#METABOLOMICS WORKBENCH LuLabIUB_20251106_075506 DATATRACK_ID:6629 STUDY_ID:ST004432 ANALYSIS_ID:AN007414 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                      	NEGATIVE
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
Azelaic acid	698566.27	627148.34	551554.87	707591.19	646943.11	926340.27	705856.66	702028.21	771783.73	920277.54	884804.36	613640.48	582982.86	538214.24	541941.45	615150.89	641159.24	657667.57	562943.77	786692.3	531724.94	593394.95	880624.69	727258.0	550139.92
2-Mercaptobenzothiazole	320984.77	286400.95	298178.85	296962.26	295218.82	307997.53	469138.48	295596.17	292702.66	284360.38	284616.39	301723.52	304942.35	311534.12	310347.48	315232.42	316164.41	491541.9	325108.79	320004.47	323099.69	322630.49	325318.22	366478.04	319491.11
Suberic acid	150899.41	123920.27	127531.42	131480.05	128501.97	187105.84	166049.83	132960.87	146632.61	173126.63	174021.29	128193.29	112325.95	115103.4	116481.37	127158.1	119936.96	165854.6	117313.52	157074.05	110235.6	129305.59	152870.73	128380.95	113320.03
N-Acetyl-Neuraminic Acid	1027633.73	998752.67	1006716.04	1006814.1	1017681.41	971521.75	728410.58	920479.89	952720.23	883260.45	1082127.6	1061337.89	1047417.21	1085939.56	1043336.95	1077117.6	1023755.05	685416.5	950691.2	1123804.33	1061610.06	1242360.9	1079444.84	1158863.72	1228935.92
Monobutyl phthalate	331219.43	341138.97	277595.7	378185.6	325070.66	481518.54	378655.33	458582.23	476542.17	534074.09	418810.71	327086.42	306278.71	267179.21	319279.28	342573.65	361668.21	337458.74	311276.44	442069.95	255723.16	346648.29	409769.79	360888.19	286059.05
Vidarabine	65965.03	97171.19	42036.5	39883.65	42882.64	22761.53	31494.24	27721.41	54327.2	27530.63	62470.69	60542.46	31974.33	47519.7	20389.47	32742.58	60335.05	61863.34	60720.04	26663.53	20059.63	19894.8	23360.72	26249.04	26603.17
"3,4-Dihydroxybenzeneacetic acid"	3183.19	2582.66	2234.66	1911.86	3081.84	4252.7	3210.34	3654.74	2647.88	4395.0	4008.13	4960.68	2500.85	2552.03	2877.77	2941.74	3904.1	1869.44	4617.15	4689.81	2384.88	2606.75	6802.74	3698.86	2542.64
"cis,cis-Muconic acid"	264179.92	96643.7	119835.58	541815.72	68646.52	76939.58	58015.94	71101.54	108428.35	78943.41	73404.02	107952.02	41396.93	79922.22	66827.98	77642.83	80722.11	89276.15	369945.9	368386.01	463133.26	227633.26	410248.12	91845.87	99070.33
epi-Lipoxin A4	224409.63	391667.48	280634.65	233647.51	242552.73	413044.88	432602.25	417495.33	384714.24	330350.16	231083.06	229323.94	155230.3	326349.87	287340.91	366150.2	293910.98	351118.9	360456.29	423046.92	280771.15	218429.68	211884.59	268882.29	198857.42
Riboflavin	18133.0	21880.89	15580.74	15920.28	16437.2	13718.89	13009.1	12813.13	16885.15	11495.9	12592.69	12740.76	10837.03	12055.7	11182.08	12109.68	12237.03	12005.17	10710.03	11772.52	9004.91	16554.02	9411.75	11143.54	13667.0
Undecanedioic acid	88375.49	78599.31	74671.07	89280.88	86363.09	116412.9	86608.29	87952.99	90379.79	113688.63	97407.21	81888.48	75380.39	71092.71	73395.41	75664.08	83481.26	82334.76	67479.2	103275.58	69445.4	73711.9	107089.06	85688.91	71486.71
Arabinose-5-phosphate	292551.52	309150.45	310215.03	322766.65	326926.84	249351.26	176670.77	321407.7	289451.85	295515.38	443822.14	451923.22	403695.28	400774.16	289413.97	325438.26	373532.21	307997.3	366220.05	314245.17	348109.63	229645.78	288015.8	361047.57	345948.48
"1,11-Undecanedicarboxylic acid"	56556.07	52482.04	49650.03	57037.91	52089.22	62360.59	67438.66	61448.64	58020.51	71741.18	60004.08	58116.02	48996.43	45053.48	47129.08	49655.99	52693.64	61720.88	44494.47	50678.88	39221.89	41845.89	60396.0	57683.64	43599.28
3-Hydroxymethylglutaric acid	48854.69	43100.77	46602.66	45506.29	39665.62	72268.76	87765.54	67972.62	71253.21	67809.24	63947.24	71427.74	84795.76	58641.7	69434.79	83787.24	77049.73	54884.34	52547.42	61804.15	45277.85	57737.51	43275.99	97087.38	117759.91
2-Hydroxy-3-Methylbutanoic Acid	7791.69	2959.8	9458.47	12321.67	4492.69	9716.92	13438.07	25005.06	30280.15	30048.32	9985.62	7958.4	6530.78	7947.73	5736.44	6921.88	9473.65	18217.82	17095.05	27477.8	9345.89	7873.2	14482.43	7837.71	6170.87
Dodecanedioic Acid	24977.8	19931.06	20284.17	21743.04	20020.59	25283.92	27455.2	21996.69	24135.19	27541.34	24668.94	21771.27	19101.87	19161.78	19152.99	22437.21	22623.45	27605.41	20482.87	26160.9	18754.63	21328.99	28219.47	21901.27	19219.21
FFA(18:2)	171179.7	141882.89	129347.04	129550.96	162551.2	98940.44	109106.59	75080.98	95523.66	82452.38	97679.2	180777.06	117988.11	80700.32	121474.56	82993.35	97966.25	92152.43	108408.44	107729.19	99556.11	205687.67	108218.17	116554.52	182648.83
Dodecanoic acid	8729.87	8999.41	6950.51	9686.65	8555.62	11065.65	8075.77	7022.47	11563.7	9327.51	6706.61	7788.89	6924.9	6055.32	15249.63	12648.83	6861.59	14772.09	11817.22	15598.05	7525.84	12133.45	12642.19	14675.62	21911.44
Xanthosine	384143.53	321241.29	337134.09	386366.77	420645.6	408248.65	311970.08	357425.77	355390.63	330029.91	299638.56	277701.15	259662.04	253691.96	317384.84	266433.47	188470.08	203455.17	221887.22	253877.68	239997.48	330287.53	279796.32	226924.8	334780.81
Pyrophosphate	129818.38	125438.64	124804.53	97160.39	121331.73	88285.84	110430.53	53263.51	75621.86	96393.25	41457.25	59024.79	71617.63	71299.58	94831.45	70347.82	75014.65	110421.24	62555.63	82360.31	88483.25	120247.18	95723.55	71747.85	95715.7
Pimelic acid	18695.24	12429.76	16885.88	17269.31	15250.7	27476.77	21097.76	19836.68	18392.1	28242.17	24254.18	14127.0	12212.07	27675.32	15184.61	35180.03	24559.62	17493.04	15430.77	19948.53	14166.1	13510.26	20065.03	21105.06	11727.97
12-Hydroxydodecanoic acid	16815.55	14729.21	14927.63	19473.15	15305.9	27705.01	25051.03	17482.31	22146.98	21762.94	18440.67	12202.26	14013.69	14558.91	18756.74	19995.35	19831.36	17432.65	13399.32	16620.32	13204.44	20803.84	17396.98	21384.46	10522.96
3-Hydroxybutyric acid	11795.16	13530.31	4517.88	4681.88	5092.38	80629.28	19064.35	35750.22	83382.15	98364.75	14387.26	11565.24	59134.88	15535.24	21083.12	19634.48	52203.72	15569.09	44591.31	132012.86	16396.99	10476.9	5719.91	71302.69	92879.83
2-Hydroxyhexadecanoic acid	4011.47	4688.84	3306.32	3617.11	3401.36	4010.82	4544.76	5206.46	4200.36	5076.33	4202.35	4336.7	2748.3	5006.2	3715.79	4976.23	3416.16	5839.37	4488.08	6962.83	7525.52	6533.37	6237.33	4610.67	6122.85
N-Acetyl-DL-methionine	32823.92	29631.34	19597.07	29429.32	26130.06	24062.56	21734.9	17746.96	26993.05	26670.33	33010.63	27041.65	29075.64	32912.23	52001.81	34123.49	44693.91	41136.76	48023.08	32358.54	31897.35	44599.6	30646.55	51656.25	103851.27
Multifidol	96879.17	87343.56	80191.92	96218.72	92048.68	128819.58	98727.71	98821.87	108855.83	124929.4	128641.75	91995.72	94464.98	75756.38	84502.58	94396.94	95956.95	106858.38	91237.24	122788.54	85319.28	97349.04	147162.81	114157.77	90297.98
cis-3-Hexenyl acetate	5933.84	6656.87	4857.51	5005.54	5938.62	4595.05	3730.65	4267.02	1420.13	3420.96	4500.62	2795.97	2123.94	2384.43	2865.09	2810.18	6248.63	3174.07	4458.14	1237.09	4919.97	1944.39	13579.93	2552.56	3431.95
"Glycine, N-[imino(phosphonoamino)methyl]-N-methyl-"	3450.07	4805.21	3393.76	1798.97	7763.47	2759.2	17082.13	8377.03	6648.48	7719.1	2236.79	1875.12	1085.89	4448.72	1363.73	7954.06	2866.73	6887.55	1032.97	5586.38	1279.99	1720.9	1412.91	2603.84	1734.39
