	163125.09	201339.56	431502.56	602634.1	306362.09	979072.18	530819.0
PE-NMe(16:0/18:1(11Z))	8876.07	10613.61	11537.4	12731.58	11571.52	1755.32	3979.63	6479.43	24726.1	126502.65	41046.2	83586.29	39991.02	113356.41	32056.25	29868.3	47403.25	82894.79	23674.91	31239.84	42282.96	89071.76	80177.79	100967.54	39351.84
"2-cis,4-trans-xanthoxin"	20062.12	17311.14	18869.51	19169.12	21211.84	35185.63	14083.32	16783.97	19629.07	32444.63	27027.82	19538.62	14705.26	12767.77	13577.12	16022.06	14289.71	15509.89	15264.3	22091.21	12633.5	16546.27	17169.86	19546.36	13593.78
PE-NMe2(16:0/18:1(11Z))	1295.88	439.95	867.01	904.59	883.39	959.73	2926.31	2974.04	748.83	2917.18	3662.02	4368.74	4936.66	7150.74	4827.19	3978.42	1200.93	3968.97	10404.96	8376.48	39958.12	14523.75	11252.0	12963.73	32345.05
PE-NMe2(14:1(9Z)/20:1(11Z))	4804.03	4347.58	13534.89	11604.14	3493.72	5519.9	6423.79	7085.72	2294.12	1903.03	10486.64	9664.67	13051.55	8790.85	11487.88	16931.63	10273.21	12872.29	12839.15	14243.85	13031.62	9661.44	11929.92	10255.69	13514.28
"1-(11Z,14Z-eicosadienoyl)-2-tetradecanoyl-glycero-3-phosphocholine"	4367.58	5810.02	2579.12	2610.84	1161.57	5867.69	6608.05	671.22	4677.73	9098.16	8896.73	6522.85	6822.0	6229.15	4067.18	6909.22	7196.7	7471.64	8152.81	10771.24	6930.25	8346.75	8987.91	9240.85	8915.33
"PE(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))"	5698.69	6313.0	6512.84	6652.35	3483.35	8971.72	8495.86	4074.26	6405.58	4806.86	8592.31	4137.8	3861.24	5985.57	5440.07	6404.17	6672.14	4991.8	4751.84	6965.93	5166.55	6150.13	6872.04	5325.8	4261.42
"PA(18:3(9Z,12Z,15Z)/20:1(11Z))"	21578.86	27412.33	23271.87	26945.44	25742.5	30318.42	27460.52	30144.12	33210.45	37166.13	30122.42	25283.01	26125.15	23033.38	24067.31	23358.35	25094.54	25540.35	25126.04	30116.44	23895.77	26806.29	26571.61	27718.42	28003.44
20-Dihydrodydrogesterone	16862.68	17823.63	16303.61	16542.67	16940.94	19275.01	20755.15	21316.85	20008.89	22976.65	18890.15	18936.34	22871.17	22239.39	20101.24	20863.07	22656.74	18323.01	23053.06	19557.28	22614.32	16439.73	19814.5	26329.1	19281.31
"1-tetradecanoyl-2-(11Z,14Z-eicosadienoyl)-glycero-3-phosphocholine"	36505.92	41447.3	42309.23	52973.75	131688.19	147761.66	154872.55	110028.4	71287.71	57199.46	18227.97	20786.05	17359.01	24336.91	16826.73	18829.59	57553.76	24758.71	18993.23	35814.23	31121.36	38237.34	7372.65	33392.28	9151.93
N-Methylethanolamine phosphate	5796.64	6238.33	4189.4	4922.06	3399.18	4493.89	7642.42	5826.17	6320.52	6948.0	7206.08	7137.12	7782.98	5962.46	6294.21	7218.45	7965.7	9287.92	6095.51	7660.6	8653.94	7217.91	6358.82	8607.53	7344.99
"1,2-Dipalmitoleoyl-sn-glycero-3-phosphoethanolamine"	2958.84	3095.54	2561.46	3856.62	2669.22	5345.15	3309.37	847.91	549.38	5164.92	4488.93	2021.79	2353.48	1601.74	1810.22	619.31	1451.73	2830.65	2139.13	1181.8	777.76	2036.75	2758.13	1302.3	3662.87
"PE-NMe2(16:0/18:3(9Z,12Z,15Z))"	15484.86	1225.14	742.36	6396.47	6822.71	6317.96	4156.73	13891.12	50060.35	21927.86	35424.32	17664.57	14705.93	13408.35	9279.81	13663.69	12286.32	58568.24	12795.56	12538.22	24701.45	20521.67	11167.63	12535.59	10165.93
6-phospho-2-dehydro-D-gluconate	7376.7	9182.65	8311.7	7444.37	7729.16	8027.61	4422.75	6880.73	6848.43	8090.33	8576.14	8499.39	8977.6	9666.92	8800.19	7972.96	7806.83	4703.02	7656.99	7343.57	9864.95	8574.86	8636.06	9164.16	6624.44
"6-Imino-5-oxocyclohexa-1,3-dienecarboxylic acid"	6574.38	4319.33	5413.08	6287.88	6109.9	4467.94	3219.24	4281.98	4384.91	5433.11	3353.64	5336.51	5111.68	2409.25	3841.59	5304.68	5248.76	5214.26	8188.29	4697.25	4767.19	5995.06	5423.51	5397.83	4822.65
"1-pentadecanoyl-2-(11Z,14Z-eicosadienoyl)-glycero-3-phosphocholine"	1389.27	7117.51	655.6	1142.94	2245.07	644.45	1538.64	3260.63	1548.79	3669.18	14238.85	22438.38	15273.85	10092.12	9090.91	3407.45	4589.35	3667.65	3493.21	3198.56	1172.75	1620.05	1359.83	3398.56	1511.23
3-Hydroxysintaxanthin	69200.54	62573.95	51525.09	70724.35	64978.6	71162.73	65502.9	67777.07	72522.9	79410.97	71266.56	53546.2	48837.2	47978.16	54529.53	48409.63	48125.43	52801.51	55384.39	64272.67	43414.34	45354.94	65465.12	51307.94	44451.92
Dihydromethanophenazine	25890.76	26997.36	28496.75	27343.31	26980.84	29718.39	44715.15	31181.46	28402.53	28234.52	28134.0	28939.81	29770.94	28856.52	28696.86	27054.92	28692.42	40203.28	27996.31	27090.5	26606.76	25876.65	25529.06	26034.62	26058.76
"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone"	9452.63	10269.77	8234.34	10990.35	9614.24	13365.85	10605.56	12007.2	12928.69	14073.68	12732.17	8356.57	8077.88	7008.01	8829.64	8545.09	8910.25	8673.17	8461.26	12012.9	7140.01	8987.77	12974.02	9207.4	8671.55
"PC(15:0/20:5(5Z,8Z,11Z,14Z,17Z))"	2734.33	2848.45	2597.51	3105.45	3377.13	3948.8	3989.96	3710.69	3933.45	3722.9	3343.12	2936.52	2132.63	3065.51	3500.11	3256.35	3160.98	3745.64	3305.62	4108.53	2939.53	3428.78	3616.31	3709.83	3356.42
"5,6,7-trihydroxy-2-phenyl-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-4-one"	270031.0	270237.66	241896.37	240284.82	210604.39	252921.96	149640.87	153120.4	251708.38	312925.62	179930.97	202040.26	153441.86	120628.75	249020.13	192849.58	214259.96	285769.8	195657.88	243964.02	189489.99	134382.92	238818.7	269669.82	221732.51
Nicotinate	5263.97	4695.34	4936.96	4908.82	5234.38	3355.26	3686.86	3128.06	3988.74	4482.0	4318.58	5058.84	3842.92	4382.21	3365.11	3610.08	3820.56	3847.64	3723.77	3484.2	4069.77	3643.41	4318.59	2996.66	4619.32
5'-Dehydroinosine	2104.08	2227.39	822.69	924.2	1197.6	19506.17	5245.75	4216.79	14568.89	17720.36	3178.39	872.35	13793.38	2774.89	5725.78	5508.06	14328.03	2292.45	9663.88	24307.55	5361.62	4106.17	868.98	15230.6	17396.52
"PE(18:2(9Z,12Z)/20:1(11Z))"	13668.71	14906.81	15009.0	15148.44	15701.77	15856.72	16726.75	33211.59	17493.53	16359.85	51389.12	29493.94	24504.64	30545.99	33125.87	12824.46	57451.05	53439.85	20428.24	12212.82	9592.42	12792.12	10052.06	22191.65	26953.13
"15-cis-4,4'-Diapophytoene"	2440.94	7625.0	3986.4	6223.46	6106.44	2660.82	956.34	2985.84	1774.15	900.5	1137.07	1543.9	635.12	1461.35	1084.84	1720.72	508.34	4533.95	7851.79	935.0	1874.0	6075.25	2439.44	5532.58	10333.94
Mycolactone F	3528.37	2518.67	11352.4	5373.07	2655.38	13362.09	9862.35	17835.2	15366.53	13123.51	10819.34	7659.26	7514.05	7495.96	7704.31	7676.29	9249.29	7998.96	8234.97	11414.6	7178.04	8690.08	10841.28	15026.66	9276.36
"PA(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	3574.48	4157.45	3595.27	4447.75	4494.28	5134.94	4672.03	4872.76	5657.62	6657.46	6471.86	3662.84	3382.01	3228.02	3602.73	3853.78	4909.8	5063.5	3944.21	5599.38	2540.08	3930.2	5160.58	2453.9	3293.03
3-Hydroxy-beta-ionone	747.1	809.15	745.89	510.87	838.12	1730.17	1013.54	1201.04	856.79	1125.4	360.16	422.76	713.3	1110.46	632.11	933.39	975.04	1278.33	545.88	405.51	1738.97	1125.51	1024.66	687.53	995.58
Psychotrin	29514.74	27778.14	26271.23	26698.46	27331.32	26182.34	41227.56	27573.8	25602.39	24844.23	27448.83	26225.6	26180.68	27525.85	25500.51	27430.02	29332.84	46081.91	28296.93	28506.27	29471.55	28546.55	29021.16	29130.41	28328.32
N-hydroxy-L-isoleucine	3229.49	2309.63	2849.15	1390.28	3329.82	3545.91	1342.5	6456.61	4112.67	4817.07	1566.05	5067.54	4564.89	3312.85	4507.64	2993.38	4755.69	3451.79	3147.55	3484.8	2383.54	2355.15	2562.06	3123.27	2535.09
"PC(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	2224.78	2279.33	1494.98	2571.37	1143.29	476.33	985.78	844.28	951.75	1071.67	829.78	839.87	771.68	974.67	408.55	1022.04	1032.83	634.53	896.76	938.74	853.84	677.32	1122.58	863.57	441.26
4-Hydroxy-L-glutamic acid	46390.81	44193.92	43872.24	45742.82	43115.04	44484.18	49130.92	47340.73	47343.23	44361.33	36817.26	41883.32	41536.13	40008.92	44927.78	39204.36	40171.39	45810.52	43654.57	41255.71	42319.75	40237.59	65271.94	43153.74	48038.44
Acetylenedicarboxylic acid	3595.14	4239.04	3644.15	2858.61	3331.09	5162.19	5223.5	4466.58	4229.65	4054.53	3427.96	3445.36	2565.55	5339.75	4066.29	3679.42	5046.65	4830.98	3769.24	2980.73	4128.8	3930.31	3987.33	3305.68	3891.7
1-(4-Hydroxy-2-methylpyrimidin-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium bromide	9273.26	8041.76	6736.64	8260.74	8668.47	12058.94	11225.65	13094.36	11277.87	12014.04	12000.11	11372.44	12666.22	13878.13	12538.9	15077.85	14453.34	12287.1	11440.3	13169.78	10905.46	11703.17	8952.9	14780.4	14208.42
9-Riburonosyladenine	5895.26	10118.9	10093.94	9718.26	10290.11	29224.07	16601.44	18610.0	17000.93	6783.14	14514.05	19679.72	32381.92	16741.92	24964.34	21709.98	19553.93	14343.18	14208.74	17642.5	10075.17	17601.22	13666.6	23378.06	33326.51
"PA(20:2(11Z,14Z)/18:3(9Z,12Z,15Z))"	7844.7	8305.98	6831.82	8768.96	7863.87	10801.4	10259.89	11956.77	11206.67	13458.67	8980.11	8843.39	9122.24	6737.94	8614.52	7721.26	9205.31	10629.72	7132.46	11895.21	7656.72	10759.06	10678.42	9971.53	8660.19
LPE(0:0/22:5)	2248357.53	2117822.69	2104605.56	2137142.6	2136895.37	1518153.01	1633775.77	1635857.64	1632969.52	1767732.36	1412672.68	1391756.71	602464.63	1441404.75	1112159.54	1358461.86	1241831.22	1243437.66	1224834.61	75365.97	1063103.05	1491658.18	994315.25	1297787.07	1100773.11
4-Chlorobenzoic acid	5656.93	5449.33	6130.5	5441.24	5615.83	4679.99	7955.57	5155.8	4913.34	4937.29	4449.36	7259.92	7986.4	8709.31	8022.48	7459.17	6250.6	8912.55	7343.37	5735.77	8717.41	6870.72	6639.23	7605.35	7908.65
"2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl"	4555.56	4746.85	3649.24	5166.74	4416.43	6316.11	4488.07	5345.08	5844.39	7239.21	6255.42	4080.52	3897.33	3455.78	3704.47	4412.03	5168.22	4806.28	3923.13	5688.84	4269.08	4736.98	4810.83	4057.35	4346.37
(2S)-2-azaniumyl-3-[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]propanoate	880.34	881.0	643.56	1481.19	1187.34	524.47	1759.55	822.17	1257.09	960.59	1937.85	1246.68	1030.15	1630.29	553.91	621.83	518.17	1905.2	1414.45	944.73	525.77	772.25	690.58	1706.81	400.38
"PA(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	9822.3	10523.27	8810.17	11218.96	10943.01	11922.87	12731.64	11213.12	11920.47	12973.86	13097.34	10866.07	9737.79	10379.53	10687.51	11270.2	11219.18	13144.29	11849.52	13737.88	9686.9	12233.73	12388.46	11691.77	11993.87
Contignasterol	990.92	3027.25	2309.43	2974.97	3551.95	2901.04	3876.7	7383.62	5680.31	7599.74	7554.42	3554.77	1942.44	1399.19	1882.7	3978.28	4455.17	1066.07	4279.31	3042.31	2227.0	5954.13	6956.17	4775.13	2496.66
"LPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z))"	11077.1	11842.21	8338.63	10466.61	10779.77	8989.67	7537.29	6912.15	5135.56	9911.17	8724.11	4939.77	6407.91	6219.29	6005.58	6884.92	4326.2	4671.04	24422.97	15112.14	10733.15	8786.68	6674.13	5936.05	5583.82
N(6)-(dimethylallyl)adenosine 5'-monophosphate	4907.93	3656.46	1493.5	3021.77	2423.67	2060.44	1208.1	881.93	4162.85	3036.18	1232.31	1015.49	663.21	1503.61	1967.98	1622.09	1767.23	2306.69	2563.46	2747.9	3236.61	2709.8	3155.1	3915.81	5879.76
Norcraugsodine	1350.48	724.21	673.05	1072.79	1251.39	1299.75	1071.73	1435.39	852.63	1420.93	1069.86	1504.5	1364.66	3488.39	1727.12	935.36	2679.83	2791.06	747.31	1641.49	951.91	1629.68	584.61	3256.98	778.25
Guaiacol	6413.06	2763.56	7474.16	8445.99	676.06	2865.21	10011.02	7404.16	7690.6	7360.6	7727.7	6196.63	3982.87	5487.43	8231.59	9445.0	3005.52	9574.83	6833.76	10403.54	8912.13	9974.58	9073.56	8763.86	8236.12
Halstoctacosanolide A	13320.29	13231.39	13685.51	12754.54	13162.18	12387.63	19285.32	12604.04	12301.49	12710.24	10876.9	11501.83	11964.54	10906.79	10734.29	10654.23	10888.44	17500.02	10778.08	10699.5	10201.3	10479.85	10231.28	9993.47	10750.16
"7,8-diaminopelargonate"	3296.24	5341.71	3113.04	2601.75	2661.69	3066.89	5502.37	4581.6	2258.05	2540.62	3757.61	4730.71	5774.01	3350.01	3056.28	4324.44	3245.11	3753.77	3377.21	3056.17	2685.29	5631.77	2400.47	4345.21	4366.29
1-(2-Amino-4-methylpentanoyl)pyrrolidine-2-carboxylic acid	5247.87	5254.11	5696.97	5992.77	5116.02	6530.76	5251.36	5531.62	5679.07	4965.99	5001.36	4561.14	5307.79	4942.94	4328.72	4747.16	5439.31	5012.61	5344.73	5383.17	4255.49	3616.4	5256.11	5564.17	4906.44
"PC(18:0/22:5(4Z,7Z,10Z,13Z,16Z))"	64846.84	75291.28	65420.15	79019.84	73641.82	91909.96	74131.18	85762.3	94626.62	103088.05	88763.35	72564.36	67134.86	65168.07	67334.55	66923.81	76019.12	67940.08	70960.62	84874.61	61935.62	77947.37	75514.52	78350.12	70152.15
"1,2-di-[(11Z)-octadecenoyl]-sn-glycero-3-phosphocholine"	238292.09	282455.62	242174.74	289982.0	267720.56	329369.7	282046.86	314922.72	340048.65	399149.8	321526.37	273086.59	262554.33	247827.1	247444.8	246150.19	280919.36	268861.66	266680.32	311042.65	235706.09	285437.24	285385.89	300806.18	275643.36
nitroso (2S)-2-amino-4-sulfanylbutanoate	3547.16	3206.94	2770.7	2334.02	2890.69	3292.65	2271.97	3428.48	1918.39	2801.04	2239.89	1939.42	4078.72	2183.75	2536.33	2754.3	3096.59	2338.42	1924.0	2229.33	2702.99	4362.4	2572.32	3963.98	2263.72
13-Demethyl tacrolimus	10547.8	10838.29	11176.79	11631.67	11497.43	11607.61	18655.44	12410.72	10859.14	14456.17	10142.64	10316.05	9995.9	10275.96	10135.05	10480.3	10371.45	16057.16	10702.04	11203.63	11646.19	10936.87	11882.59	10602.91	10098.96
Vinaginsenoside R12	3878.26	3458.8	3881.1	3002.02	2618.48	3703.69	7883.38	5009.8	5410.91	4695.15	5560.41	4598.45	5328.75	6194.24	2640.54	4055.87	5359.51	10462.9	5462.18	5823.32	6665.84	5805.73	6085.88	6546.49	6749.47
Anabsinthin	6446.93	6312.81	6670.49	6289.86	7043.91	6799.04	7716.53	6655.37	6275.29	7112.48	6753.74	6396.8	5778.06	6251.87	6184.39	6748.71	6133.89	6920.49	6808.59	7723.49	5338.23	6841.61	7359.03	6544.94	7197.11
Ceramidetrihexoside	6696.97	6992.12	5809.87	9333.6	6528.6	9657.57	7785.12	9988.11	9803.77	10905.84	9752.03	7320.96	6795.02	6182.5	6754.97	7243.76	6313.09	6483.49	6932.22	8368.87	5736.03	7140.75	8308.76	6313.34	6810.71
"2-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one"	5045.59	5623.15	4825.42	6664.64	4636.88	6652.01	5434.58	4377.97	5351.76	6790.26	6844.0	4986.43	1294.7	3201.11	1734.59	4248.77	3999.44	5640.48	3869.01	5746.73	5753.84	4850.57	6381.22	6873.75	4648.72
25-Hydroxy-24-epi-brassinolide	2058914.13	1861935.54	1895016.57	1848196.9	1844961.66	1588946.22	1606873.48	1543741.69	1524174.81	1700603.04	1279394.41	1298216.7	2397131.96	1015338.89	1021930.08	834366.79	948057.79	1052411.13	978609.73	873958.14	794464.7	1172258.5	863711.2	883662.38	942099.68
Ganoderic acid L	6425.14	6744.07	6513.29	6179.38	6906.44	6193.41	11198.77	6971.51	6994.72	6683.42	6899.29	7112.78	6978.44	7092.01	7196.16	7151.6	6806.1	11469.87	7045.31	7207.14	6033.68	6630.77	6849.27	7526.4	6494.09
Mycolactone C	6970.15	8912.21	6959.21	8154.92	6939.15	10377.95	7943.49	10700.33	9949.06	10765.64	9711.54	6024.67	6477.53	5644.59	6218.03	6359.83	7316.1	6556.42	6680.8	9305.49	5366.58	7285.29	8851.6	8064.13	6656.85
Colubrinic acid	76079.28	79187.34	79955.16	76375.74	78415.94	79890.26	128964.5	80677.91	80732.45	84814.65	80714.17	79913.58	78023.24	81651.34	78985.53	76015.5	75871.94	132148.09	77326.2	76500.67	78422.84	75615.04	79611.82	79775.58	74372.81
Myxalamid D	13928.63	13741.85	11718.21	11905.39	12658.85	13918.92	12570.08	11482.55	8375.08	13972.02	13799.67	9648.02	11776.86	9562.52	10229.07	2508.73	10172.93	9938.61	11496.8	12846.66	9617.96	7664.45	12011.48	12755.31	10313.99
Kunzeaol	46786.73	51497.87	39187.07	58840.58	48992.89	68634.02	60900.81	75720.44	65653.64	86164.49	85284.38	55233.88	55539.8	49089.52	62256.7	60764.29	70720.69	65402.18	65912.7	78057.24	49917.73	62900.31	76202.33	77958.54	59316.02
19-(4-Hydroxyphenyl)nonadecanoic acid	2071.64	3402.79	2878.93	3197.86	3273.71	2630.7	3109.01	3551.0	2890.54	2668.33	2788.77	2995.84	3201.93	3501.74	3317.87	3189.44	3149.78	3330.05	3914.72	3317.46	2954.62	2982.16	2688.74	1291.19	2287.2
15-Deoxoeucosterol	550379.86	578433.81	541366.16	602626.41	562504.62	648848.97	597441.45	648052.48	642543.51	686175.4	602150.8	565316.43	554554.98	530043.44	546303.48	531105.66	566879.21	553397.7	560097.49	613636.09	524286.74	593563.51	589508.71	602859.15	581414.91
2-[hydroxy-[2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium	140610.12	126489.2	151349.12	164480.56	282472.26	136268.25	97113.41	185519.62	162214.62	126739.76	27300.12	87939.75	91116.07	67528.63	77805.35	63817.35	45724.79	60376.75	53720.99	75390.41	45853.08	101606.49	48902.38	54921.75	45025.51
Dodecanamide	15089.12	14622.44	13996.4	18081.89	16966.68	20859.55	22080.31	18146.04	19789.15	19293.48	19593.63	14034.56	15117.59	16039.88	15647.68	20286.38	19574.48	19336.97	14528.18	18669.46	17391.86	20783.12	23848.59	20113.52	13786.46
3-Hydroxyisovalerylcarnitine	6743.89	5227.63	5005.64	5874.56	6995.61	9114.84	5451.01	6488.42	7022.3	9759.7	9861.94	5543.23	4413.77	3865.66	4703.84	5593.17	4533.43	5954.93	4176.47	8744.4	3750.85	5833.93	5884.68	5061.26	4189.13
PC(14:0/P-18:1(11Z))	882.34	955.75	1737.17	876.67	1086.39	1353.68	2204.92	1467.92	800.71	996.82	1492.81	2367.81	1150.78	1897.29	2335.17	907.59	1731.85	3231.6	2746.08	2256.62	3418.7	2830.89	3466.92	3140.95	4185.9
"Fusicocca-2,10(14)-diene-8beta-ol"	1900.83	2141.5	1274.36	1484.64	1164.7	2265.42	1712.78	1726.28	1406.02	2559.52	2416.92	3269.64	3312.1	2701.66	2990.18	3732.4	3590.25	4353.91	2966.65	2684.13	3295.01	1655.81	3297.95	3864.57	3796.58
"1b,3a,7b-Trihydroxy-5b-cholanate"	2918.56	2057.31	883.45	2326.92	3601.98	3063.92	2480.63	6707.07	6797.32	6018.47	8679.59	3158.42	1136.44	1105.43	1431.39	3527.6	5187.39	2550.25	1010.63	3076.88	1389.96	6440.05	7928.39	1581.86	2006.14
"4-Carboxy-2-hydroxy-cis,cis-muconic acid"	8012.63	32054.09	22424.54	23696.3	19103.4	8235.9	9054.44	3843.06	7520.62	1017.26	8881.69	16696.18	1600.59	6401.11	7342.83	2209.81	2113.03	8339.79	6456.32	6511.54	7030.07	8933.99	24311.33	1590.31	2155.61
"2',3'-Cyclic GMP"	18189.11	15803.85	14206.82	15417.23	13696.04	10821.49	12330.64	10353.75	12372.57	15300.21	17606.59	16611.22	15858.13	15961.13	13806.52	17824.66	16436.14	18582.42	13971.38	14096.16	18912.05	17042.89	13713.87	15974.08	19073.4
"(4-{5,7-dihydroxy-4-oxo-3,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}phenyl)oxidanesulfonic acid"	8820.4	7867.66	7289.88	8159.5	8286.59	4169.57	3821.05	5580.24	6389.34	8321.89	10147.16	10049.38	8093.82	10731.15	7352.03	10772.69	8962.13	7971.19	9911.95	5037.35	13107.77	10856.68	10806.7	10190.92	10010.92
PC(14:1(9Z)/P-18:1(11Z))	8695.0	9179.52	9933.77	9186.98	9986.41	10760.96	11971.16	9753.64	10754.4	10008.52	9184.52	12452.36	11722.3	11243.35	11471.25	11117.06	11654.05	21574.3	11331.32	13752.0	12318.3	14271.45	12081.47	12696.44	17529.09
"(R)-N-Acetyl-6-(4-aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone"	3551.73	3582.03	3552.72	3155.15	3285.16	3393.27	5887.2	3587.94	3064.81	3405.48	3253.48	3671.66	3680.65	3561.55	3436.4	3963.99	3757.59	5530.87	3683.45	3538.28	3702.6	3717.19	3193.07	3429.31	3798.12
PE-NMe2(16:1(9Z)/18:1(11Z))	51127.84	74234.31	17703.86	18251.86	37831.53	82293.68	79339.09	79091.36	68545.33	74052.36	30532.0	14520.93	33707.81	76277.65	87371.62	42562.24	43577.7	23956.07	8249.5	35656.92	154393.03	25242.9	36192.25	55746.19	58205.18
Avermectin A1a monosaccharide	18349.25	17675.62	18046.47	17207.76	20431.25	20324.6	30143.42	18825.62	19270.5	18182.98	18770.61	18330.72	19606.19	19556.31	19250.09	20025.89	19178.96	32513.15	20886.28	21136.33	22144.0	21462.17	21858.53	20305.41	21865.09
"Fusicocca-1,10(14)-diene-3,8beta,16-triol"	5313.96	3761.21	1283.98	4825.81	6339.55	1818.05	7905.19	3989.24	4072.43	5897.17	2817.3	1732.07	4136.11	5046.33	4908.0	2372.46	4861.68	8532.65	3450.15	2539.49	4289.5	1682.43	4046.19	5102.46	5473.35
"magnesium;methyl (3R,21S,22S)-11,16-bis(ethenyl)-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate"	9974.96	10510.44	10029.76	8777.45	10343.34	10553.92	19293.59	13135.56	11767.09	13564.21	15561.12	13999.19	13817.0	13681.04	12368.87	14694.94	13976.14	22334.03	12918.36	12390.35	14140.02	11772.78	14301.14	14227.85	14746.73
Tangeraxanthin	1154294.38	1224329.32	1142410.85	1304282.51	1184946.58	1426103.95	1273623.78	1407872.69	1399410.69	1547212.5	1322158.38	1184866.98	1192140.56	1085989.0	1152053.91	1137041.67	1215276.46	1187896.8	1170330.79	1368508.02	1093685.34	1245830.62	1248256.28	1272232.38	1205881.41
Strophanthin	4273.88	5207.01	4392.04	5434.93	5143.97	5568.65	2821.74	4757.23	4583.57	6203.92	6758.07	5924.43	4744.08	4221.41	5439.34	5935.49	5296.04	4787.47	4229.62	5473.08	2332.96	4980.91	5393.93	4998.27	5668.07
LPA(i-24:0/0:0)	89146.68	94574.61	94553.77	96120.29	88950.43	102337.47	144769.98	100733.78	99853.97	101786.58	97295.94	92427.36	98954.85	96286.76	94275.11	92903.51	93266.68	136136.08	94562.04	90237.36	89768.95	87622.03	87158.27	86154.83	92068.21
Acetyl citrate	28752.71	31159.15	55944.62	51356.04	78279.95	91393.77	39956.05	89860.79	58194.68	36910.99	72166.91	102609.2	32374.42	109373.84	106737.22	107958.59	102071.68	88372.31	53315.52	71582.61	112006.91	114006.5	107643.01	73921.68	118836.9
"PA(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))"	4261.69	4464.51	3802.73	4956.49	4115.18	6236.63	5681.55	5535.87	5339.06	6485.69	5458.91	3699.39	3193.65	3021.22	4133.27	3930.04	5982.25	4307.94	5514.26	4524.95	3518.78	4523.12	4781.86	4286.07	4298.26
Avermectin A1b monosaccharide	10725.52	12017.15	10607.59	11373.45	10767.27	10866.69	16257.31	11403.35	12781.4	11239.67	9983.12	10922.64	12196.04	7522.32	10539.65	11018.19	12845.33	19005.98	12565.64	12452.07	12131.42	12562.36	12335.49	12475.29	12840.45
(6E)-8-hydroxygeraniol	29884.41	24798.0	23300.61	29564.19	27851.73	45163.72	26160.21	28060.21	32888.05	44507.28	47635.07	26741.89	22246.38	18708.61	19706.08	24118.4	22077.8	22293.32	22498.62	37611.88	19564.34	28175.52	34662.79	30238.86	20414.42
Iriomoteolide 1a	217632.11	205031.76	178989.2	210004.72	208457.08	212628.74	208637.87	210669.98	225967.74	241233.83	193349.41	161754.52	151082.34	160751.45	162733.46	168033.43	161769.02	169040.45	182787.4	218553.57	136320.01	161214.92	192800.82	172675.78	182639.33
3-beta-D-glucopyranuronosyloxy-5-methylisoxazole	3565.04	5031.42	2817.35	2952.59	2853.3	9010.87	1141.23	3291.12	6416.08	5517.78	7695.93	3141.15	13551.0	4932.43	8988.95	9177.05	6595.65	7822.62	3552.08	8037.65	2895.29	5552.54	4992.9	3414.19	10805.08
"3,4,5-trihydroxy-6-{[2-oxo-3-(3,4,5-trihydroxyphenyl)propanoyl]oxy}oxane-2-carboxylic acid"	165972.84	149615.34	151833.11	164353.1	177741.59	191471.55	232740.89	175905.4	192017.26	165760.48	194026.04	191136.74	212824.07	184996.39	218673.52	201622.24	191885.76	193897.57	161854.26	177647.87	165152.85	201082.3	166846.53	194254.27	200755.08
4'-Apo-beta-carotenal	13510.82	13655.33	13664.49	14065.95	15599.36	14994.93	20383.66	13406.4	15223.05	14612.07	15843.33	14816.59	15874.56	14744.59	14696.81	15413.32	15107.92	23412.95	16837.17	16793.02	14961.34	15395.6	20698.88	14820.96	15243.5
Lolicine A	18754.02	16449.17	12190.89	19494.51	14311.98	23903.45	17998.36	24335.64	23045.59	32431.64	25583.51	16879.15	16042.12	13713.67	17759.99	21905.81	18932.25	17585.49	12630.32	25758.33	14619.78	18344.17	25110.8	20011.83	16058.65
11a-Hydroxytetracycline	2222.72	2905.34	2430.78	1908.78	2260.23	2404.6	994.19	1994.81	2348.49	1914.67	2866.98	1725.93	2020.33	2261.76	2098.36	1932.91	1333.59	1275.18	1745.92	1731.07	1650.94	1043.8	1672.18	1515.74	2304.41
1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphate	1266.33	707.48	516.38	972.48	1126.31	1009.46	1946.62	1420.46	1698.34	571.25	2202.88	704.91	2408.95	2516.75	2254.68	2576.37	3101.34	3336.04	2310.28	2773.04	2614.45	1698.91	3009.49	2398.63	2499.62
"2-Hydroxy-8-[4-[4-(2-pyrimidinyl)piperazino]butyl]-8-azaspiro[4.5]decane-7,9-dione"	2959.63	6051.8	5888.88	7087.61	6760.08	10240.31	8739.01	9995.49	11095.47	11992.92	12575.92	4106.71	6355.81	6658.97	5905.79	8081.78	8293.83	8149.22	7505.94	8820.07	6258.73	7770.82	8598.68	7492.32	6746.55
N-Stearoylglycine	2710.8	2215.69	1806.4	2633.57	1856.15	3245.31	2275.04	2831.06	2814.83	3460.02	1873.53	1721.89	1145.4	668.99	1364.62	1170.79	853.88	1930.61	1257.73	1483.93	975.6	1334.59	2362.98	1942.81	1094.15
"4,4-Dimethyl-14a-formyl-5a-cholesta-8,24-dien-3b-ol"	10638.87	14438.94	8543.96	11252.74	9546.63	10536.24	9474.24	10640.59	13296.05	17102.29	14183.3	10955.19	14115.18	11265.69	13000.39	11395.65	11179.31	11755.2	16116.63	11928.62	10151.82	10338.47	7580.6	5607.35	10255.69
"PE-NMe2(18:1(9Z)/18:3(9Z,12Z,15Z))"	21670.92	21576.05	17591.5	20575.63	18585.61	6099.31	549.09	20128.85	20869.66	1307.56	15579.91	2820.0	68050.32	23663.73	21404.12	27078.89	21559.6	32057.52	18267.8	25694.36	13693.26	17387.74	16954.95	31451.47	24557.88
"1,26-Dicaffeoylhexacosanediol"	17932.66	15885.43	17798.92	18778.57	17598.27	16756.92	25765.2	18413.14	17191.27	16942.27	15849.5	15802.49	15871.44	15241.4	15461.08	14955.14	15747.93	22999.95	15454.64	15023.08	14467.83	16154.11	15293.89	15798.88	13590.54
"[(2S)-2,3-bis(3,7,11,15-tetramethylhexadecoxy)propyl] [(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl] hydrogen phosphate"	11982.31	8179.73	8723.41	10179.93	10889.56	6170.67	7309.96	6437.0	6565.27	9003.44	5617.13	4666.5	3545.81	5149.5	4063.12	3435.39	2579.34	2662.77	5083.19	3617.89	1870.3	6336.04	1741.85	1290.89	3179.62
N-Acetyl-leu-leu-tyr-amide	12046.0	10908.61	11802.09	11612.46	11509.03	15088.64	18360.48	14521.12	14080.38	13865.38	14859.68	15339.65	15910.09	14715.06	15836.05	14407.22	14418.03	21933.71	14505.44	14491.66	15049.49	13115.31	12756.21	15854.02	14017.77
Retinyl beta-glucuronide	4612.1	4690.18	1796.8	2747.92	2454.68	3865.49	7443.05	5828.62	5275.83	5645.08	5350.34	6997.65	7011.86	7497.77	7776.7	9573.6	5549.82	13776.43	9883.25	10839.68	9213.05	10544.65	11089.03	7014.93	8047.97
"PA(22:0/18:3(9Z,12Z,15Z))"	4771.74	3439.44	2186.79	2504.72	3524.24	3814.45	8722.77	4312.04	3324.35	876.63	3418.57	3923.61	4825.5	4615.89	3986.72	3969.37	6800.77	11408.17	7437.88	6945.65	7366.07	5826.74	5825.64	6075.7	8987.2
Mikamycin B	20505.26	36390.37	15945.4	12603.77	16952.96	27336.43	11948.94	16212.55	37614.15	19705.18	18231.1	19139.18	18860.25	21237.99	56697.12	28431.92	33636.84	28286.0	59122.33	29685.05	30477.05	50289.93	17442.4	50255.63	141623.8
Norzolmitripan	571.22	792.73	2324.55	543.41	2461.74	3542.79	5810.68	3435.13	2721.26	6127.86	3265.21	1100.32	691.21	9827.2	2598.95	10505.86	7210.61	6914.05	2204.62	1063.92	4168.68	1482.57	1030.48	8020.5	1590.49
"1,28-Dicaffeoyloctacosanediol"	3427.19	9325.57	5022.54	6858.36	5785.12	4827.35	12055.06	5929.67	5609.6	5380.94	4228.73	14741.93	9594.44	6886.09	7264.69	6847.56	4147.06	12615.02	10647.05	6800.27	8186.4	8854.23	11846.96	22405.78	12458.8
[(2R)-2-octanoyloxy-3-phosphonooxypropyl] icosanoate	1730.24	1894.4	980.83	2080.13	2023.43	2802.42	1869.12	2533.35	2560.93	2684.93	1369.56	1318.9	1080.24	994.69	742.11	913.43	1516.14	622.1	1489.98	1609.2	921.43	753.05	1713.84	1093.47	737.92
"3-(3,5-Diiodo-4-hydroxyphenyl)lactate"	42233.96	43068.57	37879.78	52371.97	42401.36	63800.21	45873.47	53496.31	60805.85	63472.69	57766.56	43304.86	43872.73	39640.33	44346.01	40907.82	47004.2	45464.54	45433.46	55007.73	35899.7	49596.56	51412.78	51099.41	44031.88
"[3,5-dihydroxy-2-(hydroxymethyl)-6-[3,5,7-trihydroxy-2-(2,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]oxan-4-yl]oxidanesulfonic acid"	22154.23	26676.34	22286.98	27358.0	25723.23	25722.09	18590.16	24634.94	21950.94	23042.18	33616.17	44029.86	36498.14	38059.81	37849.36	39835.41	39728.04	33058.06	29526.95	27038.03	18412.6	38265.54	25494.6	36602.6	36147.48
"(5S)-1-(3,4-dihydroxyphenyl)-5-hydroxydecan-3-one"	2467.06	2521.71	1086.11	933.34	1094.32	5131.92	4445.32	3154.47	2368.66	3202.52	3640.91	4181.62	3844.43	4506.12	3850.31	4111.18	3771.0	2784.19	2525.21	2212.35	1487.42	3239.58	1063.74	2679.69	4803.44
MG(0:0/22:0/0:0)	5882.98	6018.51	5964.74	7411.52	5955.91	6810.23	9550.75	12023.99	7514.65	6465.79	6310.11	5974.27	6740.79	7300.93	6301.65	5484.73	6284.77	9269.87	7091.77	6865.65	6850.0	6438.65	6960.28	6824.2	7079.61
"3,4,5-trihydroxy-6-{[4-(hydroxymethyl)-2-oxo-2H-chromen-7-yl]oxy}oxane-2-carboxylic acid"	25884.22	21082.8	20829.39	22562.04	17220.18	13986.98	14996.33	17769.43	16673.28	18796.66	25856.24	26199.84	22293.13	28324.92	20687.77	23842.98	23408.4	25675.49	21805.02	21931.99	28746.11	25320.38	27320.35	21871.68	23006.07
"6-[2-(2H-1,3-benzodioxol-5-yl)-1-carboxy-2-oxoethyl]-3,4,5-trihydroxyoxane-2-carboxylic acid"	11331.54	9208.29	9287.36	10895.01	14237.73	10409.22	11083.41	9046.84	7751.96	10195.45	9922.17	11714.05	3419.5	16759.94	10517.46	10306.0	9818.46	11519.37	9949.88	50528.82	8374.32	8683.18	9155.46	9933.55	9122.25
PE-NMe2(15:0/16:0)	14912.27	17195.28	12966.68	16989.38	16340.93	17847.25	17796.67	19010.67	20817.17	23853.14	18299.64	17510.54	18115.56	17182.23	16442.57	13476.08	15442.17	14918.68	14127.69	20229.37	14486.86	16033.82	24063.93	16863.48	19132.27
tamoxifen N-beta-D-glucosiduronic acid	931210.28	882426.12	783459.93	796749.22	745651.76	443711.98	472280.59	546058.59	414637.75	650120.98	562202.66	499273.74	638938.81	571796.63	458083.76	531998.35	444246.28	509443.9	117451.9	247452.65	352576.61	245311.77	401107.31	519943.93	435212.1
1-Tetradecanoyl-2-eicosanoyl-sn-glycero-3-phosphocholine	3225.36	9893.66	2544.17	7176.74	20044.47	17043.5	8584.26	52190.95	13495.85	8089.39	26393.93	28127.58	76629.57	58899.76	80994.5	42954.21	39164.93	26241.88	50305.5	37482.15	183100.98	53291.9	48699.27	51815.51	81131.47
"LysoPC(18:3(6Z,9Z,12Z))"	14703.39	10629.4	9819.39	10854.49	40253.96	8054.79	9208.39	5403.87	5723.94	5456.93	5861.92	4353.5	3954.38	6050.09	3793.9	4479.27	2488.89	2009.08	2089.02	3519.86	4155.33	4724.94	3729.77	1193.06	1189.02
(+)-cis-abscisic aldehyde	6342.25	7043.37	6476.47	6992.49	8357.05	6041.54	7638.9	4598.59	5759.28	7191.79	11999.45	1923.58	5239.95	4864.38	9549.18	3591.76	4044.97	8666.28	10716.84	2168.85	4916.17	5700.18	5102.58	7905.9	2816.99
"PC(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))"	7838.22	8869.32	7672.23	12107.93	8077.29	7499.2	6513.57	4520.97	4327.33	5352.83	2699.96	1288.25	6104.21	3468.72	5345.72	4282.62	6551.31	4394.41	2887.85	3545.36	3662.71	2830.69	4858.13	3053.21	5143.24
"Docosanoic acid, 1-[[(1-oxooctadecyl)oxy]methyl]-2-(phosphonooxy)ethyl ester, (R)-"	18121.42	30741.96	4096.76	32051.88	8485.78	16254.15	30626.74	29061.58	28237.68	29484.57	30004.99	22338.27	23461.87	30515.21	7943.02	29104.64	23096.62	21727.49	31136.93	29986.05	28430.55	17760.64	27354.91	28413.28	30779.87
Tenivastatin	14917.52	15009.35	15387.66	16311.23	18024.61	16887.82	26881.57	19975.7	18261.83	19493.63	24217.13	21855.69	19894.51	21540.65	23012.56	22357.54	21296.67	31984.42	26089.93	22408.2	21765.08	21557.31	19758.06	22143.47	20247.35
Alpha-Hydroxy-tamoxifen-O-glucuronide	33528.07	31751.75	32198.97	24407.84	29620.23	20980.16	19556.21	21235.14	15071.79	14901.1	13929.59	14312.92	13786.3	17907.29	15355.07	14035.99	14175.74	13170.9	9837.42	7229.86	10595.1	16223.02	14770.68	19282.95	4868.04