Dinoprostone	124975.96	233964.2	164804.58	127417.91	136845.33	239907.55	250339.78	258538.71	227229.28	193025.78	139719.99	137608.85	91444.29	108196.67	175992.59	169793.96	171724.99	203851.38	210718.56	232589.81	195381.26	128917.5	122576.69	156147.51	112569.24
Traumatic acid	17939.59	12292.16	13128.95	16280.99	12162.35	19531.73	26687.57	26241.62	20576.31	22221.8	16475.34	10517.26	12826.52	19339.27	23103.48	23445.83	24062.76	22329.87	17383.73	21063.88	5147.44	26392.85	16569.39	28724.61	11158.61
Furfural diacetal	15906.7	13158.43	15092.64	15768.17	16111.52	19354.92	16962.09	17994.96	19771.94	22397.9	19518.96	15020.46	14297.65	17318.2	14849.16	20049.73	19976.26	17565.47	13140.2	27335.42	22044.8	14311.99	16935.39	21085.95	11002.13
delta-12-Prostaglandin J2	1947.71	3952.76	4161.14	2215.01	3988.62	2198.32	7456.62	10683.23	7019.96	6051.09	2162.75	1673.77	1605.44	3744.55	4156.5	16157.27	5859.29	3473.31	3149.17	7859.19	4607.6	3834.48	5026.22	4825.63	1617.19
Phosphoenolpyruvate	4292.43	2991.86	2281.6	3492.08	10860.54	2421.67	6634.72	23988.15	15392.66	3336.34	538.01	2948.1	898.5	5131.84	2388.92	7993.77	5893.77	6575.33	6872.2	11669.93	3967.96	23083.68	3161.33	18555.75	17067.6
Indoxyl sulfate	7246.28	10727.66	20620.44	6262.47	23103.78	7163.81	5675.62	34189.77	6626.89	8672.01	1943.85	2887.07	4816.28	1008.0	549.54	3499.75	2580.92	1640.38	3582.21	2463.81	10320.84	9053.17	9945.32	13827.19	1297.4
Pravastatin	55612.84	58393.69	70267.29	48082.27	60647.49	98648.68	83031.94	190205.88	65526.73	66665.68	113182.65	71703.84	30902.36	102746.06	1361.39	50459.98	39421.2	61891.67	21969.07	51440.7	113686.84	62089.04	10008.09	37778.75	44948.57
"5,8,11-Eicosatrienoic acid"	49892.47	23568.56	30121.03	44313.95	49665.62	33365.24	40592.26	18220.14	43705.33	27985.98	34973.59	35598.58	36090.16	25923.99	28016.3	31015.69	13295.43	12122.61	25269.24	22052.2	29814.94	54862.89	28750.44	27218.22	45236.0
Glu-Leu	39456.87	40126.32	31618.32	35695.44	42108.48	26701.76	27082.05	30040.84	38589.22	32958.06	25085.01	23554.16	19298.79	21700.19	26115.68	18853.46	22282.26	20235.89	23872.14	23160.74	19741.83	27422.54	22508.34	21108.04	25324.23
Glutamine	352413.4	392768.94	360067.39	322858.92	341994.73	369901.47	459855.19	511545.52	437031.56	440941.65	342252.32	311680.14	231775.77	320542.37	396655.83	378562.58	324711.97	415203.39	375574.15	507191.83	382859.27	388931.94	408639.65	356555.22	390338.58
N-Acetylglucosamine 1-Phosphate	114740.49	115339.26	101649.77	96606.1	96559.12	114380.17	71790.8	108075.67	108381.67	94844.37	74049.94	88377.42	104849.95	94172.63	83613.24	129250.81	139116.42	124417.39	117986.1	112077.71	87752.16	82369.47	80129.22	96752.9	85525.53
Coumestrol	182075.14	65168.66	69030.51	235098.71	160152.39	92561.29	133140.25	133766.0	142196.52	134932.78	105600.06	118645.88	114547.46	212502.99	148057.31	201175.08	212789.26	278889.62	51096.69	105791.85	53733.43	61636.69	63692.79	92979.03	63839.73
2-Methylguanosine	37593.51	23863.7	39373.94	24059.68	31070.58	26286.04	19768.06	23601.91	21787.99	21799.72	21015.66	22515.18	16188.04	13023.07	12628.93	16186.42	14122.49	10991.24	8400.73	15642.64	3084.43	20240.87	8776.33	9741.27	8794.66
L-Gulose	117859.15	108333.55	117201.42	112665.22	97842.17	104907.09	145454.75	82703.37	116644.02	111869.68	94925.21	90856.73	90768.74	76202.53	84351.42	111307.83	96672.3	132375.65	47303.23	111762.45	107184.72	99503.35	70088.91	104099.99	84569.76
Sebacic acid	53125.68	50700.94	46296.86	54320.93	50588.96	72671.32	62671.75	56118.28	60097.66	72722.31	66716.53	47543.98	42505.52	61436.5	47900.95	87604.99	55629.28	62324.15	45612.52	59872.92	45706.42	48183.45	66545.9	63957.57	45415.53
"1D-myo-inositol 1,4-bisphosphate"	1249433.32	1292692.04	816751.12	668141.93	1059928.62	1755001.92	1914259.17	1465784.47	1135188.24	1346317.84	1633691.39	1480463.47	1633370.26	1244554.17	513987.61	841275.46	1085141.72	1457270.52	859002.19	1324518.57	1266846.2	519947.51	687763.65	895731.12	509469.13
FFA(22:6)	346443.35	354363.63	375837.87	364015.08	357951.82	339563.31	372424.64	322163.16	322407.23	321188.99	362156.36	350009.38	314900.83	273305.53	329386.39	308424.65	258645.49	397555.99	394670.0	391059.89	322854.93	437051.91	398214.02	358567.59	421786.55
"1,6-di-O-phosphono-D-fructose"	89748.79	68876.39	60442.52	50040.82	74836.02	125200.89	124122.61	107602.29	83146.25	93815.83	84827.19	106328.56	114684.75	92437.2	39340.28	62032.15	76466.53	104265.07	55667.09	113803.98	93402.14	34890.92	46008.77	58526.43	30945.72
Hydroxyphenyllactic acid	30145.83	29194.99	46365.08	35329.92	32673.68	11128.83	19385.27	21685.2	12548.0	13959.22	20831.27	36718.1	44779.69	33210.48	27743.39	32571.0	40631.88	30128.03	26468.31	1733.07	37227.83	43746.53	28782.96	28025.64	32620.07
Pantetheine	17194.42	12812.06	13062.27	14853.32	21273.4	16762.75	17514.1	16538.93	24291.89	21445.87	20168.58	14526.38	14691.08	15740.97	16554.32	14052.64	16563.67	19838.02	12211.97	30635.55	31147.09	21044.03	27763.68	19441.73	21282.53
"3,4-Dihydroxyhydrocinnamic acid"	27629.68	23744.5	30442.25	41125.21	37018.26	28108.37	25733.39	20848.58	23629.4	18917.23	24387.42	27459.59	22132.02	15659.47	28552.71	22623.16	15489.68	12988.41	14539.44	22885.07	21210.57	38971.3	29808.74	16175.04	23950.62
Galactose	6175.08	6804.87	3504.41	14618.84	13640.0	22188.43	8724.36	10607.96	19376.26	27133.9	11282.67	9411.87	6123.54	8961.9	8747.14	15163.58	9002.45	9405.89	12521.95	12983.95	4546.43	9419.2	9049.21	6796.65	7018.63
FFA(15:1)	110331.71	120132.31	101880.51	128947.09	128677.92	140036.51	150474.55	159345.23	168139.49	177205.99	164145.07	142154.14	130707.16	119589.82	138848.85	141220.64	137990.92	151885.44	147234.1	165271.95	120947.67	163247.21	155757.65	152791.57	133472.83
3'-Adenylic acid	33473.64	27100.96	27866.77	32601.58	37088.92	41942.68	41650.74	56411.09	79243.14	81489.87	52919.46	81623.92	66653.39	62933.66	48675.63	92027.66	79766.08	53735.21	57782.87	44672.19	54127.09	23879.11	43945.48	55515.97	61798.03
Ribulose 5-phosphate	30404.72	13765.89	18722.14	11692.88	16407.96	27313.81	70729.72	49932.09	47513.27	70940.42	28395.56	36073.22	83117.85	87187.36	8664.73	33788.68	41106.96	65294.16	19836.7	26689.71	73120.58	4446.33	13116.06	21391.09	4990.87
Salicylanilide	58122.69	50814.01	50432.59	51140.13	49796.35	50084.86	76427.16	58016.67	52824.57	52551.44	53437.5	54025.3	58427.95	67052.12	60667.82	61143.22	60319.46	79343.31	58601.94	62032.77	61004.52	68664.46	57503.1	56959.93	62162.27
"2,6-Dihydroxybenzoic acid"	1425.7	1859.86	1892.27	2334.9	1791.57	2809.29	2145.05	2660.52	2717.28	3778.88	3212.61	722.71	868.16	1664.56	1525.32	982.06	3165.51	659.75	1739.99	1636.84	1136.31	700.24	2496.6	646.22	779.2
Sulfanilamide	7791.48	9901.12	55803.72	49579.14	64660.32	272698.24	40226.2	7744.44	241687.76	452352.47	82124.63	81277.92	173803.39	13693.63	24863.03	17194.53	132580.69	173932.07	68452.11	641438.9	11077.1	4354.01	70696.78	264110.94	392607.08
Glu-Tyr	48864.97	30277.69	33328.07	45500.5	33009.15	47383.84	30254.36	50321.12	51650.36	27020.59	47411.68	49381.87	51154.31	35155.36	53209.82	43352.78	38813.25	39826.97	45772.44	41437.21	50604.84	55907.81	49022.39	48511.1	66389.14