"1-[(3aS,8bR)-8b-hydroxy-7-methoxy-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-3-yl]ethanone"	7791.76	7770.36	7888.01	6986.35	6964.3	6831.16	7236.22	7578.04	7430.65	7650.36	7889.66	7482.11	7041.27	8083.23	7220.11	6959.64	7591.52	7200.25	6909.43	8004.51	7908.83	7835.22	8125.63	7881.67	7772.91
"4-hydroxylamino-2,6-dinitrotoluene"	3214.13	4933.95	866.18	4282.74	1893.26	587.41	2760.63	702.23	2181.28	680.23	1156.32	1023.63	1927.7	1162.78	1681.96	2416.82	1986.64	1591.58	2181.18	1431.42	903.24	2534.0	750.74	3330.04	5377.3
Tragopogonsaponin K	27903.93	26858.35	26845.03	24324.92	34230.0	23425.64	18648.33	25925.19	23001.75	23028.23	24180.09	25625.76	28274.31	19994.54	28598.83	32981.8	32813.01	29585.29	21956.76	21976.23	13510.8	43661.49	16958.68	35486.08	33515.64
"PE-NMe2(14:0/20:2(11Z,14Z))"	1501.52	1373.6	1420.54	1344.69	1357.13	1326.83	1315.66	1714.52	1639.54	1138.54	1591.33	1557.67	1685.38	832.21	665.51	2990.81	12307.15	2781.51	3754.2	2493.11	4292.51	4625.54	4068.88	1972.35	8577.81
Hydroxyspheroidenone	11617.79	13585.73	11127.87	12668.29	13493.67	15699.74	13945.79	15541.57	20270.92	18180.9	15565.32	14216.97	11686.37	12169.5	12426.12	10956.67	12167.98	11923.78	11806.77	15482.3	11010.6	12288.3	18761.88	13803.61	12160.67
"PE(18:1(11Z)/18:3(9Z,12Z,15Z))"	1020122.19	1175493.04	1044367.63	1209587.9	1121297.24	1391439.0	1222085.08	1343008.33	1408020.56	1634186.06	1307722.46	1126490.97	1144829.59	1014674.45	1060772.96	1033582.23	1096653.5	1131628.68	1109702.9	1355026.52	997255.16	1200362.31	1208821.73	1255547.03	1270506.89
"6-{[5,7-dihydroxy-4-oxo-2-phenyl-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-6-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid"	16777.04	13518.87	12733.05	13724.43	9806.49	7932.72	11480.75	9821.09	9873.01	15578.87	21292.83	17607.98	16933.22	18654.64	13956.73	17161.35	19715.67	14277.12	15597.89	19374.91	20206.55	19284.22	17283.46	14721.27	19889.09
"3,4,5-Trihydroxy-6-[3-(hydroxymethyl)-1-oxoisochromen-7-yl]oxyoxane-2-carboxylic acid"	36.02	33.45	39.47	34.99	33.61	2793.45	35.21	33.77	2068.21	5672.56	33.77	33.67	362.98	32.3	33.77	33.45	722.26	33.77	32.84	7054.05	34.08	34.99	34.44	2013.64	4301.56
"PA(18:0/18:4(6Z,9Z,12Z,15Z))"	14448.11	13065.28	11866.36	11598.11	11409.43	14132.59	19338.4	14056.41	14531.79	16483.2	16637.25	18710.69	15132.51	16229.13	18433.28	19640.96	21138.88	28958.83	19059.65	19456.7	18711.39	20660.13	21482.67	19908.95	22143.51
3-Azaniumyl-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoate	51874.23	51175.9	95457.1	50893.3	67760.17	35453.63	38505.16	46392.1	70975.48	25532.74	24153.2	43679.96	18694.79	31659.58	49860.04	9615.18	31888.74	31449.59	46590.49	25536.23	10779.09	46481.01	25698.86	41548.56	14061.03
Leu-Val	3490.6	3675.41	3624.4	3075.14	2864.38	3128.94	1962.4	3158.86	2191.76	2695.77	3241.27	3522.19	4106.91	2593.72	4619.22	3260.42	3839.93	2351.14	3930.12	2634.22	3418.24	4013.52	2856.46	3815.54	5756.22
Simvastatin	43623.95	41071.07	36786.37	37483.65	43437.35	40235.6	38437.96	45721.84	38229.16	41964.67	33301.89	30874.01	27963.51	33335.74	30882.96	30089.82	29190.4	33485.15	35278.9	40985.43	29616.6	29506.45	39337.19	42170.12	34834.12
Quercetin	6528.6	6639.34	6289.96	6485.55	6167.63	8251.69	7188.93	8127.11	8263.3	10368.53	9652.55	6735.59	6023.06	5168.57	6368.16	6735.81	6884.5	6649.29	6018.25	8212.55	5394.7	7480.86	7482.82	6975.92	5860.88
Protopine	11128.92	11395.93	11905.27	12628.59	12591.27	11468.48	11654.17	11713.49	12317.6	12812.57	11362.55	11807.56	12631.78	12344.61	12029.2	11095.35	11852.9	3574.19	7855.77	10578.8	13444.58	11939.27	12467.93	11172.86	11481.2
"15,15-Difluoro-9alpha,11alpha-dihydroxy-16-phenoxy-17,18,19,20-tetranor-prosta-5Z,13E-dien-1-oic acid, isopropyl ester"	6875.8	6361.61	6969.9	5845.68	2375.21	7192.61	10081.53	9137.91	10281.06	9449.52	8764.21	8510.79	8198.44	9386.81	9577.9	11272.75	8360.69	11577.91	8752.44	9329.95	9177.54	7829.51	8719.12	8808.09	9157.06
"(6R,7R)-7-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3-chloranyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	62932.51	63582.89	64547.46	62394.43	59824.87	59036.45	77692.18	59757.23	63006.72	59549.19	62184.39	59718.36	59439.38	60136.34	63129.58	60829.17	63352.12	80493.78	60063.39	61572.79	61809.2	58573.44	61781.63	60244.82	60143.1
Osimertinib mesylate	22838.22	18254.79	17843.2	20287.87	20046.99	32426.78	28566.83	25812.46	29292.08	29180.7	13334.49	13390.63	14982.25	16964.15	16160.34	19560.64	14593.12	15526.77	12068.17	16603.33	11483.9	14550.27	9728.28	14186.4	12172.92
Phe-Val-Lys-Lys	32934.33	34082.73	26305.21	37656.21	32354.31	39175.94	33302.4	34720.27	43850.3	49077.95	41959.47	22792.53	19758.89	24180.11	23468.38	26254.99	23852.54	28408.36	28069.03	37630.97	22648.39	23974.31	26182.6	27666.05	24309.21
Lys-Ile-Val-Lys	17469.59	15450.39	14779.13	17075.54	13607.02	16341.21	19298.33	8065.92	10850.27	16536.79	14466.06	15334.73	8875.85	15390.94	13724.76	10901.41	7188.9	14636.69	19677.54	9868.25	9791.82	8531.6	2441.42	7050.62	7003.99
His-Val-Gln-Arg	9748.11	10079.51	10127.79	9304.68	9378.12	9382.01	16900.14	9261.03	10780.11	9988.89	11230.81	10521.33	10803.05	10454.87	10398.13	10494.77	8407.15	20289.93	12516.54	11710.64	11924.41	11972.45	12241.5	11834.82	12281.87
Lys-Tyr-Thr-Ser-Ser	12584.83	11675.46	11228.74	13055.15	12296.97	15706.79	11722.7	14040.01	11762.51	18937.74	16807.86	12219.08	10839.56	10672.36	10624.93	10508.41	12880.26	8577.16	11549.75	15115.04	9914.74	11773.08	14126.7	11834.82	11240.08
Asn-His-Ile-Arg	5488.72	13898.36	8106.51	8277.15	11609.48	11180.14	17705.09	11297.32	8497.95	11161.13	13304.24	14374.81	13322.47	12400.73	12760.76	10835.15	29046.05	21748.98	13208.55	13194.05	12536.66	13623.29	13267.81	14113.57	13516.91
Lys-Ile-Glu-Arg	281976.85	183436.52	222723.29	177188.01	196114.85	178057.14	92305.45	187147.01	163859.4	197694.63	150937.81	129830.35	68293.29	53069.91	72556.16	48674.43	65419.18	59184.19	46149.1	68969.54	44163.22	63159.05	44602.23	76449.54	57189.17
Phe-Tyr-Lys-Arg	14713.68	14056.13	13049.27	15848.76	14069.87	20571.93	15444.12	17168.28	18740.9	23507.64	21457.65	14953.71	12914.51	13824.38	7668.38	14896.93	16894.78	18352.47	16287.21	20320.8	12950.96	16243.43	21437.97	17286.98	15779.84
Val-Thr-Tyr-Lys	6705.41	5927.29	6361.6	6426.15	6197.54	6793.31	10277.5	7653.57	6812.86	7760.54	7128.29	6616.79	6574.25	7021.54	6187.5	7227.52	7176.1	11015.04	7544.13	7158.29	7087.74	6944.43	8159.05	7481.32	8264.86
Ser-Arg-Tyr-Glu	3234.34	2592.46	2103.92	2299.96	2580.66	4436.74	2798.59	1098.91	2009.68	2813.72	1748.95	1234.48	1893.06	771.45	837.55	741.85	586.02	1719.48	675.0	520.6	693.77	958.99	671.13	467.74	719.76
Leu-Thr-Ser-Lys-Tyr	10550.45	10839.65	11410.72	5858.35	10863.93	10976.68	15327.73	10634.08	10745.95	10381.8	13013.21	10385.19	8266.06	9323.8	13249.84	12490.45	15208.58	17042.44	11401.74	13825.43	14991.45	11603.31	9241.05	14338.83	10168.83
Ala-Leu-Tyr-Arg	1833.92	3528.62	1978.83	2988.89	3309.24	3049.37	4923.25	4112.48	2255.66	2781.27	3029.35	4906.32	5010.76	2424.57	3605.88	3711.9	3605.41	10442.56	8367.74	6847.67	7896.37	8556.76	6760.53	7489.36	9115.16
Leu-Arg-Gly-Pro-Ser	2376.29	1403.67	3257.01	2964.11	2365.11	1422.34	4858.24	2213.8	2049.2	3525.94	3553.52	4823.61	4907.78	4888.19	2583.93	4971.74	5786.81	8487.24	5537.05	6799.73	7492.15	7842.36	8132.05	5833.46	7303.82
Leu-Gln-Lys-Ser-Leu	723.87	969.33	1777.87	943.96	1556.05	629.67	1049.64	1108.51	1498.78	1393.53	638.06	2456.38	1832.89	1649.54	5980.75	5338.86	3064.32	4601.9	1270.8	1837.23	2206.86	3706.56	2052.2	2193.76	2598.32
Leu Glu	13156.12	10324.43	13325.51	10079.55	13058.91	13883.68	15445.68	12535.18	14114.7	13538.18	5006.08	14197.47	12158.35	13532.85	12832.69	12940.04	12450.05	1768.75	13215.55	10842.46	13733.39	12495.23	13493.89	14912.22	13462.37
Lys-Leu-His-Val-Asp	29290.26	24772.06	25687.92	27933.73	27821.82	28769.16	48009.48	30417.46	27941.98	30910.07	27535.87	28304.6	29563.54	30172.94	30057.36	31712.73	30707.98	52123.8	31620.43	34200.34	33641.59	31466.3	32145.32	33251.7	29557.23
Lys-Tyr-Thr-Arg	20129.99	20751.16	17920.12	13870.91	21135.48	21483.59	23317.09	22694.12	22444.29	24562.91	24123.47	21032.09	19269.57	19777.72	20241.58	21486.29	21275.93	25124.73	21624.71	25209.26	17977.27	21200.31	22551.01	21895.29	22065.09
Ala-His-Val-Asp	2682.54	2878.61	2064.38	3455.44	2075.01	2079.08	6341.61	3338.85	4617.75	3592.66	1383.32	3571.84	4721.74	4876.54	5765.24	5230.68	4008.33	7894.93	11079.13	5313.43	4747.66	2070.59	6262.74	7012.97	6344.67
Ile-Phe-Val-Lys	3252.34	7272.14	4267.23	5599.22	2471.82	6312.79	8027.98	3410.84	6881.53	4538.24	4705.58	6055.52	7771.77	4189.59	4937.68	8408.91	9312.76	11580.59	4366.94	6168.41	4417.9	6865.89	5479.45	6745.89	6283.81
Trp-His-Thr-Ile-Ile	3530.43	7176.1	2348.49	5427.43	4173.31	6261.15	7692.51	5070.04	2816.53	6518.17	5191.79	6204.35	4728.68	5325.87	7874.95	5766.87	7106.58	11496.47	7116.32	7250.4	7793.93	8820.64	7546.72	6797.66	5819.29
Ile-Glu-His-Lys	6179.03	2446.71	5272.2	5592.94	3959.73	6613.54	6108.52	5877.17	6669.88	8692.58	7804.82	2438.11	2083.56	4415.66	4605.01	5238.29	5772.63	7131.95	5952.12	5758.9	5683.06	6050.04	7518.6	2802.84	5378.81
Phe-Tyr-Gln-Lys	2279.85	2313.25	2578.64	2297.58	1945.18	3492.72	4987.11	2619.31	2959.09	3301.84	2131.54	1362.49	2530.37	2048.29	2923.82	1786.74	1810.05	4439.04	2557.03	1755.92	2573.62	2698.38	2906.42	1870.17	2697.65
Thr-Val-Thr-Phe-Tyr	32352.28	27060.6	27921.62	33747.36	35199.02	27689.05	26080.44	26871.97	29524.99	31072.03	33519.15	26086.94	18867.39	18937.1	26573.59	27504.19	26670.21	27227.59	19582.56	28343.2	14368.44	37027.7	22476.62	22027.88	27675.63
8-iso Prostaglandin F2d4	51891.67	44550.27	36072.5	48907.28	43438.75	49787.12	42724.01	40386.17	43672.57	54586.29	42437.9	29172.83	33690.44	35326.63	38836.02	36686.6	29937.71	34188.48	31257.53	39964.4	34840.88	31787.15	41360.99	30402.27	24588.02
4-hydroxy Nonenal Glutathione	10435.09	20152.22	19457.1	10256.67	14531.15	31939.51	60555.99	45520.2	25430.81	57677.98	32037.03	13497.37	4168.69	84403.82	20021.89	97141.65	78044.24	95573.13	24266.77	33193.63	31291.34	9623.51	12495.61	64942.24	7617.03
Ser-Glu-Glu-Glu-Ile	3486.88	2798.87	3316.5	3464.99	2741.19	2389.74	3418.15	1154.69	1935.39	3237.4	1592.04	2015.99	1448.4	1319.6	1368.17	736.7	2169.32	793.97	902.86	1819.36	826.85	1774.93	1476.32	416.98	1592.79
Leu-Glu-Ala-Ile-Asn	2464.26	3325.95	2626.56	3749.22	4792.51	2768.99	4573.47	4845.52	1654.11	4870.77	4597.23	1889.47	3069.82	4741.79	4888.9	4538.02	4976.56	9141.01	4696.31	4848.53	5525.44	4416.2	4940.92	2654.91	5576.66
Lys-Tyr-Val-Lys	2217.76	4322.13	6611.55	6596.24	5855.97	3513.05	6752.55	8400.99	9131.25	6105.37	11627.4	10013.03	9534.4	9132.03	7603.02	10573.5	7545.12	21133.0	14561.97	12473.94	11066.0	8732.63	12754.01	8868.92	14122.91
Phe-Thr-Arg-Lys	20284.17	15958.95	16960.87	17128.54	23861.94	21907.75	24909.57	19387.46	16426.64	20703.53	18365.03	20416.74	17562.26	18565.1	18677.56	7851.35	18037.56	28739.73	18019.28	13687.83	19245.91	19221.6	21879.18	19598.47	20338.75
Lys-Val-Glu-Ile-Asp	1423.52	2969.94	1280.76	2859.19	1487.33	2721.95	4390.81	2451.81	1545.23	3017.23	3593.78	2114.62	5854.24	4255.88	3440.73	4754.72	3753.06	10026.15	5587.1	3748.51	6075.39	7208.03	4663.17	4684.78	7283.53
Arg-Asp-Leu-Tyr-Ser	6043.54	4559.53	5189.07	6140.01	6561.14	8391.14	6565.49	7591.14	8124.67	9744.57	8766.08	5587.4	5312.92	4983.43	5450.86	7036.18	7331.38	6233.12	6449.11	9265.49	5487.83	8127.62	7000.82	7908.16	8022.43
Val-Tyr-Ser-Lys	2973.48	3195.98	3168.31	2978.9	3303.58	3474.7	5372.92	3702.11	3892.84	3696.16	2209.94	2398.91	3314.42	3410.95	3290.5	3836.93	2166.92	5911.5	3951.25	3595.49	4021.2	3078.63	4230.62	3894.8	4212.03
Ala-Asn-Arg-Val-Thr	7173.21	5341.14	6087.57	6007.16	6759.26	3545.83	5196.87	4779.84	5116.3	4216.17	3486.81	3569.05	1323.54	3054.57	1409.2	1146.64	1899.91	2026.64	2474.97	2024.24	910.66	2791.45	853.3	1266.6	3859.32
Val-Ala-Phe-Asp	830.16	1406.22	1293.76	1607.64	1552.57	1685.67	1707.83	1398.37	1842.18	2213.19	1816.73	1343.86	1186.91	1228.51	1396.1	1512.18	1610.59	1667.25	2009.33	1815.38	1431.03	1687.76	1638.03	1335.8	1543.84
Pro-Glu-Arg-Val-Lys	2387.66	2707.19	1939.88	2707.71	2349.84	1888.33	4167.67	1565.51	2526.61	2257.69	1997.91	2049.99	1616.51	3670.25	2148.85	6288.41	2117.86	4523.83	2366.36	1874.04	2573.76	2951.79	2064.15	2593.52	3258.79
Thr-Lys-Phe-Ser-Val	2173.94	3085.16	1286.35	1755.84	2534.19	3472.94	13169.38	2802.89	6525.17	5306.44	12354.95	7648.15	6211.75	3966.05	12180.52	11614.5	13417.37	14554.91	17001.19	9839.46	15662.13	8996.45	13466.06	12300.78	10376.96
Asn-Leu-Pro-Ile-Asn	4126.13	4315.48	4649.74	5660.61	4477.77	5859.63	5115.17	5675.95	6308.19	6831.37	6504.74	4963.32	2844.17	3797.82	4849.22	5341.26	5054.55	4958.64	5214.01	6618.98	4456.16	5223.69	6850.96	4891.28	5665.84
Leu-Pro-Arg-Leu-Pro	201426.25	193580.12	159994.48	221352.77	210220.68	212004.77	200753.28	199868.15	217214.49	236353.72	210586.39	162280.19	144029.47	179259.34	164945.35	170929.3	170808.74	174414.68	174854.97	219594.28	135250.75	163231.36	201041.16	181540.99	179159.51
Phe-Gln-Arg-Lys	2299.89	2396.21	2382.13	2384.76	2404.34	3459.39	3063.7	2737.22	2891.3	3700.82	3244.06	2520.9	2241.82	1986.66	1975.38	1915.81	1894.36	1892.14	612.5	2799.92	1773.48	2284.75	3289.92	1198.38	2298.2
Leu-Asn-Ile-Leu-Thr	8301.29	2554.02	7250.98	3038.11	7160.54	1950.93	5710.8	7461.66	1920.7	9077.33	9385.12	9617.89	8916.35	9457.61	8821.95	13022.2	9209.83	19772.58	8926.82	11915.91	9782.26	12639.42	12691.92	11033.2	14028.04
Val-Leu-Leu-Ser-Cys	25004.9	21858.0	23773.67	21851.63	22701.66	17659.79	20772.33	17580.58	16823.05	19038.73	12536.79	14160.5	11094.7	11109.4	11538.53	9260.15	10629.69	11825.68	10790.58	9111.39	7533.88	12658.91	10584.72	10118.56	11181.81
Lys-Arg-Leu-Glu	6944.44	4505.06	4018.61	3015.69	7670.34	2218.76	2020.08	1412.47	2417.49	2161.91	1691.53	1776.64	2798.22	1393.78	1241.81	2014.6	1499.17	352.82	1110.48	1973.16	2145.78	1642.11	839.77	463.12	896.87
Ile-Phe-Ala-Gly-Lys	1903.41	1542.94	2308.3	2393.52	1782.33	4249.11	6823.16	5078.76	4628.45	2376.24	3846.86	4434.64	6568.8	6205.0	8205.55	8347.63	5566.53	14224.77	6235.37	8567.52	7310.95	9059.19	5633.11	8681.25	10828.67
Thr-Tyr-Arg-Lys	27894.88	29437.8	26716.89	28894.1	28395.22	29971.43	48067.27	30951.79	33233.06	31830.96	28803.35	32228.81	28146.28	31301.74	30380.82	32176.7	31852.34	50877.64	32002.79	34589.45	32277.76	31323.21	33358.88	30406.56	32046.32
Ser-Arg-Phe-Lys	21737.67	22419.43	22122.46	22308.99	21555.7	22793.66	35373.22	24545.97	22098.05	23956.79	22974.93	21017.18	22870.87	22765.7	21975.24	24992.99	24593.35	39365.24	23466.87	25180.16	24502.5	24758.77	24320.61	27036.2	24935.23
Lys-Phe-Val-Leu-Val	18495.87	14684.4	16499.49	18055.1	15432.04	17278.39	23253.13	19116.19	19383.54	22947.61	22652.57	25172.86	21609.24	22856.67	22866.48	22312.92	19565.8	29601.87	20636.17	26409.45	22864.3	23739.68	29313.88	24555.04	22428.96
Arg-Arg-Lys-Ser-His	22292.81	22998.87	21334.71	24328.61	21084.67	21310.68	31639.17	22850.81	21589.99	22298.32	21440.55	21745.56	21630.87	20779.36	20794.39	21392.75	22676.66	36533.32	20972.56	28062.49	23667.12	24656.29	27372.35	23289.68	23437.43
Ile-Leu-Ala-Ile-Val	4032.36	12626.38	10200.09	9337.12	9074.31	5725.01	4111.47	8278.85	6235.78	8132.59	2905.45	3157.29	8153.34	5750.63	4208.08	3678.8	4248.28	8719.69	4591.52	11438.22	7877.82	6996.36	4587.95	6325.68	5690.02