Xylose	35410.38	14758.36	64695.09	59100.54	12918.58	44289.63	76859.37	54015.06	79173.79	60147.06	99363.78	89176.3	69643.3	64960.96	88958.42	73503.67	76669.07	55633.96	47111.12	67714.16	86389.72	66362.58	82038.3	97917.73	81281.5
N-Acetyl-D-glucosamine	12145.24	6419.47	9100.5	11673.22	8044.53	3731.07	1682.84	4209.78	5070.22	5253.74	8412.81	7485.64	7100.12	3958.72	2801.08	2890.43	2866.93	5028.38	5997.11	3154.04	5061.33	9163.09	7372.17	4949.29	3108.18
Pioglitazone	49354.87	45307.89	47012.3	41616.99	48143.12	41067.91	36415.59	41001.39	39161.64	36614.82	38159.86	37785.6	35630.88	39515.59	42812.6	35456.67	36738.6	33532.76	36806.5	36499.7	39475.1	34170.62	38988.21	44547.93	33227.47
6-trans-12-epi Leukotriene B4	1583.48	92493.16	25446.99	56557.45	74393.16	160506.91	73401.04	228754.91	127649.52	197192.11	112112.93	154897.61	235105.95	130981.61	130112.95	341.24	232942.81	146568.89	53709.38	180294.98	82022.03	395451.2	99721.09	141428.81	227454.86
(-)-Arctigenin	2959.26	5720.73	3233.15	2864.78	1195.0	7285.9	5966.19	6700.67	6133.08	4821.54	2653.55	2233.54	2396.78	1925.79	4729.56	5094.58	4164.68	7197.56	5856.39	3868.44	4935.73	3999.7	2577.96	3388.66	4244.55
"2,4-Di-tert-butylphenol"	17189.5	14392.71	27097.91	16938.19	18924.28	21350.5	38929.8	22714.38	44386.32	26412.39	22138.7	17303.1	20181.73	19177.37	33749.59	32727.63	33442.01	18990.04	23214.14	23808.22	28114.68	22937.54	46386.52	36941.97	19139.0
Xanthopterin monohydrate	19148.69	16449.8	7871.36	4093.03	2893.46	46890.03	50294.84	11989.5	87169.92	105385.68	12676.89	11021.0	89362.64	30344.33	35754.07	38421.93	75936.23	135657.28	58241.1	151565.1	32339.53	23611.09	10860.48	124429.93	134634.57
Amifostine	70305.67	75502.51	75950.67	72145.62	80973.02	68666.7	73349.61	63720.74	82578.98	71477.12	32687.26	66020.11	71187.88	72750.46	39022.82	60180.23	70054.61	55969.03	55526.43	29715.1	68155.22	70951.23	68116.13	69636.85	63104.22
Hydroxyoctanoic acid	4545.18	5379.1	3725.79	4805.39	4767.15	6831.56	5197.01	6357.31	5524.24	8393.3	7266.73	7130.21	4641.8	5200.42	1080.92	12475.56	2765.2	4890.74	5825.63	2757.51	2305.61	3520.89	10727.94	5441.39	5413.6
(R)-Equol	16921.47	24823.08	7712.03	13562.29	11931.75	13298.86	24931.04	21328.23	9748.87	10699.18	17302.54	22946.05	24980.49	18439.74	14708.58	19318.29	16041.39	12361.39	10874.58	11369.53	6150.86	27713.24	9750.86	16297.1	16221.98
Fludarabine phosphate	14175.29	12722.29	12623.82	9883.66	13417.96	21663.65	10497.6	12852.46	17605.31	18993.71	19086.79	11739.34	8510.84	9013.3	9523.55	12335.25	13033.91	11943.99	11192.29	17371.28	10515.82	11705.96	17081.76	11939.48	9687.07
Myristoleic acid	43407.62	47094.88	36628.0	55124.71	50390.61	61927.06	55036.7	80819.84	83192.07	84751.82	80063.77	52956.56	44725.06	42766.91	53261.11	52625.87	55127.0	59054.97	51207.72	70401.47	39514.46	60136.46	61145.31	58809.15	47248.08
Nalidixic acid	71034.05	68620.48	71495.16	76880.29	72189.91	73419.56	73122.2	77414.38	71642.99	68052.47	77623.42	74095.41	74903.11	76476.29	78152.79	74212.53	77356.1	71440.04	74017.34	73739.02	73097.36	76653.72	74738.89	74631.82	68876.1
Tyrosol	5669.33	5909.31	6950.35	9802.04	8654.24	6482.19	6267.16	4530.88	4759.39	3586.02	4950.18	6936.11	4345.74	3001.15	5324.3	6300.45	2776.41	2725.93	2899.29	5007.53	4160.02	6814.41	6232.9	3355.95	3569.72
Amylmetacresol	13385.01	10937.3	10026.7	12050.64	10507.5	8155.65	17269.12	12717.98	13696.18	14233.41	10333.73	12005.23	13980.15	12857.45	14635.97	15785.51	13001.21	21442.26	14288.52	12609.44	12852.89	14996.04	12535.69	14282.8	12504.01
prostaglandin A2	95571.42	171178.27	126199.09	100764.94	108577.4	186865.24	186500.81	189367.25	170174.37	138933.1	112280.43	103725.11	68731.01	83298.11	128513.17	126980.43	131709.29	156656.68	161994.8	149376.96	124760.13	96680.99	92711.6	118414.64	93864.33
Forskolin	5908.25	5249.25	4351.4	3808.9	2418.5	1780.86	856.53	1420.07	2705.27	1310.77	2180.42	3126.43	5712.29	2072.73	5332.93	4696.56	6250.14	3303.55	6033.37	7157.7	3857.77	6074.23	3927.95	4197.75	2304.55
Sinapyl alcohol	4936.32	8610.67	6008.05	2940.38	5676.72	16165.01	8722.34	9331.8	9975.82	15451.53	12485.79	5541.36	5737.26	5321.48	5669.13	7368.41	7152.92	7986.2	4968.16	9383.91	4981.14	6547.26	15366.36	9555.48	3586.08
Norlichexanthone	3986.68	79574.74	18325.95	23983.79	7789.13	11670.34	12985.74	2492.26	18586.12	11277.56	1369.56	1592.1	4604.76	2640.67	17805.0	9272.42	6598.32	11864.28	16842.35	18402.08	32735.96	2058.12	33619.14	3243.57	13937.71
2-Cyclohexyl-2-hydroxy-2-phenylacetic acid	35868.3	65799.66	50972.09	37372.27	38996.04	68956.1	71785.07	74093.77	65501.83	57197.48	37324.54	38226.67	26174.02	29237.79	47587.58	46012.76	46405.73	59174.34	59019.85	53321.72	46383.25	36113.86	31815.27	43635.37	32675.74
Cortexolone	13473.26	4487.89	2216.82	5242.61	9098.3	17991.29	13161.96	6932.76	18217.79	28844.34	19063.33	3609.45	4231.25	7561.56	12792.95	6036.29	6896.23	11245.13	10259.83	19156.95	6224.71	6964.99	17613.66	5018.43	11738.99
Geniposide	17324.35	16855.71	17645.34	18333.8	19658.93	17018.02	17703.63	16861.41	14308.58	17040.53	16117.13	16286.42	14976.08	17210.49	17935.87	20749.72	17172.07	18961.42	16952.69	16921.92	17583.51	16656.27	16906.33	18080.37	17344.52
Ribavirin	6404.77	6561.37	2236.92	1018.24	1954.56	47696.25	7951.25	5742.45	46016.39	49599.76	5582.95	6104.04	40058.21	7896.49	12576.66	9742.45	29665.45	16263.08	26119.14	57483.75	4923.72	5478.92	3941.35	45988.8	53762.55
Brinzolamide	10765.58	11116.75	10810.52	11276.84	7994.51	16371.8	7267.11	16833.65	11906.77	10129.6	11616.26	10254.77	8620.98	8581.68	8610.27	8162.43	11979.45	8965.82	3422.9	7450.3	1211.43	5853.76	3072.47	7732.65	6627.29
Rabeprazole	77025.83	73838.0	74699.85	72663.82	82095.39	72052.64	73120.97	68187.09	62737.75	68546.76	57280.22	50636.13	64082.08	61912.64	62951.02	36599.96	53085.54	54383.88	51298.17	50847.0	52969.26	53349.09	56303.48	51154.65	51009.06
3-Methylsalicylic acid	79623.94	73680.58	59589.48	86631.9	75202.16	106887.51	88098.27	110496.4	108567.13	122483.11	105055.36	77172.03	75380.02	72398.87	80936.44	87378.85	97342.83	86750.98	80742.99	116875.7	68360.78	94323.62	99769.03	100692.46	83860.48
Pectolinarigenin	678.29	593.6	596.02	766.57	638.99	452.88	1588.3	526.61	233.97	910.69	218.03	753.59	685.33	918.64	758.75	778.73	729.64	1115.01	762.11	650.96	1134.58	1113.46	325.06	839.51	694.32
Fructose	289269.95	255246.67	248330.5	262334.29	268574.65	327820.71	314017.24	253970.18	288030.19	325340.5	242313.84	233859.06	230370.4	229890.25	232654.09	239571.04	256453.01	294246.59	277584.59	301437.0	299214.36	260773.5	239702.45	228170.25	242529.84
Fludrocortisone acetate	4666.75	1657.42	3110.61	1601.72	1235.45	2142.34	6128.92	12482.56	6897.95	5787.89	11873.12	7405.69	6282.17	7138.1	11909.73	8571.72	13188.49	11997.84	8928.66	13814.37	2564.3	11621.9	8097.41	11804.38	10412.54
2-(Pyridin-3-yl)-1H-benzo[d]imidazole	7000.06	3322.63	3167.52	4685.36	5514.88	11381.17	4540.68	4493.23	3956.19	8014.78	11958.04	2641.16	3139.07	2997.08	2446.24	4690.15	4818.36	4059.66	4337.36	8700.97	2569.35	6537.61	5794.09	5351.05	4287.93
Scopoletin	10448.74	15320.67	10012.44	14413.17	9255.69	13267.34	11066.17	12611.79	17440.05	19229.06	18132.59	9092.9	8754.56	7983.06	8484.91	5114.29	8318.74	8964.34	3484.13	6887.01	3159.59	4656.63	15169.85	9713.57	4148.72