Ser-Lys-Phe-Leu-Lys	13169.96	13438.81	14179.79	14813.07	13640.69	14234.73	23200.58	15307.07	14467.75	14793.54	13828.6	13617.82	13523.34	13746.87	13795.53	13534.55	14054.38	22305.65	14090.28	14417.62	12829.71	13958.95	14487.2	14236.46	13041.64
Arg-Lys-His-Arg	71592.91	66002.64	53487.01	66347.68	68022.76	70247.94	67622.44	76556.26	75422.65	85459.36	75391.08	54243.07	48540.36	54988.86	56684.68	60522.11	57506.12	59578.6	61356.29	77770.72	47718.77	57821.25	68634.82	59223.21	59272.53
Ile-Glu-Val-Asp-Leu	1063.67	849.73	1639.91	1813.9	2711.7	1936.28	2143.96	1064.21	1767.54	3022.75	1076.14	1542.52	1249.75	1801.84	965.25	1277.55	623.06	2108.03	1020.7	1453.51	1349.88	1269.88	850.07	1407.36	2373.12
Val-Ile-Leu-Asp	35111.33	42415.44	39338.3	45999.05	41748.95	56609.26	52788.71	48478.14	55793.11	60534.66	58113.71	42009.48	36849.28	35838.72	36960.43	38705.68	39856.4	47820.82	36668.88	47669.59	33849.85	37217.03	3602.18	43151.95	35421.23
Arg-Asn-Val-Arg	1095343.34	700012.1	862429.8	688944.18	757969.97	668717.1	610333.94	728328.11	615046.41	763189.84	581962.28	501345.97	445209.39	339577.86	437304.72	336601.96	441718.34	407071.27	330912.58	449410.18	181871.42	437510.97	310767.67	297807.11	366966.47
(Z)-2-tetracos-15-enamidoethanesulfonic acid	87945.67	73782.93	82052.54	76514.78	83804.33	67397.67	442265.53	118936.97	54326.63	56748.19	30775.08	38275.6	42492.04	32218.35	35820.45	33562.81	31664.81	25406.96	36325.42	35465.72	25040.77	46758.4	28324.28	31148.49	288495.38
Arg-Lys-Asp-Lys-Glu	6360.42	5834.27	5582.06	7858.93	6250.87	10423.19	6895.98	9051.53	10543.19	10799.07	8353.54	7039.75	5979.38	4959.43	6175.91	5880.39	6401.48	6921.16	6087.47	8868.8	4981.58	6759.09	9008.02	7327.74	5883.09
"7-[3-(Dimethylamino)propoxy]-6-Methoxy-2-(4-Methyl-1,4-Diazepan-1-Yl)-N-(1-Methylpiperidin-4-Yl)quinazolin-4-Amine"	15675.04	17041.7	11046.48	14803.88	16758.62	22113.42	16652.93	20265.13	21688.89	22084.22	20888.92	16438.79	15934.85	9909.3	15355.29	13906.56	17687.3	17160.8	17202.6	19985.28	13045.01	18479.36	18142.89	10707.23	16367.47
Ile-His-Arg-Arg	22437.02	23090.79	23829.17	23712.38	24379.72	24438.08	36153.48	25928.82	25565.11	24476.67	22973.08	25086.37	24710.4	23183.58	25492.58	25256.16	24412.43	39913.98	26443.84	26127.97	25953.99	27991.51	27234.48	27271.11	26425.66
Leu-Val-Val-Val-Asp	30358.06	22232.57	19386.19	24418.57	26580.07	17903.39	15694.71	12233.21	14293.19	4003.74	15178.54	13593.09	17436.37	7493.45	9663.63	6118.58	3385.23	3877.96	370.94	702.93	1085.77	2709.78	925.01	455.37	1952.08
Leu-Leu-Ser-Pro-Tyr	20211.77	21780.8	22608.67	22239.02	24071.94	16412.6	17786.16	17801.49	16462.72	19404.21	13926.53	14190.92	11238.07	13383.47	12940.46	9661.22	11707.1	15094.01	11396.78	11347.56	11353.24	14176.77	11690.92	11787.11	11237.49
Arg-Thr-Ala-Arg	38959.09	39232.23	37206.3	44296.21	41486.0	53157.97	47550.29	48459.2	54520.51	63825.17	57492.22	41157.17	34974.6	32997.97	34832.55	36721.38	37943.79	43352.29	35571.64	45921.23	30605.94	36774.03	48308.61	40372.2	32145.51
Ala-Gly-Pro-His-Lys	21042.46	23351.19	20771.81	22297.56	22225.61	21904.86	34953.01	22927.41	20949.59	22623.81	22726.8	22426.87	22234.06	24666.85	22318.18	23420.46	25516.93	41092.19	24485.81	24651.76	26432.16	24902.0	24826.02	24932.79	25471.97
Asp-Lys-Arg-Glu-Lys	11440.78	7974.21	8984.97	11586.64	10635.59	14451.52	11822.7	14089.9	14699.57	17090.77	15057.69	10150.06	10119.64	8571.12	9791.85	10800.06	11388.79	10189.33	9750.37	14028.04	9017.53	9498.47	12665.1	11677.98	8221.7
Arg-Tyr-Asn-Glu	2243.8	2194.12	1571.74	2373.11	2164.55	2460.16	2135.42	3239.29	3076.35	3727.2	3027.86	1741.34	1139.59	1651.92	1137.1	1929.11	1378.89	2042.32	1882.6	3089.23	1004.0	2331.75	2240.06	2084.66	1949.99
Val-Tyr-Gln-Lys	2569.18	4232.64	3669.58	5322.03	1012.02	4806.45	8012.56	2163.0	3863.31	1330.45	7779.38	4294.17	3222.69	7524.58	7901.3	5048.74	7960.74	10346.99	7377.02	5686.25	8891.66	10310.31	7452.69	5903.42	8793.83
Phe-Ala-Arg-Gln-Lys	1872.28	485.3	1235.55	2896.28	2271.35	3738.74	2251.02	3274.34	3043.01	4433.45	2618.97	2095.18	2231.8	1775.06	1784.97	2120.87	2015.6	2378.91	2032.66	3349.15	1740.17	2762.1	3334.23	2764.67	1947.62
Lys-Leu-Thr-Ala-Ala	7698.25	12088.93	6840.44	11641.33	11293.58	14039.83	13628.06	16383.46	14599.71	17067.98	18510.6	11243.98	11526.69	8396.73	5348.81	10490.97	12880.16	4892.33	12808.67	14858.11	3950.0	5652.53	11564.26	12771.6	6374.65
Arg-Leu-Val-Glu	6792.15	2108.5	9699.68	11497.67	4182.53	12998.76	8330.88	12424.84	14212.11	20148.44	17972.76	10075.64	8806.93	3286.74	5364.29	5746.29	5020.57	2515.63	8963.59	4092.56	5630.19	11625.12	8813.11	10112.11	9640.5
Val-Pro-Glu-Pro-Lys	8854.09	10831.64	7783.58	11844.48	10337.13	11094.81	10422.02	12602.29	13701.98	14768.05	13146.42	10091.81	11364.26	7745.24	10227.88	8992.01	7278.94	16983.47	10264.8	15006.88	7783.88	10572.88	10051.82	10804.01	7130.52
Lys-Tyr-Val-Met-Leu	5298.76	5090.71	4036.48	5269.85	4937.31	6610.33	4732.89	6787.19	9275.85	7775.84	7164.59	5512.43	1325.04	3947.38	4112.74	6419.83	4422.47	3990.39	4744.97	6690.9	4656.24	6130.64	5048.99	7115.04	4990.15
Asp-Lys-Tyr-Asp	636.22	2272.52	4472.13	4398.08	2604.85	4922.47	6712.56	4784.17	3332.16	7687.72	4440.87	1079.39	940.48	17004.93	6075.03	22896.57	15790.72	9304.7	4322.49	4447.24	8356.97	1749.46	4291.55	17194.84	450.26
Trp-Leu-Lys-Ser-Asn	1400.61	907.25	961.91	1741.38	2093.6	1845.35	2365.52	774.22	1447.95	631.16	3159.21	1713.71	1998.4	2449.77	3097.3	2892.96	2745.65	4906.8	2542.65	2925.66	4653.13	2959.42	3026.6	2951.23	3193.6
Phe-Val-Asp-Lys	3142.87	2674.01	2732.4	3591.72	3061.61	2270.95	9033.31	2650.79	825.68	4221.37	6650.39	6012.54	3035.45	8026.46	3251.22	8029.68	10110.69	13469.96	9377.63	10788.12	7033.71	8765.19	6658.6	6948.97	4545.19
Ile-Thr-Val-Lys-Leu	25523.17	24724.27	23810.83	25159.84	24229.14	32587.03	26127.92	32108.88	29936.37	29900.78	27812.31	24621.62	25181.4	22859.71	23877.39	25090.24	24133.6	28537.21	21201.86	36462.86	20488.29	27231.25	24539.27	26854.6	22657.87
Asn-Val-Ile-Glu	24022.93	22585.9	21935.18	21748.58	20655.46	24411.63	24474.39	20209.17	15491.28	19122.44	14405.72	14367.45	14926.95	16771.08	12854.13	13095.18	16054.35	14257.13	13352.75	12702.1	12864.41	13757.32	10362.66	15774.93	18235.96
Lys-Lys-Lys-Gln-Tyr	16922.81	18845.97	13965.63	19642.91	16848.42	23429.08	18091.6	22380.8	24737.08	27606.4	24352.43	17971.56	14559.77	13365.45	14322.92	16156.46	17394.88	15462.75	15460.62	19843.97	12321.65	14312.65	20312.43	17909.01	13266.26
Asp-Glu-Leu-Val-Ile	2986.97	1779.87	1110.24	2041.19	2064.45	3389.71	2496.04	3055.09	3261.79	4269.06	3130.15	1994.33	1899.83	1047.91	1751.64	1157.46	1816.84	2358.85	1103.35	1267.73	1261.63	2288.61	1174.41	1694.9	1754.94
(2R)-3-(5-acetamido-2-hydroxyphenyl)sulfanyl-2-azaniumylpropanoate	14333.36	11281.98	13137.72	14799.53	14500.79	13071.14	10175.41	10043.44	13453.86	13132.51	17206.9	17801.15	19538.92	11646.88	15466.55	8129.61	14552.39	16191.84	18709.94	22567.2	16464.64	22854.59	19092.19	16661.24	21271.36
Abu-Asp-OH	40633.48	41025.72	23241.62	45361.25	57695.52	75956.27	74497.13	50886.08	62959.52	13337.31	53275.98	80545.41	90484.42	59927.59	97610.7	72858.97	79819.43	23179.43	52490.09	77945.24	61269.19	70943.64	46112.38	66459.16	105543.03
Ile-Leu-Arg-Lys	1762534.79	1915991.47	1708875.63	2018383.92	1857094.62	2254667.6	1979356.0	2216405.67	2221374.15	2451309.7	2110625.07	1830168.55	1806729.75	1656413.22	1733919.63	1741323.5	1836204.32	1804341.38	1762000.53	2126457.83	1623607.28	1902249.85	1928585.69	1927540.01	1831677.04
Leu-Gly-Asp-Val-Ile	3905.49	4512.0	3775.94	4296.82	3645.08	6023.24	4331.5	4968.38	6671.7	6416.62	5492.26	3853.46	3215.21	3093.11	3001.92	3645.17	3879.66	4116.88	4260.38	4509.59	2157.75	3397.69	4694.95	4587.95	4366.99
Thr-Lys-Gln-Lys	10848.4	10881.34	10050.17	11824.76	11141.77	15406.34	12384.87	13516.96	14439.55	16455.75	15750.37	11282.92	9628.63	8982.62	9716.28	10080.65	10613.29	11750.84	10037.12	12358.46	8342.4	10046.93	13443.29	11187.34	7403.34
3-HYDROXYDEOXODIHYDRODEOXYGEDUNIN	1539.65	3229.09	826.98	3796.66	2565.95	4406.23	5540.23	1115.84	5127.13	7239.86	4033.01	5784.41	5208.85	4240.84	2514.48	2439.83	4087.64	7844.91	5618.88	4354.6	5631.87	1350.53	4140.88	3411.77	5492.75
Pro-Asp-His	54181.07	52701.1	51933.13	52788.41	50888.55	50690.83	43570.83	52419.34	48443.57	46405.16	55444.36	57634.24	48270.6	50461.25	48027.95	50219.92	51206.04	38839.77	42150.72	52433.3	45227.28	55129.24	48987.05	51353.61	51441.15
Asp-Met-Leu-Asp-Leu	34927.83	43248.84	37855.46	43937.08	40476.42	38447.06	27140.23	36442.02	28166.87	38935.32	21622.93	29229.16	21853.27	33823.19	40691.01	26491.7	23607.49	25779.21	29059.42	20713.93	32745.02	28151.69	25860.48	21881.09	21555.38
Asn-Ser-Lys-Ile-Val	4970.5	7792.92	13268.47	15829.62	11401.9	12771.85	14088.88	14922.27	9850.83	15585.14	8748.22	3313.55	8993.52	10584.84	6887.14	4915.56	9773.03	8647.67	8006.18	5785.74	7924.99	3481.37	1921.8	6154.51	1183.39
Arg-Leu-Leu-Pro-Ala	2274.64	2712.53	3346.52	3822.12	4393.82	3784.85	5796.96	3044.45	4891.22	5576.01	8146.7	7786.18	7426.18	6753.35	7669.84	9640.23	5748.41	14230.51	9066.65	8745.76	8544.82	8580.26	9501.79	5904.73	10759.46
Leu-Lys-Ala-Val-Val	32305.33	31862.75	34297.45	33411.57	32829.99	40783.44	35050.01	41957.36	39873.2	41261.18	38435.97	33346.62	39021.86	30591.33	32860.35	36294.91	34501.43	35260.8	30200.87	48155.31	25918.05	35552.35	34124.73	36334.73	31177.67
Ile-Tyr-Lys-Ile-Arg	3440.8	1537.74	1234.65	3503.83	5731.03	4370.16	8402.63	6240.53	5010.99	4515.43	3356.13	4159.29	3126.76	7157.67	5465.93	3897.05	3660.6	11360.22	4571.12	1984.46	8254.42	4092.72	4058.36	5914.43	5041.21
Ala-Thr-Ile-Lys	45158.87	44516.94	41780.42	47620.06	45813.58	59691.96	54026.78	50801.72	54051.19	64984.91	59189.5	44459.17	38307.79	38232.07	38695.71	42595.53	41018.07	49233.71	39586.94	49976.1	35809.39	39936.99	50419.58	43586.41	35561.77
Lys-Gln-His-Lys	1992.58	4303.41	3131.78	4889.34	4209.79	5719.44	4239.95	4732.18	5600.67	6620.6	5232.68	3607.54	3328.64	2708.95	3971.06	4105.72	3506.88	3540.22	3848.35	4200.99	2408.35	3821.08	4542.05	2642.75	3090.77
Ala-Asp-Arg-Arg	2127.97	2181.67	2094.45	2104.23	1873.73	2563.81	2399.08	1765.9	2386.4	3359.62	2805.88	2078.09	2157.64	1965.44	1762.43	1306.37	958.01	2445.4	1881.86	1896.29	1680.81	1624.67	2564.4	1825.2	1905.98
Leu-Leu-Lys-Gln-Gly	13326.47	12087.78	6638.5	13367.26	15585.36	11767.67	22187.6	18183.58	14576.59	13151.15	18014.88	24855.66	16590.07	20854.11	24480.2	21286.18	25770.41	42027.28	28323.76	29937.72	25135.78	29042.43	31089.26	34312.19	28118.48
N-methylundec-10-enamide	4571.19	4212.75	3658.14	5190.64	3901.5	6887.51	4489.2	5118.96	4001.64	6624.37	6380.78	4449.38	3371.23	2484.77	2814.42	3787.53	3680.78	3887.9	3415.4	4768.26	2944.88	3816.25	6666.54	3158.57	3135.91
Leu-Ile-Thr-Arg	38813.29	42541.04	48186.44	46593.97	45293.61	46208.39	47475.63	50493.83	37828.38	47691.93	45192.31	48203.65	47967.12	43294.81	44997.18	45305.66	40644.64	77011.62	42799.26	42913.36	44296.04	42801.56	44415.27	47023.63	43980.37
Phe-Ile-His-Arg	140086.19	134202.9	160932.2	151118.11	164603.75	98052.52	101636.61	221530.3	164311.39	175063.1	122143.46	167886.59	116440.76	136392.32	146526.96	143286.77	190318.54	184272.52	178119.33	155427.54	111544.39	172164.57	88204.23	158114.14	172008.12
Ser-Ile-Lys-Gly-Lys	12078.77	13040.23	12410.37	12171.33	12048.2	13034.83	20673.19	13673.4	12934.14	13467.24	12487.99	12503.96	11720.73	12587.93	12324.61	11643.39	12619.83	20473.7	11866.81	11809.95	12722.16	12959.03	12523.66	12243.69	11260.11
Lys-Asp-Thr-Lys	15972.52	16867.43	14408.78	12373.98	13250.26	23425.82	20093.6	27862.49	9479.43	15294.93	12337.52	17665.82	21528.23	19553.79	22586.11	20532.46	17007.14	14606.84	13265.06	16552.48	14225.06	19503.37	13416.29	22477.58	20865.29
Pro-Glu-Glu-Leu-Gly	13038.45	8116.48	13568.03	6547.06	11286.45	16427.52	22614.1	13758.12	12772.8	15603.46	14215.67	11341.29	3764.18	14455.15	16638.84	11507.98	11000.65	12845.67	10524.38	8716.95	9907.9	5560.37	10451.7	10002.22	9329.85
PGF2 dimethyl amine	4911.88	5259.0	4335.74	3851.41	3908.23	2080.03	2790.43	2362.46	2587.92	4131.2	1015.92	669.41	1261.47	948.34	586.06	1163.53	1071.91	1601.07	1586.18	518.54	983.01	1564.91	597.52	1583.42	1497.14
Arg-Glu-Ser-Leu-Glu	4266.13	2595.61	3669.88	4589.51	5840.95	2388.33	2015.05	999.23	805.73	1797.98	2302.01	3665.94	2166.49	2164.91	1150.62	1589.03	2171.97	3020.23	2765.95	1271.24	2039.43	4645.39	2244.62	2092.84	2372.72
Leu-Lys-His-Glu	17123222.54	16297803.22	16178139.46	16819422.5	16530475.46	11681468.6	6436155.25	12458929.17	12409880.24	16063000.74	67299.13	10422986.71	8356878.17	16764074.25	8137163.34	10458326.66	9662626.64	9513506.12	6121384.99	795089.71	242055.56	11257504.53	4057054.5	9900625.87	8492161.65
Thr Tyr	104022.25	86952.52	61735.42	119650.51	71741.36	179870.78	94636.59	104955.99	199634.5	196580.33	85218.38	110758.03	129688.97	1826.8	145172.08	162605.02	65063.52	90985.29	151689.51	35386.04	51983.31	96311.99	39356.6	86366.47	32838.81
Ser-Leu-Pro-Tyr-Ala	52375.31	33976.7	46454.41	42934.56	44496.03	32589.23	32808.87	29374.55	30019.13	35065.11	26489.5	23311.23	21343.28	28908.47	18096.77	27537.9	23621.37	24543.23	13295.19	20574.78	21568.69	30804.9	17886.73	20921.97	15559.62
Arg-Glu-Ala-Phe-Arg	3601.12	3620.92	1919.95	3131.8	3172.08	5189.07	4402.09	4758.08	4400.51	6273.79	5553.39	2559.41	3016.92	1773.09	3218.34	4157.94	3831.4	4575.23	3657.62	7535.55	1268.61	4875.02	5562.29	3756.21	3654.41
"(2R,6S,7R,9R,12S,16S)-6-hydroxy-15-[(1S)-1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one"	1002.47	1162.13	1638.64	2659.8	2340.77	2900.51	4193.32	785.62	2555.36	3796.66	4207.2	3678.28	2841.29	2896.82	2083.75	3010.46	2859.82	2731.87	1301.38	2613.77	2205.25	2405.06	3291.33	1872.44	1012.56
GW-9662-d5	3262.07	4206.89	4196.36	3240.63	4842.94	4985.44	3671.84	4063.73	4372.58	3116.91	4797.36	4787.01	3440.84	4188.35	5981.6	5237.02	5358.97	5082.55	4787.02	5218.12	4080.7	3715.67	2671.73	3886.42	4201.3
Asp-Pro-Lys-Ile-Ala	5807.39	5950.98	4885.7	6601.62	5583.5	8627.16	6428.17	7478.02	8959.93	8965.79	8014.02	5553.21	5102.1	4246.18	5227.18	5501.25	5665.39	5041.15	4929.65	6750.55	4280.16	5203.29	6814.64	5913.75	4865.75
Phe-Tyr-Leu-Leu-Tyr	10620.33	10204.88	10353.49	11994.15	10974.27	13979.23	12428.85	13024.92	14263.14	16418.6	15493.93	10785.44	9402.48	7978.82	9675.76	10752.58	11649.6	11551.82	9891.56	13507.71	8578.35	9910.39	14189.05	11395.29	11423.61
Carbaprostacyclin-biotin	44936.37	44236.73	42362.06	42043.91	41721.55	40809.11	65050.01	40666.97	40564.96	42117.88	39167.03	42049.35	40721.84	41003.62	39794.53	39139.84	37309.92	59335.53	40318.54	38583.24	38827.25	37542.14	39064.45	39417.56	37160.63
Tyr-Ile	3604.92	3821.37	4150.05	3404.19	4084.95	7026.07	7423.13	7431.89	5032.41	8161.77	7853.75	3797.25	755.8	44546.54	5519.08	72610.37	26777.88	12207.05	6732.89	4807.08	9554.58	3056.26	3285.52	42350.65	2436.06
Ser-Gly-Glu-Leu-His	3325.81	2744.23	4681.61	2323.41	3624.32	7079.08	6275.42	6478.9	1528.76	7344.48	7999.35	3789.58	525.98	17773.92	7655.06	19697.08	18977.66	13585.54	7582.84	2882.52	8273.81	2455.4	4359.67	13962.08	3144.25
Lys-Val-Ile-Arg	23365.74	27503.53	21379.64	27867.21	23489.26	35280.84	26288.32	30797.79	32999.06	36129.51	30931.28	22763.77	21536.47	18974.38	22024.15	22135.58	25258.78	23027.16	23349.13	30156.61	18669.55	24525.67	30738.74	25828.39	22920.54
Leu-Tyr-Val-Lys	2515.75	12434.11	12570.23	1083.35	2520.3	13736.35	23055.81	15104.31	17627.23	19720.59	16072.18	22336.17	19100.22	20691.95	19137.22	21062.17	21554.02	36422.05	24590.65	17888.49	26859.34	22118.43	23576.06	22108.5	24097.22
Leu-Leu-Leu-Ala-Ala	21675.89	14427.91	17280.37	19543.24	20473.35	25932.16	20147.76	22097.34	23747.2	23229.66	28117.61	16782.74	17398.31	16778.62	15046.34	17526.97	14305.87	15203.94	17410.21	24221.28	12981.3	15219.02	24425.84	14367.87	11838.67
Oleic Acid-biotin	9.59	6.75	4.98	7.95	5.1	4.87	5.58	4.9	4.93	4.87	4.87	5.95	4.14	511.05	4.78	5.36	4.89	206.24	145.59	32.0	198.04	102.39	102.79	141.98	33.61
Ser-His-Thr-Arg	12355.29	9539.7	5701.47	8043.18	7624.64	5130.55	1283.82	2799.31	5196.12	6452.06	3952.99	3710.68	3302.38	3326.63	5753.43	4005.24	4433.74	4683.51	5880.88	6325.94	7390.29	7976.04	6792.14	9097.86	16416.39
Lys-Thr-Gln-Lys	120430.51	109827.83	100427.94	107970.06	128675.64	77259.58	75552.08	70722.74	75965.28	89160.23	73750.58	78105.48	78225.44	88082.78	62693.01	81566.24	68651.7	66756.51	66265.78	53309.49	65027.47	74953.34	57639.75	94080.58	81024.72
Asn-Leu-Ser-Pro-Asn	41792.19	41932.86	40928.09	42366.29	42357.27	39473.6	62333.33	42954.34	38371.62	41744.1	24513.66	41873.8	45022.36	39813.5	42368.3	17979.56	30532.12	26025.77	4778.23	13332.36	27287.4	26864.65	781.07	29970.63	32074.21
Ser-Thr-Arg-Asp	5850.66	9137.0	12082.96	9859.61	8072.82	21282.46	24359.68	12276.18	8662.77	25400.88	17486.27	9658.15	4856.93	60704.65	21904.5	76804.25	51971.04	23857.18	13199.27	13673.32	23377.69	7163.61	10365.05	51829.13	8715.35
Arg-Ser-Lys-Arg	16736.23	15629.61	15685.62	17471.43	15593.41	15450.77	25973.85	16896.33	15623.55	16813.11	15765.24	17850.01	16542.31	17435.51	15680.53	16415.29	14929.32	24186.9	15825.87	16462.34	15063.99	15588.73	15291.51	16298.45	14506.65
Boc-Pro-DVal(NMe)-Val-OMe	4419.73	3314.56	2877.74	3583.19	5386.18	1328.73	1705.06	520.64	2943.47	3005.52	1110.87	1120.01	880.48	1514.66	995.83	665.03	1917.87	845.42	1125.95	1551.7	979.15	746.18	534.12	897.12	617.63
Leu-Ser-Glu-Lys-Tyr	3201.15	787.34	1334.54	2731.23	2679.51	3475.96	3246.99	3009.67	3271.33	3372.53	2181.46	3296.4	3514.57	3105.01	2993.06	3043.41	3533.04	1271.57	3541.15	1497.65	1372.54	3165.79	2951.5	2286.92	4379.17
Ser-Arg-Glu-Val-Ser	12573.21	16795.71	8575.94	8304.34	16726.88	8263.41	3362.56	7242.04	14070.77	6633.61	7122.41	7934.26	6849.83	7022.31	16476.11	14588.63	14599.53	13114.34	16608.05	8877.98	9285.66	22054.67	6655.21	12673.89	35286.64
Ala-Lys-Gly-Arg-Val	9468.68	10671.21	10114.87	8643.59	9063.01	13267.13	21455.55	14166.18	15075.14	16596.57	22422.15	26771.07	23813.41	22314.61	26303.24	26056.2	29837.93	44168.91	28734.64	28862.94	29549.9	26822.84	29512.68	25676.73	32305.24
"(3'x,5'a,9'x,10'b)-O-(3-Hydroxy-6-oxo-7-drimen-11-yl)umbelliferone"	3161.27	3912.29	3694.73	3968.46	2759.11	6902.59	4364.65	2410.84	3602.98	6260.05	2744.12	1952.71	3236.74	1387.37	1770.99	884.18	2185.74	2662.66	2716.48	2116.64	1520.99	1682.34	3137.34	2439.77	2263.19
NBD-FTY720 phenoxy	816.33	1058.55	2588.73	1514.88	1764.73	3555.82	3808.38	2719.13	685.0	4472.68	3825.44	592.5	673.32	11549.66	4136.61	15387.82	9252.89	4962.02	2755.16	2206.03	4819.55	426.78	1702.88	10167.96	1824.1
Leu-Ser-Ile-Arg	19478.46	26083.24	27969.8	30539.33	28289.72	26616.17	38144.65	33798.07	32818.2	31105.36	33553.58	33050.78	35942.78	32961.85	36222.55	33920.51	35191.35	48183.38	33934.03	31993.31	34737.44	33303.78	32555.72	34356.55	30948.74
Thr-Ser-Arg-Ile-Ile	54149.24	54745.65	51787.88	55356.32	53051.61	53332.81	84624.47	55041.09	55605.66	53207.34	52739.07	51672.58	56126.67	56960.49	54577.55	55698.77	50845.28	84668.14	54423.08	52404.94	55122.04	52043.79	52008.87	51244.76	51150.48
Pro-Ala-Asp-Lys-Thr	14311.05	12934.93	9465.44	13303.46	12482.45	22070.78	18990.43	8831.33	13896.18	23148.64	9568.23	6599.02	11954.36	6946.48	7494.5	5652.66	7284.2	10015.36	9666.55	8638.46	3143.38	6210.69	12423.26	7816.51	8760.16
Phe-Lys-Gln-Lys	15336.31	13295.97	10839.71	9194.94	12871.42	9928.95	8264.45	10866.35	10011.3	9773.82	8554.97	8693.42	6507.8	6465.74	6529.0	5211.93	6309.68	6370.38	6236.18	6241.18	5924.51	9041.52	6065.33	5156.75	6252.7
Asp-Val-Ala-Ser-Glu	862.05	3861.33	4005.21	3972.54	3813.87	7370.2	8081.88	5844.95	4522.17	8511.83	6259.78	2762.88	1363.46	20868.8	6794.11	28384.23	19954.8	9114.16	5534.21	2269.59	8956.88	658.47	4023.25	20838.94	2937.69
Leu-Phe-Asn-Asp	2230.55	3287.73	4654.56	786.9	3928.06	7096.72	7429.19	7343.75	4220.45	9449.06	6116.72	752.93	1256.63	18164.97	5605.92	21170.26	21098.89	9100.51	2852.05	3672.62	7344.13	1697.64	3631.72	11315.7	1383.0
"(1S,9S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene"	27616.74	29007.4	21910.45	31073.54	27994.41	32865.23	32785.11	40962.16	34600.54	42152.93	38458.84	26467.56	25206.39	23351.83	28626.14	28036.78	30848.03	27695.9	29758.93	34597.45	21068.69	32946.69	33575.24	32432.18	26941.24
Tetranor-12(S)-hete	33451.44	38348.3	29354.46	42446.27	34293.71	44959.83	43854.02	51575.15	47181.81	58744.94	54431.55	39238.47	38333.19	36727.31	42405.03	44320.06	48872.61	44762.43	45977.67	56225.43	35440.3	45952.52	52812.69	52184.8	40322.07
Ser-Leu-Lys-Ala-Ser	34648.84	28140.33	33852.27	35860.64	42729.47	34944.12	32557.12	43129.77	29977.05	39081.35	30317.71	49561.69	41693.67	39736.42	49955.85	46320.55	50196.42	47209.06	40241.72	43601.61	21758.4	53184.77	24965.0	45152.76	44185.51
Asn-Gln-His-Arg	20015.12	20634.67	20148.18	20685.07	19488.83	22126.64	20268.66	16512.25	11986.59	19316.86	16333.06	10604.45	29148.54	16319.46	16453.03	15637.14	17667.97	18471.57	16453.88	16521.37	16263.82	16773.0	18280.9	19534.71	18073.41
Asn-Asn-Leu-Asn-Val	7500.08	6267.37	8127.58	6635.57	8543.12	6729.41	5972.75	8505.64	7230.11	6147.72	6880.74	7460.2	5614.88	5460.39	6649.8	7536.02	6461.49	6240.16	5328.47	5649.31	3628.19	8813.69	4289.01	6272.94	7655.23
Lys-Lys-Leu-Phe-Tyr	9052.14	8868.19	7652.35	9781.26	8483.9	12035.05	9796.68	11854.2	11726.45	15576.7	12388.3	9159.0	8209.14	7123.43	7657.91	8121.73	8761.47	7700.96	7794.19	11046.26	6363.93	9702.99	11937.31	9290.35	6875.11
Thr-Ile-Pro-Ile-Thr	17842.33	15629.02	17848.93	19169.53	18964.56	20187.8	32602.42	22458.4	23064.57	24412.54	30952.07	31072.52	35695.0	33790.74	31407.26	35423.99	33794.08	52204.75	33776.01	35409.46	36102.54	35738.68	37926.18	35521.83	34401.76
Ser-Tyr-Tyr-Gln-Ser	5762.87	7110.74	6961.35	7588.14	7634.23	6661.09	9570.75	7197.54	6102.39	6872.44	10181.3	10866.63	6782.71	7357.96	7182.99	12539.78	11813.28	14417.74	9049.84	6112.72	7055.87	5730.42	6760.84	5273.38	3048.91
Lys-Lys-Leu-Ala-Gly	7662.15	9579.04	8723.89	9768.56	12168.17	10371.2	19688.02	12551.11	12335.94	13477.36	17390.26	15491.44	19699.26	24004.78	21133.52	24371.72	24671.3	35800.19	22285.12	15440.07	23676.88	23569.15	21288.65	25992.17	24173.45
Ser-Arg-Ala-Lys	11186.34	10619.81	10020.96	11470.17	10772.54	10016.94	13670.22	12293.22	12988.56	13272.49	14931.98	12590.26	13553.94	14568.96	11673.78	14200.05	14171.8	21425.55	14327.25	13417.33	17088.94	13139.18	14389.62	16350.13	15763.32
Arg-Ile-Val-Leu-Val	32796.77	31277.68	33861.95	34428.7	33634.33	36720.94	51282.37	37661.86	36373.92	39821.42	36338.16	39180.27	34689.97	36223.22	34908.2	35050.26	34883.17	48493.49	33592.34	36933.44	32811.71	34603.31	42127.62	35312.72	35200.75
Ile-Glu-Arg-Asp-Phe	29725.45	30536.65	32627.6	31401.73	34169.2	17745.74	21415.42	49821.97	29983.71	34674.93	23086.38	33239.92	21866.62	27249.9	23932.58	26359.65	41183.56	41089.29	35790.83	32612.49	20823.52	28426.3	14742.46	23089.44	23035.54
Val-Gly-Lys-Ser-Leu	9020.22	7495.21	9245.35	11619.56	9158.91	11606.42	16822.25	10991.93	31998.21	11111.43	14395.05	13755.4	12668.38	36947.12	13294.01	12039.9	12731.95	20136.54	12660.52	15992.9	12832.98	37456.25	15345.17	13033.2	36890.37
Pro-Lys-Lys-Val-Gly	687.52	750.81	469.96	622.5	804.62	653.76	655.53	448.74	655.0	540.98	675.68	645.71	727.06	459.11	923.34	721.86	1035.25	2802.04	1290.72	578.91	1396.52	1851.4	1853.49	1303.71	1683.63
Asp-Asp-His	12635.94	11239.79	11460.7	11794.05	9222.59	15393.51	11610.66	16243.97	15814.63	13041.99	13005.82	12693.68	9652.45	15265.0	12413.44	13044.05	16905.21	13665.16	12064.46	10399.27	7205.6	8571.67	6709.12	11606.6	10884.49
"6-Cyano-7-nitroquinoxaline-2,3-dione"	13080.79	10430.21	9715.79	12100.08	10149.84	11002.52	16102.4	12232.22	9542.64	12150.35	17504.25	15002.86	14327.42	16866.67	20076.01	12263.87	18121.52	20264.7	16977.77	17068.75	20761.05	14465.26	19000.15	14794.39	20002.46
Ala-Leu-Val-Arg	29346.74	29854.94	29414.46	31452.38	31921.46	32038.51	50474.64	36281.59	36540.52	40173.53	48778.89	46110.34	47779.3	49416.13	45533.27	49083.67	45709.63	74615.39	48295.48	49155.85	46443.63	47599.07	51806.29	51467.09	47141.75
"6-(2-Acetamido-2-carboxyethyl)sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid"	1025.82	1345.86	3902.33	3404.45	3604.91	7531.3	6650.66	5586.33	3654.57	6734.16	7470.2	1947.29	853.07	19891.3	4213.7	22115.64	21928.98	12116.36	6768.74	4692.12	6596.03	3344.82	3564.58	15426.56	2314.59
Medica 16	4753.8	51909.92	211058.52	8298.07	8776.74	4152.52	7409.97	3397.27	6099.98	3900.67	5240.85	7886.73	7218.28	8570.89	8070.65	10225.61	7398.27	8680.32	9132.53	9027.62	9170.72	7309.53	531.54	1124.25	9557.09
Abu-Abu-OH	4494.05	3436.94	4711.62	3887.71	2000.46	2723.13	2642.67	2601.73	2594.43	1759.7	1356.83	4986.93	4264.61	4613.75	3808.5	5147.94	4479.09	9631.98	5167.37	1909.26	3427.98	6805.21	4430.37	2659.51	3959.15
Lys-Leu-Thr-Arg	30951.43	24617.66	32058.6	37259.72	34420.05	37644.27	52322.93	38480.55	37195.98	45586.55	41573.58	41226.72	42391.85	45639.17	51797.76	39635.27	36877.15	61504.04	38626.27	49619.89	44806.67	47578.12	48349.38	46312.77	42823.1
Ala-Val-Lys-Arg	30218.33	31813.45	35321.02	34990.58	36775.82	40531.05	60033.4	42430.2	43465.47	45309.49	50580.72	53647.96	52935.02	52532.69	51730.03	54768.37	52837.47	82088.07	51832.09	54268.04	52286.46	50886.67	53408.09	52487.26	50521.16
6-Desmethoxy hormothamnione triacetate	31164.54	25540.49	31097.9	36655.44	40831.73	29569.28	32498.18	46091.08	36019.0	36118.1	27293.59	43324.35	41849.49	37225.68	40869.09	42680.48	45646.58	48877.87	37650.21	41898.59	27176.21	50306.94	22676.54	43336.01	33945.22
"9,10-DiHOME-d4"	20192.39	19642.37	17402.13	22709.31	18064.85	22792.73	21901.53	22300.0	22896.5	27985.85	20306.18	18312.81	16589.5	15550.16	14174.85	18440.99	18411.39	19949.52	18456.65	22509.97	16798.15	20363.63	23277.02	19706.41	18183.15
Val-Asn-Leu-Pro-Ile	2046.51	2881.43	2587.83	3434.1	1044.08	3293.07	3435.57	3919.01	4569.26	4517.79	3341.92	2747.63	3152.78	2162.69	2783.51	2847.43	2961.46	1476.94	2613.85	3525.24	2475.65	3571.25	3036.89	2768.63	2983.23
Leu-Leu-Leu-Leu-Ser	1259702.85	1078133.79	1073472.05	1166478.29	784308.83	848185.58	1228390.02	983913.6	1002669.9	1124355.27	772907.63	908619.07	762326.18	931499.82	799540.01	779037.17	717378.22	805446.91	756960.22	684978.51	617096.49	949794.32	625963.91	707026.06	715665.66
Oleyloxyethyl Phosphorylcholine	8047.39	7217.45	7162.31	6647.46	7239.61	7122.06	5434.1	6253.03	6704.58	7132.67	5200.76	5598.92	4468.68	3473.96	4170.47	8138.47	3766.74	4097.72	4231.14	3582.01	3119.62	4651.24	3852.07	3617.7	2966.96
Tetranor-12R-HETE	16491.29	18440.48	14145.78	18602.69	18410.78	21442.53	13560.95	18678.19	21042.46	23966.34	25689.55	16180.5	14502.8	8930.23	16367.94	7908.81	16501.67	16800.24	17663.63	16563.86	13698.67	19475.87	27798.09	16188.69	12055.28
"(13E)-labda-7,13-dien-15-ol"	2021.28	1097.04	2459.11	1118.88	1337.7	1623.96	961.61	2209.27	1824.08	2018.11	1217.52	2902.7	1248.14	657.79	1472.33	871.15	1855.11	996.84	891.36	742.94	2085.44	1664.31	3154.4	2002.4	1997.11
"(3aR,5E,11aS)-6,10-dimethyl-3-methylidene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2-one"	6330.35	10626.85	8302.81	6682.2	7298.84	12248.3	12078.56	11171.41	11331.2	9611.53	7469.28	6851.13	5224.96	6371.56	8522.54	9087.72	8322.69	9371.0	9706.0	9469.53	8146.47	6871.78	6720.32	8359.86	6987.35
TG(14:0/14:1(9Z)/14:0)	4320.38	4269.55	5434.73	4760.42	4606.65	3564.26	6468.94	6234.22	4625.26	4939.99	5287.79	5886.5	5630.43	6446.34	5993.1	5756.89	4007.88	5163.86	2664.62	7310.57	5797.7	2742.59	4081.41	2564.44	3166.23
"TG(14:1(9Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))"	6371.48	2386.06	5404.3	7074.8	5456.74	5893.89	4498.03	5152.45	8501.78	35755.71	6557.74	5557.96	6647.07	5987.86	5607.38	4829.09	3474.57	4412.31	5077.05	4838.63	5605.87	3683.67	2935.93	6351.61	4504.35
TG(10:0/18:0/i-16:0)	6190.2	4757.96	3988.14	2372.89	5164.06	5200.97	4590.54	3383.27	2296.87	2932.65	778.85	1112.28	1348.05	1939.55	415.33	1749.87	1060.48	1082.86	1490.29	1206.92	733.51	869.52	1734.99	840.98	525.17
TG(10:0/20:0/8:0)	2849.34	244.54	2230.05	1384.36	212.96	249.1	365.58	4145.05	4314.62	2421.35	1631.64	8442.15	2606.45	1491.7	705.74	1334.82	1574.65	1682.01	1817.22	2105.95	1728.07	2234.39	1810.14	1316.53	8528.08
"[(2S)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate"	791215.75	596393.83	642881.82	636157.56	679740.41	435382.14	457108.39	480418.66	398968.44	463366.64	270493.08	300655.73	416895.16	174054.1	207529.89	127523.84	158981.01	203355.44	170992.6	127480.12	121110.36	250110.49	120362.63	124758.84	160998.08
"2-[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1,4-dihydronaphthalene-1,4-dione"	2421.46	3213.08	3006.07	3120.28	3769.62	3992.87	3537.91	4292.5	3065.23	2949.41	2395.53	4182.53	3790.19	4481.03	3566.01	3670.82	4193.6	3494.98	4097.66	3667.42	4016.09	3955.26	3858.24	4478.42	4206.47
Phenylalanylcysteine	5143.19	5147.49	7199.12	4936.28	6684.4	2759.7	951.49	2229.96	2325.63	1596.1	841.19	7210.14	18554.27	2544.62	10321.22	3517.83	2345.72	3118.69	5944.97	1212.36	3033.21	9702.59	4967.49	3093.74	13166.57
"(3r,7r,11r,15r)-3,11-Bis[(5r)-2-amino-4,5-dihydro-1h-imidazol-5-yl]-7,15-dimethyl-1,9-dioxacyclohexadecane-2,10-dione"	21011.41	23020.2	23951.23	24063.48	23436.31	28510.57	43471.57	31075.2	28538.19	32554.04	32972.28	36404.18	33883.77	34177.45	31471.97	32471.65	30700.37	45466.8	30031.38	28993.6	29775.47	28721.13	29728.21	28526.33	24702.34
gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine	73436.38	78373.53	79771.44	76852.19	79664.6	81790.87	118150.11	89682.27	82456.73	84901.07	240274.81	85389.06	244198.82	89801.92	88331.38	80287.33	90770.47	128020.2	88401.47	91909.83	92167.66	87373.45	90606.26	81763.89	82532.44
Sinapine	3055.43	3256.46	3384.22	2633.19	1694.73	3212.74	5099.0	3285.86	5521.19	4428.64	2359.76	1188.88	5523.27	3646.17	2273.92	4225.21	1817.92	6697.6	3848.14	3220.03	4622.98	1362.79	4408.69	4108.03	4286.35
"(1S,3S,4S,6S,7S,8R,11S,12S,14S,15R,16R)-15-[(2S)-2,5-dihydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-4,6,14-trihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid"	4677.84	4159.08	3277.32	4328.83	4059.72	4265.56	4405.41	4660.34	5239.3	5546.31	5402.8	4048.86	3554.54	3330.52	4054.47	3616.58	3154.62	3844.87	3824.56	5155.99	2929.02	4413.69	4359.48	4556.26	3925.24
"3-[3-[3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]propanoyl]benzoic acid"	38506.69	34375.79	34989.13	31483.47	28480.92	21890.27	21662.43	26931.77	27345.58	33535.56	43922.39	38386.87	34735.0	39479.53	14230.57	34189.66	36887.02	32778.62	30431.77	38240.54	42053.46	39368.2	43916.62	41949.68	38474.65