Gamma-CEHC	25758.66	24028.58	19982.83	22965.26	18695.01	47068.04	22580.74	15705.99	41332.8	35124.66	25738.86	18664.31	15960.7	21282.44	17311.81	21146.12	11935.11	20049.98	16140.69	26196.71	26544.25	19912.41	28818.1	18024.53	16713.76
Valsartan	18241.72	26264.7	23602.87	15796.6	17155.12	28893.85	31349.31	34954.05	33272.24	24128.73	19912.05	17556.98	11627.03	19022.88	23572.37	23567.99	24838.8	29786.61	31656.77	27145.9	24274.42	19344.2	20420.07	20625.89	17738.48
Nodinitib-1	9894.28	9493.04	8005.38	9863.42	10317.33	15628.82	9462.58	11164.97	12132.25	13218.08	11694.89	8943.02	7702.46	8190.62	9201.69	10234.06	9010.78	9673.68	8203.05	12250.83	6903.93	9249.77	11808.17	11441.27	7680.3
2-(2-(4-Bromophenyl)-6-methylpyrimidin-4-ylamino)ethanol	153241.99	139715.1	145022.74	145470.62	150111.2	146196.76	141192.34	158263.13	149131.26	150870.45	164596.54	183711.53	173745.37	173157.55	174515.76	185614.99	176068.31	175156.77	171490.14	176680.74	187125.69	185193.78	174335.26	194212.31	176588.99
Trilithium citrate tetrahydrate	278894.64	258927.64	223613.7	283772.61	257210.52	778335.44	531498.43	460191.81	423432.51	414054.39	407592.39	516414.04	747916.11	371455.76	620802.49	591732.77	446778.25	349980.86	329383.19	425824.06	232500.04	384760.55	310143.17	477130.64	899722.96
Betamethasone	8657.05	8201.61	9092.96	7562.69	10216.22	6031.27	5765.49	2881.97	5707.4	6394.97	5213.32	4899.84	3933.39	2174.84	3379.34	2768.62	4558.69	4436.96	3679.35	9116.61	5849.69	4934.09	6735.77	3667.49	4858.13
Coriolic acid	14110.03	10586.97	13532.6	22712.26	10414.19	23602.73	10362.83	8211.23	15517.12	21239.75	14540.56	10430.3	7477.3	7346.35	10047.51	7671.0	5504.33	12988.97	5973.61	12158.25	9943.36	10388.66	14675.45	10770.24	9208.96
Silodosin	4078.18	7656.71	5821.95	5282.55	4240.25	3352.92	4050.65	3082.49	8142.27	4925.62	4038.13	4829.68	1140.19	3630.97	2757.17	5014.49	4206.06	4378.39	3134.04	3065.97	3410.42	1740.42	2231.93	3307.5	1491.29
Misoprostol	1278.09	13735.53	14467.56	12452.78	11091.75	25750.83	12381.05	51417.48	17445.21	25800.38	11858.66	15664.4	23215.84	24646.63	20400.31	34336.93	32428.94	19374.75	24396.09	19057.97	97364.25	26102.06	11683.07	15774.24	16611.75
Demethoxycurcumin	7582.86	7198.42	4955.87	8555.11	7109.82	10114.2	16207.69	15305.69	8052.36	20654.23	12269.77	9266.34	11004.81	11070.31	12976.73	9194.52	9334.54	10066.46	13883.04	16196.74	4743.24	9936.28	11234.63	14336.43	10977.86
Sulfapyridine	125700.67	113929.82	109440.1	114398.18	120974.42	97477.41	100609.74	122928.73	121926.67	107463.69	99528.55	100489.39	86618.61	109345.33	110433.69	108530.2	102136.71	118467.27	119858.03	123682.95	113959.81	129215.79	94061.94	102587.94	154449.65
Rhein	168997.65	220061.66	211973.86	237668.14	244734.67	163582.69	296991.04	181363.65	191627.86	227177.32	308972.97	240544.01	212944.8	205945.41	234202.15	233768.41	200981.18	264388.92	230403.97	174947.86	140283.75	149550.25	132600.05	180897.62	207139.78
Phenyl dihydrogen phosphate	48163.11	52408.72	57819.65	53872.08	52195.26	42138.43	49326.83	42556.19	37082.33	34369.11	44374.12	52190.09	42560.57	44131.03	47926.04	40321.68	41510.51	45150.96	45800.22	34505.85	39142.36	41018.61	58154.38	37221.69	30785.64
Dihydroferulic acid	18937.42	14913.08	14531.5	14879.36	17452.73	24724.62	24099.8	17836.34	20276.38	22970.67	23420.81	18312.01	16282.09	17245.69	15582.14	15424.76	17854.97	22968.58	15613.34	23354.33	17030.44	21181.8	21152.8	21662.08	17492.23
Prostaglandin D1	368492.75	374917.37	340533.19	311690.46	335662.22	270211.95	306338.5	290367.35	304010.8	311482.43	215863.09	248642.26	225681.63	222811.89	198335.74	269286.7	232662.58	256931.79	221641.54	390728.16	322992.65	274794.43	312920.74	246954.72	172742.6
Bifonazole	617.78	447.11	1319.34	1148.65	1300.88	1107.37	1677.75	1918.92	1372.99	1225.61	2448.64	2163.29	2031.98	2913.5	2447.26	3121.94	3109.65	1913.96	3790.86	2939.62	3419.21	2799.51	2368.19	3143.96	3602.75
Dimethylmalonic acid	20306.25	19060.99	17786.91	12683.5	18508.59	20405.58	21422.26	36974.58	21077.12	35182.98	23028.45	22271.02	29239.42	20213.5	22603.37	23020.48	17692.3	24829.65	30738.01	23365.24	12438.33	23192.76	28543.82	24399.37	31057.24
Cys-Tyr	48950.18	52504.39	55881.91	47459.79	50145.65	54689.18	55954.1	52042.37	49165.08	49380.69	50761.16	49924.59	51791.07	54692.83	52860.97	59390.15	55353.03	57824.02	49890.31	49305.81	51165.46	49556.51	50306.38	50454.99	49675.36
Capecitabine	6230.41	4518.19	3118.43	7630.1	2251.97	9736.59	5844.75	7809.17	8702.09	10548.84	7087.4	6664.46	4542.77	5033.27	2717.7	4962.18	4697.39	1324.83	5396.64	7265.38	3246.74	5083.09	9439.48	7460.91	4243.73
Glu-Val	98352.33	120313.0	105218.34	106121.68	114677.2	99879.43	116364.68	114983.12	123133.46	105867.71	97305.48	105120.33	111572.9	106831.58	123808.49	113995.38	119392.55	128918.58	138785.1	102745.53	102171.06	109801.02	77353.43	114832.96	161046.0
Lopinavir	93894.37	43508.7	97811.48	87737.85	104840.26	67146.18	76768.17	80727.54	70306.16	68664.9	61721.64	68493.94	61027.79	54258.34	55137.87	40403.91	44573.88	57844.3	51156.92	53498.02	52708.0	67297.75	47337.26	34257.26	47855.8
Milrinone	7286.17	11145.33	24152.39	8466.74	7307.7	31035.63	40235.16	38232.16	18455.85	48827.37	31383.14	8657.56	552.01	123678.21	22710.3	136503.34	108338.03	58669.51	27419.75	19275.53	44261.24	3811.11	8253.39	87426.72	3541.76
FFA(11:0)	2113.41	1502.59	1462.69	3458.43	1865.14	3287.09	3559.36	2133.0	3169.27	1732.49	3048.54	1479.74	2981.75	3489.61	3117.75	3383.8	1341.52	2532.36	2284.62	2357.54	1563.67	1430.45	1051.63	1956.14	1238.94
N-Acetyl-L-phenylalanine	21709.15	13446.05	13931.78	9664.59	10714.29	8298.38	7878.15	4209.83	8179.45	9217.2	8101.66	6863.49	8221.28	8940.5	9849.14	10913.94	10566.15	7955.08	7128.39	4273.52	9945.77	10131.77	4928.89	9221.76	11329.22
Nateglinide	17236.69	32137.28	24727.58	18234.55	19324.96	37551.84	34757.04	36346.83	37032.08	27803.68	20561.23	18558.04	11507.61	15525.37	24656.2	23397.06	24637.75	34114.97	30507.22	27988.35	24603.58	18771.28	17701.02	22318.46	16517.02
3-(Methylthio)propionic acid	5669.8	7901.38	5058.1	7332.85	7642.61	10293.51	4602.85	7849.79	10860.87	12258.92	11916.64	6486.86	3321.28	2260.52	2534.22	3489.67	3611.75	3275.72	3003.49	6120.47	2298.25	3416.82	3680.98	7863.6	2388.73
Sulfisoxazole	220823.28	200848.06	184485.57	201935.38	217280.48	186126.88	176355.06	204184.29	222162.63	193057.75	176245.41	173158.74	165325.62	185950.15	212089.33	185040.46	177473.27	176687.08	201811.97	199797.02	181039.34	219557.8	164521.68	181122.35	268314.25
Tropisetron	6276.22	8206.42	6083.28	10340.81	4814.75	7679.97	5606.19	8430.37	13179.37	15099.16	9548.52	6266.11	4554.85	6050.85	5111.24	7460.27	4904.92	8064.98	6617.85	14583.66	7635.31	11095.56	10205.47	11388.4	5174.39
10-Hydroxy-2-decenoic acid	449766.93	435396.41	447598.19	437160.01	437122.26	426104.91	671027.65	439556.22	438039.54	430878.32	390528.89	426471.62	441153.62	456630.23	448236.0	441554.7	440364.25	689918.52	445448.8	447704.06	449653.58	447536.92	447911.88	442784.82	447225.88
Pyridoxine phosphate	481468.52	261064.01	257210.79	358514.48	296415.98	208243.98	242587.37	147455.73	265883.06	213737.4	239580.1	452358.81	186942.41	80686.0	206342.41	84652.8	105266.71	243771.41	394783.57	296980.08	241184.42	387323.89	373298.24	124482.06	227024.45