"5,11,17,23-Tetrasulfo-25,26,27,28-tetramethoxycalix[4]arene"	6280.13	3977.99	6001.62	4738.36	4764.26	6212.94	8441.06	8376.86	7420.48	5592.36	5394.53	8036.2	7611.52	5596.59	6013.09	7067.09	8681.24	5567.69	4855.04	3292.18	2945.1	6778.14	4330.03	3717.93	6058.66
"5,9:6,9-Diepoxy-3-megastigmene"	185750.95	172703.54	149167.44	202191.05	149502.93	269179.57	177274.51	181788.89	227758.46	273189.74	261015.41	169162.99	151630.24	133300.51	139794.58	171526.3	158042.38	172512.36	148741.86	207174.34	131136.68	153474.92	274429.9	176353.09	151482.05
"(1R,2S,3S,4S,4aR,11bR)-1,2,3,4-tetrahydroxy-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-6-one"	88133.69	83556.69	77322.8	79499.14	91062.97	65916.37	60830.35	87894.06	86856.56	79641.91	63394.47	68371.21	59718.58	62651.98	75647.73	65994.12	72265.48	66474.04	80108.48	76650.52	67437.12	80007.78	60096.82	68398.93	103990.7
"Cdp-DG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	7079.79	6850.03	5858.47	6895.71	22502.83	16493.02	8242.95	34403.92	15635.13	6595.96	3489.03	12259.03	17849.35	6824.72	12294.9	11766.97	22251.52	23269.37	7731.77	10049.44	3418.88	18552.85	5054.08	8839.35	19591.06
"1-(9Z-octadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol"	14872.51	14789.88	12984.66	15240.33	15006.41	15748.96	17685.93	16696.37	17000.12	16597.82	18871.82	15247.62	13702.58	14311.59	15233.93	16302.07	14449.6	17758.12	15067.32	20423.47	13456.98	15705.35	15919.75	16502.12	15535.51
"(3S,2'S)-4-Ketomyxol 2'-alpha-L-fucoside"	123148.82	113243.57	91324.14	113394.7	115948.44	122179.36	119380.75	121206.81	124744.16	137941.58	137125.03	100562.28	89395.41	98915.2	101528.71	111851.51	108201.18	109005.18	108312.08	138132.56	84289.16	107510.28	124776.54	111143.87	108569.87
"(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-5,6-dihydroxy-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol"	10426.04	10939.5	12223.44	11212.96	11413.82	10449.35	17480.68	12220.11	12133.76	12143.85	13225.21	13010.27	15146.02	13897.44	13349.78	14636.6	14589.13	28789.22	15064.58	14928.62	16446.02	13005.14	16391.88	15234.04	15923.34
Hydrogenobyrinate diamide	6635.69	5436.81	4442.74	6260.5	6198.15	8122.86	7176.73	8205.85	10276.05	10523.58	7398.17	5947.68	4988.17	6546.42	4497.3	6188.68	6139.98	6874.57	6464.42	8940.46	4963.2	5773.65	8885.67	7453.35	8104.21
TG(14:0/15:0/14:1(9Z))	190663.64	228172.81	197920.38	241725.8	221372.92	263699.84	239765.61	257333.74	276233.67	319384.73	256866.82	225623.58	217721.42	200091.6	205822.22	201642.39	222682.07	216125.44	217172.26	255642.9	200801.62	236400.65	233622.41	246504.71	232964.93
"(2S,2'S)-Oscillol 2,2'-di(alpha-L-fucoside)"	13879.16	13324.72	15455.39	14334.52	16228.71	15473.39	25486.65	15634.5	16264.97	16329.13	15497.54	16039.24	15189.36	13664.46	14170.49	14667.21	13753.28	22620.22	16362.03	14547.01	16392.98	16150.53	16211.98	15545.03	16843.65
"(1R,2S,4S,6R,7S,8R,9S,12S,13S,18S)-6-methoxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-one"	24198.77	25440.56	19098.29	26347.31	23916.14	28752.74	24968.29	25877.84	37534.48	32894.32	31476.54	17572.13	21498.61	18395.06	17813.13	20971.21	19765.21	23828.44	22398.41	30160.56	15072.03	21158.31	24359.94	23864.83	19289.95
1-Myristoyl-3-osbondoyl-sn-glycerol	5243.26	4860.89	5871.52	5433.88	9139.15	8641.58	6291.21	4579.77	5120.7	3748.11	7774.81	6366.24	7619.7	6970.79	7049.9	7299.28	4640.01	8694.99	1313.63	4776.2	3302.95	8018.84	5669.33	5071.12	7143.73
"3,4,5-trihydroxy-6-({14-hydroxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.0(2),.0(3),.0(1)(3),(1)]nonadeca-1,4,9,11,13(17)-pentaen-11-yl}oxy)oxane-2-carboxylic acid"	983.07	871.73	1205.86	709.78	1879.02	820.26	423.7	1636.99	1611.66	1180.81	732.17	1274.78	945.42	698.58	1636.95	657.54	762.94	468.71	1769.77	897.61	552.65	1320.46	848.79	1056.6	2383.74
1-Stearidonoyl-3-eicosapentaenoyl-sn-glycerol	674720.59	762356.27	677877.48	808332.41	726452.66	885850.06	798881.98	876901.36	902950.46	1014176.45	837465.16	714581.13	723619.33	642647.48	692091.6	662314.67	734273.19	715430.68	698242.82	851521.45	645093.97	771069.05	762645.62	772653.47	744399.43
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	PubChem CID
D-phenylalanine	71567
Vidarabine monohydrate	32326
L-Lysine	5962
LPC(0:0/14:0)	-
N6-Succinyl Adenosine	20849086
Arginine	6322
L-Leucine	6106
L-Valine	6287
LPC(18:1/0:0)	53480465
Niacinamide	936
"N,N-Bis(2-hydroxyethyl)dodecanamide"	8430
Phosphorylcholine	135437
Sarcosine	1088
Glu-glu	439500
Octadecanamide	31292
Spaglumic acid	188803
Cytosine	597
N-Acetyl-L-aspartic acid	65065
Adenylocuccinic Acid	440122
Pantothenic acid	6613
MG(16:0/0:0/0:0)	3084463
Calcium pantothenate	443753
Corticosterone	5753
Piperidine acid	439227
1-Hydroxylamino-2-phenylethane	165091
Palmitic amide	69421
Fulvestrant	104741
Cholesterol	5997
PC(8:0/8:0)	24779244
Cytidine-5'-monophosphate	6131
Carnitine C4:0	439829
Oxymatrine	114850
L-Isoleucine	6306
"3,4-Dimethylbenzoic acid"	12073
Phytosphingosine	122121
O-acetyl-L-serine	99478
Nelarabine	3011155
LPC(16:0/0:0)	460602
Dopamine	681
Norvaline	65098
1-Aminocyclobutanecarboxylic acid	89643
LPC(0:0/20:4)	52924038
Hexaethylene glycol	17472
Heptethylene glycol	79718
Bis(2-ethylhexyl) adipate	7641
Norethindrone	6230
11beta-PGE2	5283061
prostaglandin D2	448457
2-Hydroxycinnamic acid	637540
"3,6,9,12,15,18,21-Heptaoxatricosane-21,23-diol"	78798
Carnitine C12:0	168381
Bezafibrate	39042
Tamsulosin	129211
LPC(O-16:0/2:0)	108156
Tropicamide	5593
Penciclovir	135398748
Phe-Asp	6992643
Mirtazapine	4205
7-Methylguanine	135398679
2-Piperidinone	12665
LPC(16:1/0:0)	24779461
Psoralidin	5281806
"2,3-Dihydrobenzofuran"	10329
N6-Methyladenosine	102175
13-Docosenamide	5365371
Pyridoxal phosphate	1051
Phe-Pro	7020642
Choline	305
Shogaol	5281794
Allopurinol	135401907
Tyrosylleucine	87071
Acetylcholine	187
LPC(18:0/0:0)	497299
LTB4	5280492
Enoxacin	3229
3-Methoxytyramine	1669
PC(12:0/12:0)	16219892
"2-Hydroxy-3,4-dimethoxybenzoic acid"	79737
Medroxyprogesterone	10631
Loganin	87691
Carnitine C2:0	1
8-Hydroxyguanosine	135407175
Piperidine	8082
Carnitine C18:2	6450015
Pazopanib hydrochloride	11525740
Xylitol	6912
Astragaloside IV	13943297
o-Tyrosine	91482
Prostaglandin K1	16061102
Lithocholic acid	9903
Methyl benzoate	7150
Piperine	638024
Itaconic acid	811
Trolox	40634
Tetradecanedioic acid	13185
4-Hydroxycinnamic acid	637542
Phenylalanyltyrosine	515709
Thalidomide	5426
Doxycycline	54671203
Etonogestrel	6917715
Oxibendazole	4622
Succinylacetone	5312
Sulfameter	5326
Ranitidine	3001055
Suberylglycine	6453952
Oxybutynin	4634
"5-Methyl-4-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-YL]-1,3-benzenediol"	45073499
Tilmicosin	5282521
Euscaphic acid	471426
Busulfan	2478
Benproperine phosphate	167811
Polydatin	5281718
Ursolic acid	64945
Leucomycin A1	5282322
1-O-Hexadecyl-sn-glycero-3-phosphocholine	162126
Terfenadine	5405
"1,4-Dihydro-1-methyl-4-oxo-3-pyridinecarboxamide"	440810
Stearoylethanolamide	27902
Berbamine	275182
2-Thiouracil	1269845
Formestane	11273
Ciclesonide	6918155
Ochratoxin A	442530
Triethyl citrate	6506
Carnitine C14:1	22833575
alpha-Hydroxyisobutyric acid	11671
Daminozide	15331
Melatonin	896
Hydroxyurea	3657
Oxethazaine	4621
10-deoxyformamycin	14155
Gemcitabine	60750
LPC(22:6/0:0)	10415542
Etodolac	3308
Azithromycin dihydrate	3033819
"Methyl 2,4-dihydroxy-3,6-dimethylbenzoate"	78435
Estriol	5756
2'-Deoxycytidine-5'-monophosphate	13945
Telmisartan	65999
Sumiki's acid	80642
Idebenone	3686
Hordenine	68313
Rutin	5280805
1-Methylxanthine	80220
Fenoterol	3343
Adrenosterone	223997
Palonosetron	6337614
Glycyl-L-tyrosine	92829
Chlormadinone acetate	9324
Tropate	10726
Pinacidil	4826
Arecoline	2230
Buspirone hydrochloride	36431
Delphinidin 3-sambubioside	74977035
Glycocholic acid	10140
Cynarine	5281769
Dipyridamole	3108
Curcumin	969516
5-Hydroxymethyluracil	78168
Gly-Trp	92181
DL-2-Aminooctanoic acid	69522
Edaravone	4021
Acipimox	5310993
Pentostatin	439693
DL-Leucine	857
Dibutyl sebacate	7986
Mesalazine	4075
Pyrimethamine	4993
Zolmitriptan	60857
2-Chloroadenosine	8974
Atipamezole	71310
Ofloxacin	4583
3-Hydroxycinnamic acid	637541
"N-(5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraen-1-yl-4-hydroxybenzamide"	10364179
Salmeterol	5152
D-Fructose-6-phosphate	69507
Altretamine	2123
Dehydrocholic acid	6674
5-Aminopentanoic acid	138
Isoeugenol	853433
Glycidyl oleate	5354568
Irinotecan	60838
Mefenamic acid	4044
Roxithromycin	6915744
Artemisinin	68827
Harringtonine	276389
Venlafaxine	5656
Glycine dehydrocholic acid	13955640
"2,8-Quinolinediol"	97250
Enilconazole	37175
Ampicillin	6249
Corosolic acid	6918774
2-Hydroxy-4-(methylthio)butyric acid	11427
"Pyridine-3,4-dicarboxylic acid"	10273
Azobenzene-4-sulfonic acid	17210
Isofraxidin	5318565
2-Chloro-2'-Deoxyadenosine	20279
Auraptene	1550607
Pyridoxal	1050
Clotrimazole	2812
Clidinium bromide	19004
Isopentenyl pyrophosphate	1195
4-Pentenoic acid	61138
Methyl linolenate	5319706
5-(3-Carboxybenzoyl)-2-((6-(4-methoxyphenyl)-5-hexenyl)oxy)benzenepropanoic acid	6444688
2-Acetamido-2-Deoxy-D-Mannopyranose	439281
Medicagenic acid	65048
Sedoheptulose	5459879
Albendazole	2082
Zonisamide	5734
Secnidazole	71815
Phthalic acid	1017
"13,14-dihydro-15-keto PGD2"	5283036
Ursocholic acid	122340
Thymoquinone	10281
Pimozide	16362
Picrotoxinine	4816
Swertiamarin	442435
Rhamnose	25310
"15-Deoxy-delta-12,14-prostaglandin J2"	5311211
Fexofenadine hydrochloride	63002
Moxonidine	4810
Citicoline	13804
Racanisodamine	2198
Sulfadoxine	17134
Isatin	7054
Amitraz	36324
Maltose	10991489
1-Heptadecanoyl-sn-glycero-3-phosphocholine	24779463
PC(18:3/18:3)	52922787
Cortisone	222786
Dihydroactinidiolide	27209
Pindolol	4828
"1,2-Dioleoyl-sn-Glycero-3-Phosphocholine"	10350317
"1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine"	5287971
Hecogenin acetate	101906
Spiramycin	5289394
Lincomycin	3000540
HC-Toxin	107864
2'-Deoxyguanosine 5'-monophosphate	135398597
N-oleoylglycine	6436908
Ormetoprim	23418
Dioleoylphosphatidylcholine	5364680
"3',4'-(Methylenedioxy)-2-(1-pyrrolidinyl)butyrophenone Hydrochloride"	71750317
1-Octadecyl-2-acetyl-sn-glycero-3-phosphocholine	2733535
Mepiprazole	71897
Daporinad	6914657
3-Phenylpropanal	7707
Pyridine	1049
"1-(6-((3-Methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dione"	104794
Anthranoyllycoctonine	441708
1-Oleoyl-2-acetyl-sn-glycerol	6437055
N-Stearoyl Taurine	168274
Leupeptin	72429
Combretastatin A4	5351344
Anandamide	5281969
7-[2-(3-Hydroxyoctyl)-5-oxopyrrolidin-1-YL]heptanoic acid	44269516
Cyprodinil	86367
4-Methylphenylacetone	137428
Polyporusterone A	10814524
Cholesterol hemisuccinate	65082
Benzylamine	7504
"N,N-dimethylsphingosine"	5282309
Sporidesmolide 1	91617625
Heudelottin C	15559719
CCT-018159	984170
Dimethyloxalylglycine	560326
2-[2-(1-Azabicyclo[2.2.2]octan-3-ylidene)-2-fluoroethoxy]-9H-carbazole;hydrochloride	9907532
Pachyrrhizin	101277
Benzyl alcohol	244
Licochalcone a	5318998
"2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one"	3549960
Pyridaben	91754
C22 Sphingomyelin	44260125
Aucubin	91458
Actinonin	443600
Lys-Pro-Arg	488929
Aspartic acid	424
Docosahexaenoic acid	445580
Nbd-ceramide	16219783
Lasalocid	5360807
Cytochalasin e	5458385
Prostaglandin E2 p-benzamidophenyl ester	90473691
Pyrrolidine	31268
"2,5-Dimethylbenzaldehyde"	22015
4-Formyl-2-hydroxybenzoic acid	656876
Vitamin K	5280483
Bardoxolone	400010
(Phenylcarbamylmethyl)-trimethylammonium iodide	31569
Hecogenin	91453
Celastrol	122724
brefeldin A	5287620
Triphenylphosphine oxide	13097
(-)-Tylocrebrine	442875
"Erythrono-1,4-lactone"	5325915
16alpha-Hydroxyestrone	115116
1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine	16219824
4-Oxoretinoic acid	6437063
Pantoic acid	439251
Vanylglycol	10805
Luffariellolide	5387248
L-methionine sulfoxide	158980
Thidiazuron	40087
1-(2-(3-(4-Methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1H-imidazole hydrochloride	104955
Fucoxanthin	5281239
methylcarbamyl PAF	124663
Methyl 3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]-4-hydroxybenzoate	16124726
Sibutramine	5210
1-O-Octadecyl-SN-glycero-3-phosphocholine	2733532
Lys-Phe-Tyr	6710772
Validamycin A	443629
Moupinamide	5280537
Ergonovine	443884
"4-Allyl-2,6-dimethoxyphenol"	226486
Glycerophospho-N-Oleoyl Ethanolamine	16123469
Alprenolol	2119
1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine	6918215
"2S-Amino-4E-pentadecene-1,3R-diol"	91886102
Terbutaline	5403
Trp-glu	7009663
N-Palmitoyl Taurine	14504290
Gingerol	3473
Pirimicarb	31645
2-azaniumylethyl (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(stearoyloxy)propyl phosphate	46891779
Lyngbic acid	11065049
N-3-oxo-tetradec-7(Z)-enoyl-L-Homoserine lactone	10881846
Desomorphine	5362456
Dihydrotanshinone I	11425923
Fluopicolide	11159021
5-Phenylpent-4-enyl-1-hydroperoxide	6438577
PA(18:1(9Z)/18:1(9Z))	14057128
1-[5-Ethyl-2-hydroxy-4-[[6-methyl-6-(1H-tetrazol-5-YL)heptyl]oxy]phenyl]ethanone	122023
Dipalmitoylphosphatidylserine	3081382
Ginsenoside F1	9809542
Ser-phe	7009598
Labetalol	3869
Sotalol	5253
Acepromazine	6077
2-Methyl-4-phenylthiazole	584377
Smilagenin acetate	225766
Phenthoate	17435
TFPI hydrochloride	2733516
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol	104856
Linarin	5317025
"5-Fluoro-N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-1H-indole-2-carboxamide"	16739265
N-Benzyloxycarbonylglycine	14349
Tetraethyl pyrophosphate	7873
Anabasamine	161313
"4-(2-Pyridylazo)-N,N-dimethylaniline"	81528
2'-O-Methylisoliquiritigenin	5319688
Isopropyl unoprostone	5282175
3-(4-Methylsulfonylphenyl)-4-phenyl-5-trifluoromethylisoxazole	10429020
Butylone	56843046
Sumaresinol	12443148
2-Arachidonoylglycerol	5282280
Tetrapentylammonium	17249
Triamcinolone acetonide	6436
Veliparib	11960529
Cucurbitacin I	5281321
Prostaglandin E2 isopropyl ester	71684700
Flurprimidol	73668
Raltegravir	54671008
Isovalerophenone	68493
Diosgenin	99474
1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine	9546749
S-1 Methanandamide	5283423
xi-5-Dodecanolide	12844
Tegaserod	135409453
Tyrphostin B48	5328771
Flonicamid	9834513
Prostaglandin f1alpha	5280939
Alendronic acid	2088
N-Methyl-D-aspartic acid	22880
2-Mercaptoethanesulfonic acid	598
Trans-Zeatin	449093
Ancitabine hydrochloride	25050
Crocetin	5281232
Propoxur	4944
(+)-Isomenthone	70962
Imperialine	442977
4(5)-EpDPE methyl ester	14428012
CAY-10487	23659588
"S-(1,2-Dicarboxyethyl)glutathione"	9802383
Ursinoic acid	795044
Buprenorphine	644073
Nomifensine maleate	5358907
Clomipramine	2801
Saikosaponin A	167928
1-deoxy-D-xylulose 5-phosphate	443201
Quinalphos	26124
"1,2-Dibenzoylbenzene"	70875
Esprocarb	91740
DL-3-Phenyllactic acid	3848
"N,N?-dicyclohexylcarbodiimide"	10868
"6-(2,6-Dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2,3-D]pyrimidin-7(8H)-one"	447700
N-Butyrylhomoserine lactone	443433
beta-Sitosterol	222284
Thiram	5455
3-hexanoyl-NBD Cholesterol	57370056
Verapamil	2520
Ercalcitriol	9547243
(3-Acrylamidopropyl)trimethylammonium Chloride	170750
Makisterone A	12312690
"(5-amino-1H-1,2,4-triazol-3-yl)methanol"	222697
1-Naphthyl glucuronide	114851
Puromycin	439530
Linalyl acetate	8294
Met-Asp	7009610
Gly-Gln-Gly	7020055
Maprotiline hydrochloride	71478
"11,14-Eicosadienoic acid"	5282805
"2C-Methyl-D-erythritol 2,4-cyclodiphosphate"	126747
11-Aminoundecanoic acid	17083
Simeconazole	10085783
TG(8:0/8:0/8:0)	10850
5-Methoxyindoleacetate	18986
Dodecanedioic acid	12736