(+)-Gallocatechin	28675.69	36630.02	30488.18	33840.93	34081.18	31610.43	42469.58	39313.75	30698.26	25583.4	59900.31	58940.32	108768.36	69992.57	70883.93	56267.89	90449.52	56767.14	55480.19	28267.23	34892.91	57028.64	31667.56	76791.6	108654.52
Domperidone	15171.86	17521.53	16704.62	16782.27	19589.04	17894.79	15318.17	15637.87	14185.06	18281.87	14642.92	14181.29	14262.11	14443.67	17082.91	12417.37	16902.39	15227.83	16944.53	13993.15	13921.96	15119.57	16642.79	12971.82	14569.08
Ethionamide	3069.37	3587.48	2926.16	3784.13	3204.24	3732.62	5274.55	3602.64	4540.07	5227.89	4147.92	3734.04	3672.28	3926.03	3328.95	3328.53	3365.26	5313.79	3854.91	3330.63	1960.48	4246.37	4135.57	3827.04	3404.59
5-Methyluridine	1843752.37	1644817.3	1630876.06	1718920.66	1860220.31	2190919.92	1922478.62	1934719.06	1962978.01	1950025.96	1801563.14	2041817.87	2114877.09	1854073.77	2216827.08	2382819.93	1883174.37	1556875.89	1457908.17	1903907.52	1331502.08	1952641.54	1730607.54	1924232.72	2506206.83
Verbasoside	2749.5	3321.08	15698.06	5348.34	10874.64	21870.94	29867.97	26264.69	11063.53	32604.95	23336.4	6038.99	9962.83	100385.19	12937.26	111291.44	93280.7	53577.95	19737.61	14130.87	31374.06	6291.22	4600.0	65893.13	1019.25
Entecavir	92608.62	108091.53	137084.95	98828.06	141551.2	105396.96	62224.48	109535.99	45059.85	109120.85	87274.54	117381.89	135162.31	138808.51	143254.32	123631.47	146085.96	124051.6	117176.13	101648.7	112953.84	158519.06	101390.05	183829.3	136621.89
Hesperetin	1957.0	2234.91	1340.95	2519.46	2664.87	4267.9	2205.39	2757.58	4070.74	4541.71	4624.74	1675.44	1584.73	1144.83	1800.16	1377.65	2167.09	1561.29	1684.84	2884.88	1254.12	2183.12	2072.74	3226.44	2403.71
Azukisaponin I	27278.85	26765.04	26960.5	24509.24	26229.0	26656.43	45462.39	27168.7	25088.42	26580.53	20988.94	16891.87	20577.99	21159.31	23751.18	25164.5	24192.58	51087.23	28671.24	26941.88	28294.84	29847.81	26478.05	27833.09	28379.8
N-(3-Hydroxypropyl)phthalimide	985.42	3762.81	7733.9	12001.7	6616.69	3668.67	3822.96	2600.9	6634.91	2630.64	5524.72	5363.35	3704.69	6340.59	3568.42	3697.37	3857.54	2648.89	3609.73	1646.59	5900.06	655.24	4867.07	4562.77	3178.73
Harmine	11976.39	10162.87	11847.47	11145.89	15918.17	16596.61	10641.62	12997.64	13017.97	18406.45	15991.94	12269.29	11933.07	11949.47	13334.61	5202.01	26486.03	16016.89	12925.27	19811.63	18154.6	14287.39	14589.3	17332.74	21541.85
Dodecyl glucopyranoside	1710.97	1057.62	808.8	1138.1	1629.28	1890.79	7575.32	18935.87	6343.91	8669.94	4025.66	3023.65	1400.98	12012.63	6546.28	19055.75	11543.54	7927.98	2185.43	3259.69	2527.69	1436.39	31431.87	18782.11	2272.48
Methyl salinomycin	12621.84	11248.41	11061.98	16794.2	9355.12	19643.13	19757.41	19305.49	19959.37	22703.23	9241.94	18601.66	17749.48	10671.26	8345.64	8117.55	7456.17	4795.06	783.05	13914.9	2666.98	12004.9	12110.95	1529.98	2866.81
"5,6-Dimethylbenzimidazole"	11352.89	13182.34	15312.57	15109.97	13556.7	20289.31	18232.06	19084.18	17087.7	28799.71	20715.88	10357.41	8894.56	30743.18	13169.89	44289.5	28271.33	19455.56	11286.04	14586.76	16012.25	8296.39	22437.95	28029.43	9306.68
Clofarabine	4736.21	4325.73	4039.91	3649.41	4068.82	2941.21	859.23	2841.12	2858.01	3193.83	5149.79	3052.29	5456.63	4541.79	8499.38	5270.51	5334.44	4605.6	7161.38	2407.03	2995.96	5931.81	2460.83	6491.12	15853.37
Hydrocortisone	6402.37	5533.12	2504.03	2676.71	4248.86	13485.18	3590.94	2146.74	5047.15	7282.66	9407.9	3533.52	3373.46	3406.0	3680.46	2658.11	3707.5	3461.66	3794.19	5349.15	2793.67	2171.85	4993.87	3985.5	3847.29
Tizanidine	37537.89	33958.98	49684.23	72615.42	43054.59	27735.57	17424.15	12805.01	32201.08	31147.23	33954.78	50962.92	35444.85	17834.23	49817.45	2684.76	8457.12	5361.64	22445.2	84631.3	55162.37	101223.29	98052.53	23209.23	23683.82
2'-Deoxyadenosine-5'-monophosphate	6733.28	8530.07	7499.7	8271.24	6339.11	13107.85	5644.66	14671.15	8623.38	11304.4	16355.86	16101.21	11603.27	18608.47	15248.62	17418.77	22474.22	13478.07	13058.19	13938.03	13614.28	11854.28	8729.13	29186.48	20317.17
3-Nitrotyrosine	32351.18	25742.13	25243.99	24843.59	25514.15	38456.06	35944.52	30321.49	29620.01	34898.65	34531.23	27529.61	25123.68	24894.27	25540.39	24085.12	24532.26	33020.63	24130.83	33847.44	24455.57	23840.8	31260.03	27772.87	22164.16
Ornidazole	4593.55	4451.86	5219.16	5272.06	5498.89	5786.75	5234.72	5817.72	5030.35	7013.83	4533.92	3977.44	2322.29	7898.56	5427.68	7257.2	7514.12	7319.34	6209.65	5484.93	3311.07	4216.77	6571.9	6374.18	3502.23
Luteolin	24737.01	21433.96	16819.2	22548.1	20582.33	24981.4	59457.34	27139.44	28610.3	28744.64	29248.09	76302.29	22616.99	21889.66	22411.6	23009.93	23925.46	54366.87	35900.35	25785.11	17206.13	18741.65	20516.8	14202.42	19135.74
Fenamidone	1429.56	1888.47	983.37	1356.22	1458.08	4919.72	2942.12	2663.39	1958.03	3080.44	1331.54	1142.3	2067.91	3425.88	3196.97	2418.38	3228.39	3732.02	2399.75	2738.81	1421.39	1296.38	1357.1	1317.81	2821.53
14(15)-Eet-SI	4025.4	6359.33	3025.67	8562.72	3226.55	4492.34	5453.93	5988.18	10057.46	6247.26	9780.09	6761.13	5471.32	7486.53	5074.23	8177.04	6548.93	8496.94	6853.01	8087.03	7982.98	8756.47	9786.47	3519.6	5170.12
3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]tetradecanamide	26074.19	16393.05	4438.61	18244.12	19269.03	19424.05	17685.96	59994.11	30936.39	28175.62	56954.49	28865.39	10681.78	13857.6	11882.32	21743.42	37519.18	23980.49	29682.81	44788.67	11992.16	38132.52	103171.32	26819.56	18407.49
"D-Ribulose 1,5-bisphosphate"	201422.18	245062.89	93298.62	90942.7	134366.6	274341.35	222765.8	277740.05	225975.21	217083.99	163473.47	174065.62	214524.98	156748.4	63128.47	123059.62	268664.89	342195.6	158783.65	206599.83	183287.71	63343.13	75482.68	117042.63	63337.45
Dinoterb	5299.61	4520.34	4116.85	7089.29	4261.95	5819.94	12026.13	8588.92	6710.26	7529.4	1641.11	2318.09	5704.3	3988.09	3207.35	4976.26	1681.98	7811.24	3908.49	6445.64	5460.41	7404.45	3163.39	4853.73	6888.45
Uridine-5'-diphosphate-glucose	324513.92	294295.01	376572.97	449602.0	411292.91	339649.19	48028.55	248380.97	349832.64	400095.46	666829.98	625923.05	707699.77	677018.05	674741.49	669122.93	493019.81	575720.94	415513.99	203409.75	365100.69	436225.58	487025.23	478711.83	525652.91
trans-4-Methylene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid	12067.24	12118.21	9846.47	14042.91	10821.63	14060.33	17207.93	18486.28	19161.85	22145.86	22373.97	16935.44	18468.21	11722.37	13376.25	14262.18	20710.44	21489.94	13402.43	12329.15	11694.54	19714.51	12319.74	14727.85	9098.25
Fenamiphos	53392.09	40559.75	48657.83	46504.92	46344.45	20206.61	47554.77	55167.55	47594.09	49998.86	58121.13	58689.89	56240.9	61370.76	59652.71	59560.05	60002.24	59920.75	58223.45	63298.74	61906.68	63156.16	46772.91	57862.44	60248.12
Hydroxyprogesterone	1729.95	1664.22	2302.72	1266.11	1663.97	996.47	3887.32	1734.4	1185.96	708.59	1275.6	907.71	1706.79	3747.59	3881.93	2016.39	2378.66	3662.18	2623.65	2373.41	1425.1	1372.08	1707.52	289.66	1061.92
10-Propoxydecanoic acid	3168.21	941.6	1857.98	2789.9	568.77	5596.27	7390.16	3176.75	3648.28	3866.94	4145.43	2321.9	2436.92	2489.22	4838.16	3720.29	2937.61	3045.38	2863.77	2611.76	2144.52	2598.05	2590.44	4508.28	2580.37
Uridine-diphosphate-N-acetylglucosamine	405700.23	398219.73	464653.08	517469.52	494142.64	483920.28	432278.12	444366.04	445765.72	535938.54	783137.91	759270.76	968154.05	936510.95	659714.85	723815.02	958474.71	838764.07	651542.8	458085.68	661147.51	651479.6	661535.03	842726.76	817761.61
N-(1-Allyl-3-pyrrolidinyl)propionanilide oxalate (1:1)	1207.71	875.27	1950.05	1966.94	1227.74	1575.91	2901.34	1372.12	4027.85	5332.4	2569.88	2304.59	2666.57	1263.73	3213.36	1672.26	1591.44	3592.3	1320.33	7558.76	1005.32	5846.66	4699.1	1237.35	1634.75
D-Glycero-D-gulo-heptose	10947.72	9471.0	9871.96	15171.59	9326.64	8171.92	14223.16	14164.76	10020.36	11234.23	10222.33	11402.97	11449.4	9782.06	10580.89	11421.3	10449.1	12048.28	9626.0	4461.35	10996.61	8638.84	10089.22	8786.24	9837.03
Datiscetin	9885.87	9774.73	5441.17	11601.68	9109.83	10855.57	17005.14	12002.56	11503.86	12076.46	11829.11	12295.83	6674.97	10338.46	19392.26	10253.35	10128.32	14511.65	10690.75	10261.0	10106.09	9685.29	3532.16	10875.28	10515.18
Threonic acid	250864.52	235298.3	271715.39	276043.88	283987.65	266178.93	212660.14	261256.22	224172.33	244294.07	304811.57	264955.35	230785.74	255095.08	212617.99	227716.82	186533.34	193602.66	233138.59	231679.3	202892.61	201996.55	205809.01	199594.75	182337.38
2-deoxy-5-O-phosphono-D-erythro-pentose	297666.02	396811.3	559710.9	241518.64	537872.99	202065.04	134859.26	226638.62	246235.33	325569.21	140273.12	325238.12	455810.4	324864.79	399126.25	443369.21	468282.04	331391.29	240839.47	187689.08	341777.23	558165.86	355874.12	585277.07	511355.01
Prostaglandin E2 Ethanolamide	3060.02	1011.66	2960.47	2724.91	2607.59	4604.65	2388.04	2542.93	2674.57	5025.56	5042.33	2121.21	1039.88	1374.67	1889.38	3155.52	1092.37	2060.41	1433.49	3505.79	1868.79	2592.05	2717.32	3796.56	2200.52
Paptga	6212.05	6433.66	11059.37	5866.38	11025.06	14755.98	17557.29	19090.4	12384.87	28481.22	14612.57	2905.85	5648.45	37843.9	10246.53	34022.41	31876.4	30909.28	14151.78	14287.46	18990.66	8936.81	5767.06	40060.81	4084.72
beta-Glycerophosphoric acid	7081.25	6265.3	8667.64	9560.55	5490.45	2822.02	629.15	4131.62	4319.89	5944.58	9665.31	11277.03	8131.01	10544.94	2256.38	3002.13	12427.27	1697.36	3987.54	4241.15	4634.27	4418.57	4556.17	1232.66	1070.87
Ferulic acid	1181.04	618.92	1566.66	1476.66	1428.74	2112.81	683.12	1551.57	1802.66	897.96	1097.77	999.69	1525.04	987.58	1023.41	1516.35	1048.68	996.55	1247.18	1442.3	642.34	660.6	854.16	1003.11	1134.13
Oxiglutatione	114788.67	109933.85	96808.19	55988.16	85421.22	26267.89	98103.62	137857.44	109913.97	89572.05	254668.65	214874.92	299923.93	246673.03	239073.64	183572.48	305723.08	190019.2	172335.05	132389.25	74386.38	214179.13	68352.96	282577.91	373792.27
Tetrahydropapaveroline	4099.44	5268.59	4192.67	5891.17	5585.42	4976.39	8002.83	6073.8	7199.11	6468.6	4821.25	7737.98	7776.26	5376.57	6172.66	6141.23	5830.47	7651.89	7117.62	6469.51	4716.25	7028.25	4123.19	5233.99	6154.22
(4-Hydroxy-3-methoxyphenyl)ethanol	2693.15	3963.03	3522.66	4965.13	5923.72	7011.59	4950.04	10898.55	6747.71	10043.0	11849.92	3427.9	4651.47	9499.13	6502.79	12293.7	10476.39	5362.93	5952.52	8123.09	8339.1	4194.29	10209.34	7681.88	2965.41
cytidine monophosphate N-acetylneuraminic acid	156283.69	189254.54	161346.19	173354.45	186968.54	211994.17	132779.15	171871.26	172440.92	166357.94	242072.8	236470.85	291940.81	263326.47	255037.01	214903.24	295134.49	206031.79	221260.31	197225.92	187747.18	259758.06	190737.35	275871.36	352653.25
N-omega-Propyl-L-arginine	34692.16	41171.05	35259.66	32381.02	33936.8	50597.61	48039.6	51693.97	49779.27	45782.4	39223.46	32393.42	25166.95	26643.62	39120.58	37736.36	59714.54	40430.95	40725.07	46154.12	38658.7	29308.28	47345.8	34262.31	26861.56
Fumagillol	152681.74	164964.43	127955.02	174500.05	155411.04	173582.47	178502.55	211264.19	216639.14	246130.59	171032.48	151364.11	126824.41	132982.5	169342.83	156567.33	179238.34	168879.73	176197.76	206030.7	122994.81	216976.24	200196.95	189025.43	139765.7
(+)-7-iso-Jasmonic acid	15486.77	18582.7	20022.46	18798.45	20506.1	17037.81	17467.24	18484.25	17631.68	19366.22	20089.47	18451.04	19308.78	20260.14	18758.5	15749.81	20884.75	18943.94	18212.09	18645.82	17703.33	16100.21	18884.42	18745.31	15882.78
Dioxybenzone	120633.34	101153.12	97524.66	107292.3	108387.48	118856.65	171898.29	94975.75	94479.56	88273.26	108317.59	158301.08	113841.72	90889.68	105179.2	124127.74	77472.75	112139.57	137599.79	124325.57	103559.32	78520.9	73659.46	83183.03	81069.46
3-Isopropylcatechol	39900.23	34804.89	37459.06	40214.85	43159.72	78380.95	25836.28	33250.29	40784.03	83448.0	64579.33	44163.99	26212.21	25200.58	27777.51	32284.03	30246.88	28463.57	32676.84	49273.87	24153.83	38873.06	66125.15	41594.93	23648.51
Ethyl palmitoleate	2855.94	10631.64	9284.93	4638.48	7629.73	4364.37	2685.72	4644.24	3119.41	3757.13	30631.65	29513.46	7403.56	11552.93	3007.65	2596.72	1327.92	2183.31	1136.36	6585.31	893.87	668.0	6461.74	2056.33	1846.4
Olmesartan medoxomil	399.91	271.84	723.95	421.38	1782.17	488.94	1803.77	1615.55	1555.7	1688.35	3365.56	3177.73	2048.26	2356.79	2585.08	1867.91	3210.85	3497.16	2976.58	3439.38	3165.96	3915.71	1852.45	2956.94	3770.39
"2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine"	5203.06	5794.75	6137.41	5825.6	6398.8	9487.23	7363.4	6789.01	7399.39	8867.51	8030.47	5727.32	5384.97	5396.91	5711.95	7098.57	7737.02	8178.62	5826.76	8943.41	5168.07	6673.56	9338.18	7327.71	6650.87
Acetylvalerenolic acid	45338.43	40986.61	38444.73	49861.26	49498.48	46208.74	54011.22	53036.03	56541.01	71080.96	47009.71	48128.46	35920.16	35843.66	53770.83	49777.29	56855.36	47051.6	46400.51	64688.05	32634.63	66465.49	63272.8	54146.65	44101.56
Biotin sulfone	10836.77	9074.27	8603.56	9923.4	7660.38	11942.49	10862.75	9955.09	9394.01	14863.26	12711.96	8221.88	6331.83	7610.55	7948.97	8513.13	9268.29	9485.24	7415.85	10789.46	7619.46	8398.19	10285.85	8610.69	9064.8
Fludioxonil	34220.39	27848.21	29127.58	31985.03	30732.65	29851.4	40802.67	37657.42	32000.72	34351.83	37023.12	37648.57	35090.6	36548.38	36666.08	34547.73	38529.82	43294.64	35549.57	32640.77	32593.98	40292.8	30074.04	37762.64	36195.47
7-oxo-11-Dodecenoic acid	74815.42	57235.94	76825.83	68449.34	69021.03	68957.01	117253.64	67200.46	82742.0	78833.82	81002.45	66345.55	74559.07	88380.25	74575.22	63076.88	92117.48	106631.8	72131.85	73088.34	70641.38	83770.4	70204.66	91038.11	70164.56
Imidocarb	99850.9	130473.51	32373.83	187608.79	130585.76	183521.66	129482.04	59574.09	212214.03	168203.2	217330.87	147017.09	136504.98	123355.8	124117.87	140544.06	143693.9	135413.84	122569.73	232104.31	151295.34	172426.91	174388.65	105766.25	133329.16
Ethirimol	127666.58	123773.37	125456.87	123011.85	130924.13	121556.02	124749.05	135013.62	128653.11	133977.77	112106.25	140061.9	134922.69	135379.96	142362.16	145467.06	142680.12	143647.44	150328.89	144738.19	143652.03	150823.29	145262.64	151488.9	151745.69
(E)-11-methyldodec-2-enoic acid	5086.51	3993.41	2753.39	4467.67	4420.76	3062.25	7124.6	9043.17	9498.22	11863.17	10677.56	4981.38	4187.21	4833.96	7521.23	5799.44	8006.67	7742.02	6269.97	10945.19	5036.14	7526.07	7680.84	8048.04	5399.85
3-O-Feruloylquinic acid	14840.83	12148.0	11987.04	15102.35	7779.68	13924.18	20364.99	13825.47	20315.09	18303.5	11990.82	20984.58	20974.88	13729.06	18836.93	18680.37	12501.31	16006.66	16426.59	19064.89	17165.01	10729.68	16829.67	16307.44	8618.25