Lupenone	92158
Hydrocortisone hemisuccinate	16623
Malonoben	5614
"Arachidonoyl-N,N-dimethyl amide"	5283408
Methylphenidate	4158
"6,11-Dihydro[1]benzothiopyrano[4,3-b]indole"	297589
"Santonine, oxime"	5351540
3-Phenylphenol	11381
Geraniol	643820
"Methyl acrylate-divinylbenzene, completely hydrolyzed, copolymer"	1151711
Naringenin-7-O-glucoside	9910767
Homoeriodictyol	73635
alpha-D-Galactosamine 1-phosphate	493587
Prosapogenin A	11061578
Argatroban	92722
Ajaconine	441706
protoveratrine A	8931
Ginsenoside RG2	21599924
Cyclic AMP	6076
Desmethyldoxepin	5353833
"1-(2-Hydroxyphenyl)-3-phenylpropane-1,3-dione"	73849
Tetramisole	3913
Asp-Trp	7020001
1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine	195048
Palmitoleoyl Ethanolamide	9835868
p-Aminobenzoic acid	978
Daidzein	5281708
Ethenodeoxyadenosine	10945668
N-(3-methoxyphenyl)-4-chlorocinnamanilide	667594
Osalmid	4602
Azelaoyl PAF	17757205
Phe-Asn	10468817
1-Heptanol	8129
Pyrazoxyfen	92383
1-Palmitoyl-2-pyrenedecanoylphosphatidylcholine	196328
Resmethrin	5053
"5-Methyl-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-1,3-benzenediol"	16657068
Oxycarboxin	21330
Sequinavir	60787
27-Hydroxycholesterol	123976
Acteoside	5281800
Heraclenin	458010
Phenyl aminosalicylate	8609
Tetradecanoylcarnitine	53477791
"(1Z,13S,14R,15E)-1-Anthracen-9-yl-14-hydroxy-13-(hydroxymethyl)nonacosa-1,15-dien-12-one"	125462772
"4,4'-Methylenebis(2-methylaniline)"	13283
N-(Hydroxymethyl)nicotinamide	77116
Ethyl linoleate	5282184
Stanozolol	25249
Dehydroabietic acid	94391
2-Chloro-3-Deazaadenosine	21854299
Chlordiazepoxide	2712
4-Hydroxyphenyl thiocyanate	220327
Cauloside C	13878151
Tyrphostin A51	5328807
"N-Benzyl-N,alpha-dimethylphenethylamine"	2341
Rivenprost	9803828
Profenamine	3290
DL-Homocysteine	778
Famprofazone	3326
Ginsenoside Rh1	12855920
PS(18:0/20:4)	24779545
Arthonioic acid	6710684
Farnesyl acetate	638500
2-Aminoanthraquinone	8341
5-Methylcytidine	92918
Canthaxanthin	5281227
Urocanic acid	736715
alpha-Peltatin	92129
C-12 NBD-dihydro-Ceramide	71311688
Peonidin-3-glucoside	443654
Ecdysone	19212
N-octanoylsphingosine 1-phosphate	10864091
"4(3H)-Pteridinone, 2-amino-7,8-dihydro-6-[(1S,2R)-1,2,3-trihydroxypropyl]-"	135402024
4-Oxatetradecanoic acid	1754
"Carbamimidothioic acid, methyl ester"	5142
Conessine	441082
(E)-beta-Damascone	5374527
Tricosane	12534
Vecuronium	39765
Dexamethasone acetate	236702
Astragaloside II	13996693
"3,5,7,8-Tetrahydro-2-[4-(trifluoromethyl)phenyl]-4H-thiopyrano[4,3-d]pyrimidin-4-one"	135418940
Ganoderic acid A	471002
Malathion	4004
DL-Homocystine	10010
Timosaponin A-III	15953793
KOdiA-PC	91885957
3-(Methylthio)propionaldehyde	18635
Avenanthramide-C methyl ester	11652818
4'-Methoxyflavone	77793
Adenosine-3'-5'-diphosphate	159296
Trihexyphenidyl	5572
2-Hexadecanoylthio-1-ethylphosphorylcholine	194114
beta-Acetyldigoxin	10350481
Inosine diphosphate	135398651
Methyl tetradecanoate	31284
"PC(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	16759366
Leukotriene B4 dimethylamide	5283126
Asp-Asp	471583
N-Acetyl-S-geranylgeranyl-L-cysteine	11575713
Homoveratric acid	7139
Threitol	169019
"2,3-Dihydroxy-3-methylbutanoic acid"	677
"1,8-Diazacyclotetradecane-2,9-dione"	16
L-3-Hydroxykynurenine	11811
3-Aminopropionaldehyde	75
beta-Ionone	638014
"2,3,6-Trihydroxypyridine"	440020
Ethylbenzene	7500
Benzoylecgonine	448223
Enniatin B4	3010886
5'-Chloro-5'-deoxyadenosine	5327118
"17alpha,21-Dihydroxypregnenolone"	192735
3-Hydroxypropanal	75049
(S)-Styrene oxide	114946
6-deoxyerythronolide B	121904
Geranylgeraniol	5281365
(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid	440177
N-Acetyl-L-glutamate 5-semialdehyde	192878
"4,5alpha-Dihydrocortisone"	440054
Thymidine-methyl-T	119209
"PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	52922342
Allopurinol riboside	135407110
"3,7-Dimethyluric acid"	83126
Estrone	5870
Pentamycin	5282200
Glycitein	5317750
Coenzyme Q6	5283544
L-3-Phenyllactic acid	643327
Erythrulose	162406
"6-(alpha-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate"	5461149
"cis-5,6-Dihydro-5,6-dihydroxy-carotene"	53477757
26-Hydroxyecdysone	22295962
7-chloro-L-tryptophan	3081936
(2S)-2-Amino-4-selanylbutanoic acid	15894949
Taurochenodeoxycholic acid	387316
Methyl 2-(10-heptadecenyl)-6-hydroxybenzoate	131752389
1-Hydroxy-2-naphthaldehyde	443195
Westiellamide	159587
1-Methylguanosine	96373
Atrazine	2256
Glycerol	753
Thalicarpine	21470
Adenosine 5'-phosphoramidate	440142
Plakortic acid	10402441
5-Hydroxykynurenine	440745
N6-Methyladenosine-5'-monophosphate	16760025
Bolegrevilol	14376403
Guanosine-5'-diphosphate	135398619
Blighinone	137185904
"(13R,17R)-17-[(1R,2S)-1,2-dihydroxyheptyl]-1,5,10-triazabicyclo[11.4.0]heptadec-15-en-11-one"	100419
1-((2-chlorophenyl)diphenylmethyl)-1H-pyrazole	656734
Tetrahydroharman	91522
Pyridoxamine	1052
Fasciculic acid B	14506482
"5,6-Epoxy-5,6-dihydro-10'-apo-b,y-carotene-3,10'-diol"	131752517
Alangicine	442158
Homidium bromide	14710
Polypodine b	441833
1-{4-[(3-Aminopropyl)amino]butyl}guanidine	541551
Concanamycin a	6438151
Nonoxynol-9	72385
All-trans-heptaprenyl diphosphate	5280658
Spheroidenone	5366412
Benzoic acid	243
11-Oxo-beta-amyrin	20055661
Lucyobroside	131751236
6-Acetoxydihydrotheaspirane	93838
Gallic acid	370
Squamosinin A	102153520
Allyl propyl disulfide	16591
Pedilstatin	643665
"2,3',5-Trichlorobiphenyl"	38033
"5-{9,32-Dihydroxy-6,10,13,19,20,32-hexamethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.1^{1,4}.1^{4,7}.0^{12,17}.0^{17,23}]pentatriaconta-10,13,22-trien-14-yl}-3-methyloxolan-2-one"	10699960
Gluten Exorphin C	25221466
"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione"	248263
Acetyl tributyl citrate	6505
2-O-(3-Hydroxy-3-methylglutaryl)fasciculol A	196810
Milbemycin A3	9828343
"2-Acetoxy-3-geranylgeranyl-1,4-dihydroxybenzene"	131752921
"Aflatoxin-M1-8,9-epoxide"	53297448
Indole-3-acetamide	397
Tubulosine	72341
3-Isopropylmalic acid	5462261
3alpha-O-trans-Feruloyl-2alpha-hydroxy-12-ursen-28-oic acid	131752276
Spirilloxanthin	5366506
Phenbenzamine	13751
Hawkinsin	173909
Pilocereine	228285
Tetrahydroxypteridine	230047
3-Dehydroquinic acid	439351
25-Azacholesterol	164906
Phytolaccoside E	125210
Hexahydro-1-[4-(9-benzyl-9H-fluorene-9-yl)-2-butynyl]-1H-azepine	656736
"MG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0/0:0)"	53480995
(Sulfooxy)acetic acid	17982876
Finaconitine	441733
Bilastine	185460
Croton factor F1	334044
Leucodopachrome	161255
Spirolucidine	442502
7-Methyljuglone	26905
Ipomeatetrahydrofuran	131752981
Veratridine	6280
Erythromycin B	9918244
S-methyl-5-thio-alpha-D-ribose 1-phosphate	11988266
Digallic acid	341
"3D-3,5/4-trihydroxycyclohexane-1,2-dione"	24771766
Notoginsenoside T2	131752528
2-Octaprenylphenol	5280832
Matromycin	72493
"11-Hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-(3,4,5-trihydroxyoxan-2-yl)oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid"	53462068
L-arabinonic acid	6602426
Deoxycholic acid	222528
Artemisyl propionate	101415797
Lansioside C	73816952
Teleocidin B-1	185384
L-Cysteinesulfinic acid	1549098
Ampeloside Bs1	14187142
Desacetylvinblastine	197026
"12-Butan-2-yl-19-hexyl-6-(1-hydroxyethyl)-9-(hydroxymethyl)-16,18-dimethyl-15-(2-methylpropyl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone"	115071
Leucomycin A13	11954020
Acetaldehyde	177
Tetrachlorvinphos	5284462
Latia luciferin	5280505
Desmethylalborixin	9854219
Polyoxyethylene sorbitan monooleate	3793749
Dihydropteroate	135398662
Glucosyl passiflorate	92023814
7H-Purin-8-ol	229771
beta-Ccb	128618
Polyporusterone G	44449940
(8'R)-Neochrome	131750958
Petromyzonol sulfate	5200193
"(3R,4S,5S,7R,8R,9E,11S,15R,17R)-3,8-Dihydroxy-17-[(S)-hydroxy-[(3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]methyl]-4-methoxy-5,7,9,11,15-pentamethyl-1-oxacyclooctadec-9-ene-2,6,12,16-tetrone"	23426994
trans-3-Feruloylcorosolic acid	131752836
2-Propanoylthiazole	65288
3-Mercaptolactate-cysteine disulfide	193536
Synaptolepis factor K1	5281397
Anhydroamarouciaxanthin B	23428237
Lucyoside Q	74029748
Oolongtheanin	14080131
Hemibrevetoxin B	6442821
N-[(R)-4-phosphopantothenoyl]-L-cysteine	440304
Cynarasaponin F	131752676
Soyasapogenol B 24-O-b-D-glucoside	14021514
Enalkiren	60594
"3-Buten-2-one, 4-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-"	5371267
Carnosifloside I	11953915
Pandamine	442576
Indole-3-acetaldoxime N-oxide	46173868
2-Keto-3-deoxy-6-phosphogluconate	3080745
Azaspiracid-1	21593892
Aqupla	6917890
Butenafine	2484
Docosadienoate (22:2n6)	5312554
"3-[(2S)-1-hydroxy-2-[(1S,2S,6R)-2-[(E)-3-hydroxy-2-[(2R,3R,6S)-6-[(E,3S)-3-[(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl]but-1-enyl]-3-methyloxan-2-yl]prop-1-enyl]-6-methylcyclohexyl]propylidene]oxolane-2,4-dione"	54688698
Ustiloxin D	157840
Xanthurenic acid	5699
15(S)-HPETE	5280893
Oglufanide	100094
"9S,11R-dihydroxy-15-oxo-5Z,13E-prostadienoic acid-cyclo[8S,12R]"	5283215
Fluvoxamine maleate	9560989
N-cis-octadec-9Z-enoyl-L-Homoserine lactone	71684636
Panobinostat	6918837
"(6aR,10aR)-1-methoxy-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene"	5311215
"(1R,2R,5R,8R,9S,10R,12S)-12-Hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid"	443457
Arginyl-glycyl-aspartic acid	104802
"(1S)-((2R,4S,5R)-5-Ethylquinuclidin-2-yl)(quinolin-4-yl)methanol"	11630759
15(S)-HETE-d8	16061122
Tranilast	5282230
"(+)-3,4-Dihydro-3,8-dihydroxy-3-methylbenz(a)anthracene-1,7,12(2H)-trione"	160887
BzATP	115205
"Cholestane-3,7,12,25-tetrol-3-glucuronide"	42622727
Vinaginsenoside R14	85084513
"(3b,6a,12b,20S,23E)-Dammar-23-ene-3,6,12,20,25-pentol 6,20-diglucoside"	131751603
"methyl (1S,15R,17S,18S)-6-[(1S,12R,14R,15E,18S)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-17-[(1R)-1-hydroxyethyl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate"	102483318
"(1R,6R,11S,13S,14R,21R)-7,19,23-triazahexacyclo[9.9.1.11,13.12,6.07,21.014,19]tricosane"	476521
"(2R)-2-[(2R,3R,4S)-3,4-bis(2-hydroxyethoxy)oxolan-2-yl]-2-hydroxyethyl dodecanoate"	22833389
Dslet	107847
"(1R,2R,5Z,12R,13S,16Z)-25-(9H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol"	5468480
"16alpha,17-Dihydroxypregn-4-ene-3,20-dione cyclic acetal with 2-furyl methyl ketone"	11954076
"(1R,2R,4S)-p-Menthane-1,2,8-triol 8-glucoside"	73809750
"(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-17-[(1R)-1-hydroxy-1-[3-[(2S)-3-methylbutan-2-yl]oxiran-2-yl]ethyl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one"	101620739
LPC(15:0/0:0)	24779458
1-Deoxyvaleric-acid	71448993
"N,N-Dimethylformamide"	6228
LPC(16:2/0:0)	154573513
LPC(0:0/20:3)	165415738
Butenoyl-PAF	45138381
Diaveridine	21453
N-Cyclohexylformamide	13017
LPC(0:0/22:4)	-
LPC(18:3/0:0)	24779469
TRIPHENYL PHOSPHATE	8289
LPC(20:2/0:0)	52924053
LPC(22:4/0:0)	52924039
Carnitine C8-OH	86583357
LPC(20:5/0:0)	11757087
Spironolactone	5833
LPC(22:5/0:0)	53480475
"9alpha,11alpha,15R-Trihydroxy-17-phenyl-18,19,20-trinor-prost-5Z-en-1-oic acid, isopropyl ester"	59954578
LPC(0:0/22:5)	165415626
Confertifoline	435751
TRIETHYL PHOSPHATE	6535
Carnitine C18:2-OH	71464556
Carnitine C12-OH	71464535
LPE(0:0/20:4)	53480936
LPC(20:4/0:0)	24779476
Avobenzone	51040
Cysteinyl-glutamate	18218194
Carbaryl	6129
Carnitine C20:1 Isomer 1	-
Marbofloxacin	60651
D-Mannosamine	440049
Chlorquinaldol	6301
Racecadotril	107751
Pro-Ile	7079600
LPC(0:0/18:3)	134777355
Zaltoprofen	5720
Thr-Val-Leu	49864481
Saccharin	5143
8-Aminooctanoic acid	66085
"(S,Z)-N-(2-Oxotetrahydrofuran-3-yl)tetradec-9-enamide"	35028743
His-Arg-Lys-Glu	-
Arg-Ser-Ser	145453941
Asp-Arg-Tyr	91975563
Arg-Leu-Ala	145453863
Tyr-Ile-Lys-Lys	-
His-Asn-Ile	145455768
Gly-Arg-Ser	145455574
Gly-Lys-Thr-Ser-Glu	-
Asn-Lys-Phe	145454191
Glu-Tyr-Ile-Glu	-
Glu-Gly-Lys-Tyr-Glu	-
Thr-Thr-Arg	145458202
Antanapeptin C	15546252
Tris(2-butoxyethyl) phosphate	6540
Ser-Cys-Arg	145457702
Phe-Pro-Lys	11153522
Trp-Asp-Ile	145458312
His-Arg-Asn	145455745
His-Asn-Lys-Arg	-
His-Lys-Gln-Lys	-
Buprofezin	50367
Phe-Asn-Leu	145457150
His-Leu-Val-Leu-Arg	-
Tyr-Pro-Gln	145458745
Pro-Glu-Lys	145457462
Gly-Leu-Arg-Val-Phe	-
Apicidin	6918328
antimycin A1	12550
Ala-Ala-Ala-Arg-Phe	44151817
Tyr-Arg-Leu-Ile-Val	-
Met-Asn-Asp	145456856
Lys-Glu-Phe	145456652
Diisooctyl phthalate	33934
Gln-Tyr-Gln	145455254
"5-[3-[4-(6,8-Dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl]-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol"	4185
Fenazaquin	86356
Arg-Thr-Ser	124420574
Arg-Thr-Ile	145453953
"(Z)-7-[(2R)-3-hydroxy-2-[(E,4R)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid"	71684381
Gly-Val-Val-Glu-Ile	-
1-O-Hexadecyl-2-arachidonoyl-sn-glycero-3-phosphocholine	6443139
"(2S)-3-hydroxypropane-1,2-diyl didecanoate"	162916
"Podocarpa-8,11,13-trien-16-oic acid, 12-hydroxy-"	220357
Hoiamide C	46919101
Lys-Gln-Phe	145456642
Tyr-Phe-Thr-Lys	-
Pro-Ser-Tyr	145457580
Tyr-Ser-Asn-Arg	-
Trp-Lys-Arg	145458424
Tyr-Ser-Val-Glu	-
Arachidonoyl m-Nitroaniline	35026079
His-Asn-Gln	145455764
Bufogenin	10063
"2-Azaniumylethyl 2,3-di(tetradecanoyloxy)propyl phosphate"	75228634
Thr-Lys-Gln	145458131
His-His-Asn	145455855
Trp-Arg-Asp	145458272
Gly-Arg-Arg-Val-His	-
1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine	24778933
Val-Gly-His	145458926
Mefenacet	91716
Arg-Ser-Met	145453938
Tyr-Val-Lys-Ala-Leu	-
[(E)-4-Methyl-5-Oxidanyl-Pent-3-Enyl]-Phosphonooxy-Phosphinic Acid	9901847
Ala-Pro-Trp	101118241
Arg-Gln-Ala	145453788
Tyr-Pro-Glu	101118237
N-(6-aminohexyl)-1-chloro-naphthalene-5-sulfonamide	6993606
Antanapeptin A	15546250
4-Oxo-2-nonenal	6445537
Arg-Phe-Arg	10205893
Pro-Gly-Val	145457477
Dihydrogambogic acid	6857793
CerP(d18:1/12:0)	5283580
N-Desmethyl tapentadol	71159880
His-Ile-Lys-Arg	-
Arg-Tyr-Met	145453979
"7-(2-(2-(Dimethylamino)ethoxy)ethoxy)-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine"	46901937
Met-Glu-Ser	145456932
Asp-Pro-Tyr	145454543
Tyr-Ile-Met	145458679
Glu-Gln-Arg-Arg	-
Lys-Phe-Thr	145456752
Gly-Lys-Lys-Gln-Leu	-
Tyr-Pro-Trp	11754180
Asp-Glu-Phe	10179672
Dioonflavone	3336566
Val-Arg-Val	145458841
Gln-Val-Leu-Arg	-
Thr-Glu-Met	145458051
"1,2-Dipalmitoleoyl-sn-glycero-3-phosphocholine"	24778764
Gly-Asp-Phe	101272708
Cys-Pro-Lys	145454862
Asp-Glu-Lys	14299151
Tyr-Leu-Ala-Lys	-
Glu-Lys-His-Cys-Arg	-
Ser-Glu-Asn	145457734
Deoxodeoxydihydrogedunin	6708592
Met-Lys-Lys	145457002
Leu-Thr	10353878
2-Cyclohexyl-N-(1-isopropylpiperidin-4-yl)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazolin-4-amine	46224516
Biotin-X-NHS	5063989
scytophycin C	10328022
Arg-Pro-Gly	11989971
Gln-Leu-Asn-Arg	-
2-Aminoadenosine	72200
Arg-Arg-Leu	71447016
Val-Pro-Val	10358218
Tyr-Cys	18642383
Cys-Pro-Ile	9902099
S-4-Hydroxymephenytoin	119507
Ala-Tyr-Lys	57339143
Gln-Val-Leu-Leu-Gly	-
Cediranib	9933475
tetrahydrozoline	5419
Thr-Ser-Thr	145458198
Mebeverine	4031
N-Oleoyl-L-Serine	44190514
Gly-Lys-Val-Lys-Lys	-
Lenacil	16559
His-Thr-Met	145455977
Aminoguanidine	2146
Acetamiprid	213021
Nimustine	39214
Lys-Ile-Trp	145456694
Arg-Pro-Asp	145453918
1-(2-Cyclohexylethyl)-3-(2-methoxyphenylacetyl)indole	53394099
Arg-Arg-Asn	145453734
Arg-Lys-Phe	52941852
Terbucarb	15967
Glu-Cys-Ala	88245162
meclofenoxate	4039
Bis(4-cyanophenyl)methanol	10466550
"1,2-Dipentadecanoyl-sn-glycero-3-phosphocholine"	24778654
8-iso-PGA1	6473771
Trp-Gln-Gln	145458341
Val-Gln	5253209
Arg-Ser-Lys	145453937
"5-(N,N-Hexamethylene)amiloride"	1794
"1,2-Dimyristoleoyl-sn-glycero-3-phosphocholine"	24778648
Cys-Met-Ala	145454825
Pro-Pro-Ile	23653122
Gln-Lys-Lys-Leu-Ala	-
N-(dodecanoyl)-sphing-4-enine-1-phosphocholine	44260123
Pro-Glu-Leu	145457461
Gln-Val-Ala	145455267
Tyr-Asp-Ser	145458594
Lys-Lys-Thr	145456722
Gly-Arg-Thr-Leu-Val	-
Dolastatin 12	21603517
Amitrole	1639
Phe-Pro-Asn	145457296
1-Stearoyl-2-docosahexanoyl-sn-glycero-3-phosphocholine	52923691
"1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine"	213027
Desfesoterodine	9819382
Ala-Phe-Trp	145453654
His-Lys-Phe	67919500
Homosalate	8362
Pro-Phe-Asn	145457549
Tyr-Val-Met	145458809
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate	24779560
Asp-Arg-Lys	145454355
PE-NMe2(18:1(9Z)/18:1(9Z))	9547022
Glu-Lys-Tyr-Leu-Gly	-
Pro-Met-Lys	145457540
Arg-Trp-Ile	145453966
1-beta-D-Galactosylsphingosine	91746255
Phencyclidine	6468
"2-[(4s)-6-(4-Chlorophenyl)-8-Methoxy-1-Methyl-4h-[1,2,4]triazolo[4,3-A][1,4]benzodiazepin-4-Yl]-N-Ethylacetamide"	46943432
THOS Streptonigrin	247673
Fenarimol	43226
Lys-Lys-Phe	145456719
2-[(4-{2-[(4-Cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid	3392731
Montelukast sulfoxide	15297728
Cys-Leu-Gln	46935384
His-Tyr-Cys	145456004
Isoxaben	73672
Pro-Gln-Cys	145457444
Cys-Ser-Gln	145454872
Ala-Leu-Gly	6992450
Talwin	4736
"(Z)-N-[5-[5-[(3aS,4R,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]pentyl]-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enamide"	124587500
Met-Arg-Ser	145456850
"Propan-2-yl 7-[3,5-dihydroxy-2-(3-hydroxy-4-phenoxybut-1-en-1-yl)cyclopentyl]hept-5-enoate"	53393961
Gly-Thr-Ala	145455689
"1,2-Distearoyl-sn-glycero-3-phosphocholine"	94190
EX-527 (Selisistat)	5113032
Glu-Glu-Gln	10363838
"PE(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))"	52924890
Glu-Leu-Thr	145455430
Ser-Gln-Gly	11637853
Ser-Tyr-Gln	145457913
Cys-Met	10214628
1-[(9Z)-hexadecenoyl]-2-[(11Z)-octadecenoyl]-sn-glycero-3-phosphocholine	24778766
DL-Arginine	232
"PE-NMe(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))"	131820315
8-Hydroxy-(+)-delta-cadinene	15983950
1-Stearoyl-2-vaccenoyl-sn-glycero-3-phosphocholine	24778815
1-(11Z-eicosenoyl)-2-(9Z-tetradecenoyl)-glycero-3-phosphocholine	52923095
Juvenile hormone I acid	87975091
"[3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate"	14818934
2-Hydroxytrichodiene	122706455
Inunolide	135398058
"PC(18:0/18:4(6Z,9Z,12Z,15Z))"	24778833
PE-NMe(16:0/18:1(11Z))	131820077
"2-cis,4-trans-xanthoxin"	5282222
PE-NMe2(16:0/18:1(11Z))	131820973
PE-NMe2(14:1(9Z)/20:1(11Z))	131820967
"1-(11Z,14Z-eicosadienoyl)-2-tetradecanoyl-glycero-3-phosphocholine"	52923153
"PE(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))"	52924395
"PA(18:3(9Z,12Z,15Z)/20:1(11Z))"	52929005
20-Dihydrodydrogesterone	131769931
"1-tetradecanoyl-2-(11Z,14Z-eicosadienoyl)-glycero-3-phosphocholine"	52922228
N-Methylethanolamine phosphate	439436
"1,2-Dipalmitoleoyl-sn-glycero-3-phosphoethanolamine"	9546809
"PE-NMe2(16:0/18:3(9Z,12Z,15Z))"	131821055
6-phospho-2-dehydro-D-gluconate	6602434
"6-Imino-5-oxocyclohexa-1,3-dienecarboxylic acid"	440394
"1-pentadecanoyl-2-(11Z,14Z-eicosadienoyl)-glycero-3-phosphocholine"	52922326
3-Hydroxysintaxanthin	131751826
Dihydromethanophenazine	5281993
"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone"	135398717
"PC(15:0/20:5(5Z,8Z,11Z,14Z,17Z))"	52922332
"5,6,7-trihydroxy-2-phenyl-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-4-one"	131833595
Nicotinate	937
5'-Dehydroinosine	135398677
"PE(18:2(9Z,12Z)/20:1(11Z))"	52924371
"15-cis-4,4'-Diapophytoene"	14019219
Mycolactone F	24757914
"PA(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	52928634
3-Hydroxy-beta-ionone	5363700
Psychotrin	3496498
N-hydroxy-L-isoleucine	49852348
"PC(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	24778901
4-Hydroxy-L-glutamic acid	439902
Acetylenedicarboxylic acid	371
1-(4-Hydroxy-2-methylpyrimidin-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium bromide	5460092
9-Riburonosyladenine	97627
"PA(20:2(11Z,14Z)/18:3(9Z,12Z,15Z))"	52929164
LPE(0:0/22:5)	53480944
4-Chlorobenzoic acid	6318
"2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl"	15608168
(2S)-2-azaniumyl-3-[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]propanoate	25200966
"PA(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	24779562
Contignasterol	9827618
"LPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z))"	53480943
N(6)-(dimethylallyl)adenosine 5'-monophosphate	100221
Norcraugsodine	253995
Guaiacol	460
Halstoctacosanolide A	10259958
"7,8-diaminopelargonate"	652
1-(2-Amino-4-methylpentanoyl)pyrrolidine-2-carboxylic acid	3977067
"PC(18:0/22:5(4Z,7Z,10Z,13Z,16Z))"	24778871
"1,2-di-[(11Z)-octadecenoyl]-sn-glycero-3-phosphocholine"	24778895
nitroso (2S)-2-amino-4-sulfanylbutanoate	3035701
13-Demethyl tacrolimus	131769926
Vinaginsenoside R12	131752935
Anabsinthin	44558930
Ceramidetrihexoside	73427341
"2-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one"	322636
25-Hydroxy-24-epi-brassinolide	443056
Ganoderic acid L	131751878
Mycolactone C	11331581
Colubrinic acid	21672700
Myxalamid D	11954002
Kunzeaol	71296186
19-(4-Hydroxyphenyl)nonadecanoic acid	20264499
15-Deoxoeucosterol	73816064
2-[hydroxy-[2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium	5280634
Dodecanamide	14256
3-Hydroxyisovalerylcarnitine	71464474
PC(14:0/P-18:1(11Z))	53478619
"Fusicocca-2,10(14)-diene-8beta-ol"	90658048
"1b,3a,7b-Trihydroxy-5b-cholanate"	53481636
"4-Carboxy-2-hydroxy-cis,cis-muconic acid"	54675766
"2',3'-Cyclic GMP"	92823
"(4-{5,7-dihydroxy-4-oxo-3,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}phenyl)oxidanesulfonic acid"	131833387
PC(14:1(9Z)/P-18:1(11Z))	53478643
"(R)-N-Acetyl-6-(4-aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone"	9816296
PE-NMe2(16:1(9Z)/18:1(11Z))	131820969
Avermectin A1a monosaccharide	11953992
"Fusicocca-1,10(14)-diene-3,8beta,16-triol"	90658912
"magnesium;methyl (3R,21S,22S)-11,16-bis(ethenyl)-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate"	11953965
Tangeraxanthin	131752512
Strophanthin	220861
LPA(i-24:0/0:0)	131821856
Acetyl citrate	54454045
"PA(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))"	52928972
Avermectin A1b monosaccharide	11953980
(6E)-8-hydroxygeraniol	5363397
Iriomoteolide 1a	16723501
3-beta-D-glucopyranuronosyloxy-5-methylisoxazole	443072
"3,4,5-trihydroxy-6-{[2-oxo-3-(3,4,5-trihydroxyphenyl)propanoyl]oxy}oxane-2-carboxylic acid"	131831804
4'-Apo-beta-carotenal	44224033
Lolicine A	72734310
11a-Hydroxytetracycline	122391248
1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphate	5283523
"2-Hydroxy-8-[4-[4-(2-pyrimidinyl)piperazino]butyl]-8-azaspiro[4.5]decane-7,9-dione"	59058967
N-Stearoylglycine	95070
"4,4-Dimethyl-14a-formyl-5a-cholesta-8,24-dien-3b-ol"	133187
"PE-NMe2(18:1(9Z)/18:3(9Z,12Z,15Z))"	131821154
"1,26-Dicaffeoylhexacosanediol"	131751079
"[(2S)-2,3-bis(3,7,11,15-tetramethylhexadecoxy)propyl] [(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl] hydrogen phosphate"	72734317
N-Acetyl-leu-leu-tyr-amide	443109
Retinyl beta-glucuronide	6440956
"PA(22:0/18:3(9Z,12Z,15Z))"	52929304
Mikamycin B	14974
Norzolmitripan	29978255
"1,28-Dicaffeoyloctacosanediol"	131752290
[(2R)-2-octanoyloxy-3-phosphonooxypropyl] icosanoate	131821976
"3-(3,5-Diiodo-4-hydroxyphenyl)lactate"	440310
"[3,5-dihydroxy-2-(hydroxymethyl)-6-[3,5,7-trihydroxy-2-(2,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]oxan-4-yl]oxidanesulfonic acid"	131833110
"(5S)-1-(3,4-dihydroxyphenyl)-5-hydroxydecan-3-one"	54758610
MG(0:0/22:0/0:0)	121658
"3,4,5-trihydroxy-6-{[4-(hydroxymethyl)-2-oxo-2H-chromen-7-yl]oxy}oxane-2-carboxylic acid"	131839402
"6-[2-(2H-1,3-benzodioxol-5-yl)-1-carboxy-2-oxoethyl]-3,4,5-trihydroxyoxane-2-carboxylic acid"	131835662
PE-NMe2(15:0/16:0)	131820976
tamoxifen N-beta-D-glucosiduronic acid	5460873
1-Tetradecanoyl-2-eicosanoyl-sn-glycero-3-phosphocholine	24778633
"LysoPC(18:3(6Z,9Z,12Z))"	52924045
(+)-cis-abscisic aldehyde	5282224
"PC(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))"	52922937
"Docosanoic acid, 1-[[(1-oxooctadecyl)oxy]methyl]-2-(phosphonooxy)ethyl ester, (R)-"	9547175
Tenivastatin	64718
Alpha-Hydroxy-tamoxifen-O-glucuronide	131769958
"1-[(3aS,8bR)-8b-hydroxy-7-methoxy-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-3-yl]ethanone"	100952227
"4-hydroxylamino-2,6-dinitrotoluene"	5375469
Tragopogonsaponin K	14827932
"PE-NMe2(14:0/20:2(11Z,14Z))"	131820994
Hydroxyspheroidenone	16061267
"PE(18:1(11Z)/18:3(9Z,12Z,15Z))"	53479628
"6-{[5,7-dihydroxy-4-oxo-2-phenyl-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-6-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid"	131833644
"3,4,5-Trihydroxy-6-[3-(hydroxymethyl)-1-oxoisochromen-7-yl]oxyoxane-2-carboxylic acid"	131834937
"PA(18:0/18:4(6Z,9Z,12Z,15Z))"	52929478
3-Azaniumyl-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoate	44355849
Leu-Val	6993115
Simvastatin	-
Quercetin	-
Protopine	4970
"15,15-Difluoro-9alpha,11alpha-dihydroxy-16-phenoxy-17,18,19,20-tetranor-prosta-5Z,13E-dien-1-oic acid, isopropyl ester"	91746212
"(6R,7R)-7-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3-chloranyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	9907260
Osimertinib mesylate	78357807
Phe-Val-Lys-Lys	-
Lys-Ile-Val-Lys	-
His-Val-Gln-Arg	-
Lys-Tyr-Thr-Ser-Ser	-
Asn-His-Ile-Arg	-
Lys-Ile-Glu-Arg	-
Phe-Tyr-Lys-Arg	-
Val-Thr-Tyr-Lys	-
Ser-Arg-Tyr-Glu	-
Leu-Thr-Ser-Lys-Tyr	-
Ala-Leu-Tyr-Arg	-
Leu-Arg-Gly-Pro-Ser	-
Leu-Gln-Lys-Ser-Leu	-
Leu Glu	22820363
Lys-Leu-His-Val-Asp	-
Lys-Tyr-Thr-Arg	-
Ala-His-Val-Asp	-
Ile-Phe-Val-Lys	-
Trp-His-Thr-Ile-Ile	-
Ile-Glu-His-Lys	-
Phe-Tyr-Gln-Lys	-
Thr-Val-Thr-Phe-Tyr	-
8-iso Prostaglandin F2d4	-
4-hydroxy Nonenal Glutathione	-
Ser-Glu-Glu-Glu-Ile	-
Leu-Glu-Ala-Ile-Asn	-
Lys-Tyr-Val-Lys	-
Phe-Thr-Arg-Lys	-
Lys-Val-Glu-Ile-Asp	-
Arg-Asp-Leu-Tyr-Ser	-
Val-Tyr-Ser-Lys	-
Ala-Asn-Arg-Val-Thr	-
Val-Ala-Phe-Asp	-
Pro-Glu-Arg-Val-Lys	-
Thr-Lys-Phe-Ser-Val	-
Asn-Leu-Pro-Ile-Asn	-
Leu-Pro-Arg-Leu-Pro	-
Phe-Gln-Arg-Lys	-
Leu-Asn-Ile-Leu-Thr	-
Val-Leu-Leu-Ser-Cys	-
Lys-Arg-Leu-Glu	-
Ile-Phe-Ala-Gly-Lys	-
Thr-Tyr-Arg-Lys	-
Ser-Arg-Phe-Lys	-
Lys-Phe-Val-Leu-Val	-
Arg-Arg-Lys-Ser-His	-
Ile-Leu-Ala-Ile-Val	-
Ser-Lys-Phe-Leu-Lys	-
Arg-Lys-His-Arg	-
Ile-Glu-Val-Asp-Leu	-
Val-Ile-Leu-Asp	-
Arg-Asn-Val-Arg	-
(Z)-2-tetracos-15-enamidoethanesulfonic acid	-
Arg-Lys-Asp-Lys-Glu	-
"7-[3-(Dimethylamino)propoxy]-6-Methoxy-2-(4-Methyl-1,4-Diazepan-1-Yl)-N-(1-Methylpiperidin-4-Yl)quinazolin-4-Amine"	44251522
Ile-His-Arg-Arg	-
Leu-Val-Val-Val-Asp	-
Leu-Leu-Ser-Pro-Tyr	-
Arg-Thr-Ala-Arg	-
Ala-Gly-Pro-His-Lys	-
Asp-Lys-Arg-Glu-Lys	-
Arg-Tyr-Asn-Glu	-
Val-Tyr-Gln-Lys	-
Phe-Ala-Arg-Gln-Lys	-
Lys-Leu-Thr-Ala-Ala	-
Arg-Leu-Val-Glu	-
Val-Pro-Glu-Pro-Lys	-
Lys-Tyr-Val-Met-Leu	-
Asp-Lys-Tyr-Asp	-
Trp-Leu-Lys-Ser-Asn	-
Phe-Val-Asp-Lys	-
Ile-Thr-Val-Lys-Leu	-
Asn-Val-Ile-Glu	-
Lys-Lys-Lys-Gln-Tyr	-
Asp-Glu-Leu-Val-Ile	-
(2R)-3-(5-acetamido-2-hydroxyphenyl)sulfanyl-2-azaniumylpropanoate	40428953
Abu-Asp-OH	-
Ile-Leu-Arg-Lys	-
Leu-Gly-Asp-Val-Ile	-
Thr-Lys-Gln-Lys	-
3-HYDROXYDEOXODIHYDRODEOXYGEDUNIN	-
Pro-Asp-His	-
Asp-Met-Leu-Asp-Leu	-
Asn-Ser-Lys-Ile-Val	-
Arg-Leu-Leu-Pro-Ala	-
Leu-Lys-Ala-Val-Val	-
Ile-Tyr-Lys-Ile-Arg	-
Ala-Thr-Ile-Lys	-
Lys-Gln-His-Lys	-
Ala-Asp-Arg-Arg	-
Leu-Leu-Lys-Gln-Gly	-
N-methylundec-10-enamide	17825027
Leu-Ile-Thr-Arg	-
Phe-Ile-His-Arg	-
Ser-Ile-Lys-Gly-Lys	-
Lys-Asp-Thr-Lys	-
Pro-Glu-Glu-Leu-Gly	-
PGF2 dimethyl amine	-
Arg-Glu-Ser-Leu-Glu	-
Leu-Lys-His-Glu	-
Thr Tyr	67035959
Ser-Leu-Pro-Tyr-Ala	-
Arg-Glu-Ala-Phe-Arg	-
"(2R,6S,7R,9R,12S,16S)-6-hydroxy-15-[(1S)-1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one"	16745397
GW-9662-d5	-
Asp-Pro-Lys-Ile-Ala	-
Phe-Tyr-Leu-Leu-Tyr	-
Carbaprostacyclin-biotin	-
Tyr-Ile	7019109
Ser-Gly-Glu-Leu-His	-
Lys-Val-Ile-Arg	-
Leu-Tyr-Val-Lys	-
Leu-Leu-Leu-Ala-Ala	-
Oleic Acid-biotin	-
Ser-His-Thr-Arg	-
Lys-Thr-Gln-Lys	-
Asn-Leu-Ser-Pro-Asn	-
Ser-Thr-Arg-Asp	-
Arg-Ser-Lys-Arg	-
Boc-Pro-DVal(NMe)-Val-OMe	-
Leu-Ser-Glu-Lys-Tyr	-
Ser-Arg-Glu-Val-Ser	-
Ala-Lys-Gly-Arg-Val	-
"(3'x,5'a,9'x,10'b)-O-(3-Hydroxy-6-oxo-7-drimen-11-yl)umbelliferone"	3725594
NBD-FTY720 phenoxy	-
Leu-Ser-Ile-Arg	-
Thr-Ser-Arg-Ile-Ile	-
Pro-Ala-Asp-Lys-Thr	-
Phe-Lys-Gln-Lys	-
Asp-Val-Ala-Ser-Glu	-
Leu-Phe-Asn-Asp	-
"(1S,9S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene"	15978237
Tetranor-12(S)-hete	91886153
Ser-Leu-Lys-Ala-Ser	-
Asn-Gln-His-Arg	-
Asn-Asn-Leu-Asn-Val	-
Lys-Lys-Leu-Phe-Tyr	-
Thr-Ile-Pro-Ile-Thr	-
Ser-Tyr-Tyr-Gln-Ser	-
Lys-Lys-Leu-Ala-Gly	-
Ser-Arg-Ala-Lys	-
Arg-Ile-Val-Leu-Val	-
Ile-Glu-Arg-Asp-Phe	-
Val-Gly-Lys-Ser-Leu	-
Pro-Lys-Lys-Val-Gly	-
Asp-Asp-His	-
"6-Cyano-7-nitroquinoxaline-2,3-dione"	3721046
Ala-Leu-Val-Arg	-
"6-(2-Acetamido-2-carboxyethyl)sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid"	4341
Medica 16	121871
Abu-Abu-OH	-
Lys-Leu-Thr-Arg	-
Ala-Val-Lys-Arg	-
6-Desmethoxy hormothamnione triacetate	-
"9,10-DiHOME-d4"	126456327
Val-Asn-Leu-Pro-Ile	-
Leu-Leu-Leu-Leu-Ser	-
Oleyloxyethyl Phosphorylcholine	21668182
Tetranor-12R-HETE	5282970
"(13E)-labda-7,13-dien-15-ol"	639636
"(3aR,5E,11aS)-6,10-dimethyl-3-methylidene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2-one"	135397927
TG(14:0/14:1(9Z)/14:0)	131753413
"TG(14:1(9Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))"	131758743
TG(10:0/18:0/i-16:0)	131778470
TG(10:0/20:0/8:0)	131778100
"[(2S)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate"	53480574
"2-[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1,4-dihydronaphthalene-1,4-dione"	11954010
Phenylalanylcysteine	18218231
"(3r,7r,11r,15r)-3,11-Bis[(5r)-2-amino-4,5-dihydro-1h-imidazol-5-yl]-7,15-dimethyl-1,9-dioxacyclohexadecane-2,10-dione"	135438603
gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine	49787003
Sinapine	-
"(1S,3S,4S,6S,7S,8R,11S,12S,14S,15R,16R)-15-[(2S)-2,5-dihydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-4,6,14-trihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid"	101063335
"3-[3-[3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]propanoyl]benzoic acid"	135613041
"5,11,17,23-Tetrasulfo-25,26,27,28-tetramethoxycalix[4]arene"	656718
"5,9:6,9-Diepoxy-3-megastigmene"	73817712
"(1R,2S,3S,4S,4aR,11bR)-1,2,3,4-tetrahydroxy-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-6-one"	118701486
"Cdp-DG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	131822612
"1-(9Z-octadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol"	9543890
"(3S,2'S)-4-Ketomyxol 2'-alpha-L-fucoside"	23724613
"(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-5,6-dihydroxy-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol"	122377971
Hydrogenobyrinate diamide	5280943
TG(14:0/15:0/14:1(9Z))	131753244
"(2S,2'S)-Oscillol 2,2'-di(alpha-L-fucoside)"	23724690
"(1R,2S,4S,6R,7S,8R,9S,12S,13S,18S)-6-methoxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-one"	102444970
1-Myristoyl-3-osbondoyl-sn-glycerol	131801706
"3,4,5-trihydroxy-6-({14-hydroxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.0(2),.0(3),.0(1)(3),(1)]nonadeca-1,4,9,11,13(17)-pentaen-11-yl}oxy)oxane-2-carboxylic acid"	131832589
1-Stearidonoyl-3-eicosapentaenoyl-sn-glycerol	131802066
METABOLITES_END
#END