4-Chloro-4'-hydroxybiphenyl	16778.22	16060.13	9619.8	16010.9	20275.51	14651.03	9729.07	17909.78	14868.68	5556.72	9774.88	6220.94	10370.8	22963.65	20872.18	13385.45	28371.91	11703.24	27287.59	29772.64	12341.17	13430.51	14221.16	25500.36	25068.58
5-Amino-2-(p-toluidino)benzenesulphonic acid	5083.45	4002.08	4236.23	5211.7	4924.07	8732.72	7845.8	6130.26	6641.29	6489.74	9474.04	6735.73	5824.44	7551.66	4491.02	5609.09	5037.79	7545.57	5570.79	7593.5	5074.59	6151.38	8310.45	6952.38	5845.89
"7-Chlorothieno[2,3-c]pyridine"	26586.39	24879.82	25859.76	23352.03	23706.6	21634.77	40975.64	24584.06	23537.11	22626.07	19455.03	24466.44	25657.79	23411.1	25476.2	25932.92	24509.85	46748.56	24993.17	26836.44	27564.76	26254.66	28837.52	29539.02	25152.68
"6a,7,8,10a-Tetrahydro-1-hydroxy-6,6-dimethyl-3-(pentyl-5,5,5-D3)-6H-dibenzo(b,D)pyran-9-carboxylic acid, (6aR,10aR)-"	12055.72	7009.78	15428.45	10056.36	12930.57	23493.79	17853.12	47481.61	14513.82	15382.38	29949.82	15632.41	8078.39	25966.24	11678.35	10004.02	7081.27	13141.38	609.86	12088.75	24773.76	15818.74	6800.11	8450.81	11854.71
Sulfachlorpyridazine	21413.53	14605.65	660.96	2817.49	937.59	74289.5	30947.33	11791.91	65945.91	60739.63	11086.27	5646.49	58211.15	31271.72	28874.47	23917.15	63556.33	67600.98	43421.87	81231.51	20202.32	13767.76	5479.78	64509.12	70668.77
Shikimic Acid	6010.43	6285.2	5984.26	7466.21	6136.01	12315.64	4235.61	4628.04	9382.09	12324.44	11912.53	5187.14	5222.86	3868.6	4886.96	4609.17	4871.11	1759.94	3125.04	8455.55	5807.82	5379.99	7591.46	8309.05	4092.78
Dinoseb	100837.8	96583.48	85969.23	105061.68	95309.4	126211.98	97763.06	99154.41	114445.11	127940.2	129159.24	95135.4	89830.88	80335.38	78441.15	86181.09	94907.64	93545.73	83261.78	115856.84	82828.93	86108.5	127019.76	107763.66	85779.56
Brazilin	23191.26	20789.31	21145.93	21150.11	19899.1	19718.2	17329.61	19610.4	21084.9	10979.41	20642.19	20131.02	20288.22	20399.42	21702.54	20843.73	22285.31	20735.67	23288.62	17807.38	21437.57	24830.6	18556.02	17793.56	26599.43
3-tert-Butyl-4-hydroxyanisole	407284.46	386916.57	387949.25	379851.55	411434.38	393866.61	415219.33	361196.28	408855.56	529737.11	419199.59	365249.76	352041.79	323608.58	421338.8	371819.45	432630.45	653093.01	360632.78	437146.98	395985.15	444585.67	417785.37	460402.25	357523.66
Pyrrolidino PAF C-16	4035.03	3390.38	4440.53	3490.47	3319.06	2260.28	3947.55	3150.42	3317.47	3011.02	1478.46	3200.56	569.26	799.93	1506.33	1054.85	1866.52	2077.31	2209.3	630.63	391.25	3440.35	2375.5	1902.32	678.09
Caffeic acid 3-glucoside	10369.85	10172.75	12140.91	7822.2	8533.51	13975.37	13032.29	18602.56	17491.6	11815.87	9405.58	3260.9	4423.24	10877.53	6754.66	23953.4	8023.35	8029.55	941.67	12177.82	11111.63	4057.74	9531.86	8727.09	4738.3
CAY-10583	2821.05	3329.83	3920.92	3345.6	4745.98	7452.82	7914.36	8771.57	5802.94	8190.49	9127.36	2750.29	370.92	57901.19	5501.42	99579.06	33060.77	15216.42	6832.82	3489.53	8044.46	2370.26	3451.93	57238.43	2165.92
Glucoerucin	40814.38	33109.61	35888.08	43230.03	37740.81	52625.69	42067.78	64489.95	52318.2	52087.45	46925.42	48499.34	41839.15	40155.51	46619.31	45800.5	47034.65	47404.45	37370.4	43787.51	18587.88	37448.34	12884.29	43748.7	35793.54
1-((S)-2-aminopropyl)-1H-indazol-6-ol	281522.76	177027.43	24458.18	236897.64	46496.61	281320.87	155259.41	487958.32	356411.28	384458.04	403712.64	333737.75	299065.61	245534.06	331251.99	290582.99	344260.6	353881.93	294566.09	401959.69	243024.48	301284.92	324492.44	312723.96	307330.84
"(2R,3R,4S,5R)-3,4,5,6-Tetrahydroxy-2-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)hexanal"	4501.53	2583.8	4141.28	4782.75	4420.44	3816.17	2637.8	1975.4	2965.46	527.58	2230.71	3716.41	2127.57	1402.21	3921.7	2771.62	1374.78	623.47	1491.89	2466.97	2850.74	802.08	3648.8	1013.74	2713.64
"3,3'-Diamino-4,4'-dihydroxydiphenyl Sulfone"	1901.5	1129.49	476.01	885.67	1046.16	2745.6	1524.7	1903.29	2391.91	1192.38	2537.67	1533.08	1018.59	811.15	1006.92	913.28	1370.39	926.15	1005.43	2655.04	1390.77	827.53	1379.5	1968.34	1852.12
Kirenol	2467.18	1858.59	7238.33	2700.62	5032.99	2485.85	4711.98	7825.12	5022.14	5084.42	8401.12	5867.32	5105.25	9332.17	6537.57	6282.03	7521.27	7010.48	4546.35	7945.4	13296.26	7135.2	3158.26	7552.53	9369.89
4'-Hydroxywarfarin	2054.13	2313.08	927.09	1427.42	1926.74	2443.19	1199.14	801.49	2401.34	3233.83	2095.42	1025.74	1061.83	589.14	1267.81	538.0	885.78	689.37	1104.55	903.48	605.66	747.1	2018.53	1334.32	1534.65
[(3S)-3-Amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]phosphonic acid	37259.1	34587.05	30652.84	44070.79	39296.73	53474.05	33153.23	41385.06	49586.84	73676.83	43683.86	30250.7	27188.85	26719.18	30752.19	21773.53	20180.29	15979.65	20343.13	53325.36	26757.22	39878.85	29402.66	35820.49	29103.03
"12-Oxo-2,3-dinor-10,15-phytodienoic acid"	2226.32	1620.54	741.27	1362.09	1395.87	2493.76	1852.54	2443.31	2316.48	4119.09	2068.58	550.14	1032.88	1033.08	1560.06	1189.15	1365.36	1616.99	1116.96	2602.7	1963.01	2516.13	2142.39	1535.65	1576.29
"5-Quinoxalin-6-ylmethylene-thiazolidine-2,4-dione"	45676.46	54883.18	54621.29	57122.21	51156.04	56090.08	2206.04	78891.42	60558.37	56017.33	95165.49	86337.81	72748.88	89180.42	80574.05	92797.88	80644.45	55706.52	81320.48	82716.13	80364.3	85171.52	71957.78	74500.94	89367.12
Cyproterone	6160.57	5030.69	4333.78	6832.96	6403.54	6201.27	6428.34	6936.42	7711.19	9205.87	5418.47	6030.11	4842.84	3611.97	7298.57	5912.32	7436.88	8899.18	7039.64	9195.96	5718.33	9530.79	7769.2	7903.87	6642.82
Populin	2056.92	4575.96	6547.56	2898.72	4244.69	8565.74	12365.46	10211.33	4947.39	12758.6	9196.77	3382.0	952.77	51567.12	6575.95	77707.98	39416.46	17715.73	6806.58	5257.11	14611.64	1892.3	3219.16	46115.88	495.74
2-Amino-5-nitrobenzoic acid	8491.81	6693.35	15049.62	10714.35	7901.19	8745.34	10665.14	15828.73	8111.14	6939.93	5842.53	13756.95	10703.1	5674.67	10401.89	4660.72	11050.3	8660.22	9299.66	7332.84	1289.52	8126.94	10616.21	6247.26	7880.32
Linoleic Acid-d4	197901.49	181434.52	133597.24	188259.72	112563.46	110293.48	158499.24	118244.53	96032.49	124427.67	99987.44	191142.92	174873.35	148035.37	199671.74	167198.65	172256.57	138011.07	205439.91	202649.8	199387.99	242455.71	199723.35	118097.1	98827.01
S-(2-boronoethyl)-L-cysteine	6327424.5	7341646.91	7146111.14	6845908.83	6522527.22	7330582.18	6831248.95	8559435.64	7664741.99	7209132.8	10557229.46	9442784.38	7269510.87	8683294.31	7361367.83	8240679.25	7931561.73	8157261.05	7995381.67	8768653.35	7373875.52	7681936.53	8062760.65	8443532.3	8119993.61
Palmitoylethanolamide	22414.5	20626.43	10863.45	17479.99	18931.33	12377.77	14399.85	14123.98	9363.55	12029.58	8919.53	11105.1	18340.62	22174.66	25084.37	22996.07	22949.39	20853.5	25072.81	18437.6	22191.68	30832.91	20297.92	21657.38	19698.14
3-Acetyl-11-keto-beta-boswellic acid	108241.68	109460.89	107831.68	111436.48	104898.17	113725.3	175457.74	109399.54	113476.55	110492.19	117024.07	114112.66	111586.79	120902.27	117598.8	117336.34	120771.8	195339.23	115711.63	116681.85	116606.17	113774.88	114153.95	123531.17	123091.87
"3',5'-Cyclic dtmp"	6595.59	7953.4	5888.11	7141.59	8733.82	8117.59	7243.36	8622.28	8454.39	1513.45	6288.95	5735.68	6302.95	4968.15	7114.01	7312.95	7892.58	9454.93	9462.88	7054.27	7189.67	7115.03	3310.93	8255.9	11524.06
Monoacetyldapsone	8074.94	5317.32	9996.63	7419.85	10153.99	7587.13	10243.65	14952.89	14291.27	14239.84	10711.53	9639.32	5169.84	7587.1	8173.21	7586.75	8499.77	6228.03	10210.46	11066.05	3735.79	10350.24	9812.03	11722.49	4419.73
"2,3-Dihydroxynaphthalene"	14178.17	12272.71	9198.62	12003.84	12848.09	12704.16	10843.68	10054.07	13288.95	11667.87	12042.64	9198.14	6929.45	8798.3	10363.68	9785.95	8692.2	8555.39	10796.7	9381.93	8099.33	8317.63	9141.36	2390.54	12975.79
Glyoxylic acid	636033.65	691568.25	586752.66	522541.49	725649.27	578045.04	675252.01	645769.32	667661.01	571713.04	305809.51	547366.37	443592.24	591182.4	491978.51	495632.02	39198.18	553130.18	451103.65	519828.83	578905.73	722896.57	781364.3	725723.04	619411.1
(S)-2-Methyl-1-[(4-methyl-5-isoquinoline)sulfonyl]-homopiperazine	20922.16	46251.1	16104.6	27550.46	22754.33	42506.76	27447.19	42180.66	40710.11	71347.71	68592.36	39242.49	29256.5	23284.99	24452.26	29190.28	41146.11	56115.0	46866.7	47649.11	24987.06	34451.24	50995.13	35582.39	32432.61
Indol-3-yl sodium phosphate	13684.43	10213.28	10137.12	10121.17	11272.91	12403.83	8663.66	6953.43	7672.71	7040.34	9790.46	6843.17	11280.91	8808.65	11381.82	8962.18	8670.17	6027.1	8726.82	9226.49	6867.29	11122.7	8413.43	9126.28	8986.9
Betamethasone acetate	1972.38	2164.41	1430.32	2160.17	1765.53	2895.35	3064.94	2688.23	3330.09	1981.47	2745.57	1566.3	1854.02	2753.36	1620.21	2259.11	2794.76	3481.18	991.96	2190.37	1565.93	2151.91	2399.06	2702.32	1925.83
Pseudolaric acid B	1236.65	1928.44	1325.02	1887.24	1830.16	3167.56	2755.29	4148.33	2453.41	4507.99	2744.6	816.29	581.15	7271.36	1972.55	12732.94	11026.59	6009.1	2097.3	1429.88	2925.3	960.87	1104.81	7851.43	493.42
ADP-ribose	40122.76	113266.05	50384.73	68105.2	26303.27	2196.8	8374.23	10028.28	6689.1	5676.68	627.92	59506.72	6108.8	13607.74	1555.1	7536.72	7772.22	15619.71	15415.58	3266.02	13210.51	8806.73	1751.34	13069.54	5213.46
L-Alanyl-L-tryptophan	3821.17	4514.41	11667.0	2615.92	10021.7	14952.76	22084.23	14322.38	10327.57	26056.16	8151.47	1556.71	3183.68	30620.79	4970.81	51344.01	25386.66	21981.03	9740.97	9982.53	25509.05	1699.93	2724.47	27627.46	3471.95
11-Oxoursolic acid acetate	5596.43	6906.64	1927.85	2136.72	7149.67	6385.34	10244.16	7420.22	23737.12	7502.3	8656.03	7999.93	6330.81	8122.99	6916.84	8823.07	9692.85	4805.62	23785.59	9563.63	27203.18	7026.7	3080.59	7015.61	6911.67
2-benzyl-4-(octahydro-1H-isoindol-2-yl)-4-oxobutanoic acid	123349.1	118717.14	118601.85	130546.67	118506.58	131861.53	175244.65	125846.59	129263.27	127135.34	122241.06	128630.29	127560.68	128505.7	130849.16	132352.91	131098.0	188422.61	129600.73	133812.7	132524.91	136483.82	132635.75	139776.35	136642.15
6beta-Naltrexol	4507.46	8905.14	6579.58	6084.8	7155.56	11568.61	8591.49	11401.06	9284.47	9491.6	9476.44	8228.58	4726.14	10029.49	9274.75	9147.61	9445.12	8470.06	7936.05	6806.92	6720.59	8280.59	7469.74	8136.13	8804.56
3-Hydroxy-N-[(3S)-tetrahydro-2-oxo-3-furanyl]-octanamide	10508.68	10162.91	8077.54	11513.67	9967.41	22929.22	7307.33	5900.63	12723.96	15744.68	15488.73	7228.27	9768.68	6977.65	5496.3	7664.97	8916.11	7992.96	7892.42	12479.13	6503.61	7326.77	10941.97	11143.14	8127.35
MK886 sodium	1100.35	899.16	2625.17	1306.99	526.39	3983.03	5066.14	794.53	2303.79	4440.06	1330.5	574.78	568.65	19427.64	3397.47	25871.31	15407.34	8045.07	1532.87	2735.52	6110.54	1090.23	971.84	16409.96	695.44
Bovinic acid	24192.92	19386.72	19270.46	17467.34	20967.26	9989.24	14595.39	3512.11	16086.5	9838.23	11135.98	20147.16	14180.88	9947.52	17093.44	5607.41	11908.16	11710.04	13813.76	11856.85	10352.72	28303.81	15184.35	13920.89	20876.08
Prostratin	362.67	413.63	831.89	575.42	619.98	1321.67	1807.63	650.75	477.88	1547.4	904.17	331.7	591.2	13558.36	1644.42	10243.74	3968.64	1488.2	235.31	555.05	636.8	388.37	473.27	8767.6	421.0
Colforsin daropate hydrochloride	111610.41	101231.98	105409.12	109649.54	99647.89	102432.43	109367.64	113556.19	112602.41	112702.04	97083.09	126164.88	128484.24	126514.06	133489.01	140982.55	139648.68	138605.65	148051.49	140697.02	142592.7	146226.01	142767.74	133904.12	147171.24
Aldehyde Reactive Probe (trifluoroacetate salt)	955.77	693.38	768.66	1596.45	1147.92	2542.49	3046.72	3355.87	473.5	4773.41	1838.97	1969.36	2464.3	6307.37	1254.09	6622.94	4432.85	5584.24	2348.94	3191.61	3345.03	1938.65	1763.45	9481.12	2637.59
4-(Benzhydryloxy)-1-[3-(1H-tetraazol-5-YL)propyl]piperidine	11390.91	12606.58	9262.94	8823.03	9544.14	7819.56	9498.67	8941.53	8646.79	10182.21	6918.29	6016.55	5484.86	4118.56	5748.4	8821.65	8011.68	6554.49	6192.5	12443.65	11477.65	9235.99	9375.77	7126.95	4428.88
"2',5'-Dichlorobiphenyl-3-ol"	20636.36	17636.49	16627.86	18923.2	16929.03	24372.02	106604.18	22645.64	24387.99	23139.1	22810.83	24717.92	27644.38	26913.24	14645.98	26625.89	19927.14	26222.9	13003.15	12530.76	18570.99	25606.39	23661.89	25045.76	16684.36
(2-Methoxy-benzoylamino)-acetic acid	217492.43	221430.95	221255.79	218600.79	224026.06	221449.33	215895.22	249903.87	229203.78	223243.53	259920.5	272283.12	270133.32	268243.44	276448.62	290849.73	280706.76	285800.44	277994.4	294618.5	298417.14	300269.21	292876.51	296984.53	287792.34
"7,8-Dimethyl-10-(2'-acetoxyethyl)isoalloxazine"	44891.32	53889.78	47047.66	50567.5	56617.3	41831.42	29959.35	43768.01	41112.73	47869.26	41120.36	41370.24	51357.67	43836.44	40098.02	34646.22	40190.69	32115.35	6193.05	45695.1	43062.01	69406.36	37753.24	46986.47	48992.6
Famoxadone	15628.13	14576.62	15877.45	15726.39	16456.76	12653.7	13233.76	17118.39	18315.49	16052.2	19060.04	18959.72	16391.97	19420.42	16526.29	18139.71	21506.57	18896.99	21156.01	20768.53	16955.3	24399.13	16354.55	20483.54	28222.48
8-Amino-7-oxononanoic acid	570829.56	524816.71	473006.29	610581.58	475059.21	880854.61	464888.86	550033.66	653657.31	753440.26	761443.34	464839.53	447374.27	383499.18	424127.12	490913.99	496512.3	489664.29	428102.16	621181.45	390154.64	489624.38	732537.35	519547.34	429970.76
Tolterodine	9509.19	9807.25	11781.67	8045.71	7249.16	16004.92	22143.47	22430.08	15604.98	40229.8	11294.89	7601.21	6006.83	23025.51	13368.75	63105.25	28062.43	20029.42	14512.91	16339.65	15063.19	4217.05	4931.1	29531.7	3274.01
"2',5'-Dichloro-2-hydroxybiphenyl"	81453.05	84827.99	84028.27	83808.15	85528.45	86091.77	103986.29	84994.88	87721.64	91615.49	83479.7	87035.36	93555.4	96920.33	91437.33	90554.38	97707.04	114066.25	91190.21	89089.29	91618.14	92837.24	91470.51	96295.92	98962.63
Butein	35087.04	33214.3	33310.47	35197.43	31622.74	31808.17	56381.88	33399.46	34004.38	32379.63	26060.37	35659.37	37091.69	31951.46	36016.76	36167.8	35382.39	57891.25	35076.73	36979.23	34408.29	33008.26	35278.73	33854.21	32064.55
beta-D-Galp-(1->3)-D-GalpNAc	5452.38	9834.58	14356.88	8406.2	9281.96	18173.5	25196.16	18795.58	9472.3	30106.25	12937.78	5129.48	5371.22	82169.62	18066.81	135221.68	52909.46	21068.82	9207.18	10556.94	27119.16	3826.57	6833.55	69218.28	5920.13
Tetradecylphosphonic acid	47816.67	39088.72	26108.39	41664.26	32309.88	51227.53	33592.07	36929.12	52884.89	61137.1	59047.74	32460.95	28866.39	27904.37	45893.56	34679.71	33738.46	31261.38	31593.13	44584.86	25706.98	33649.43	43895.27	32255.94	30254.31
Yohimbic Acid	998.56	1849.2	1428.89	2112.1	1437.24	2663.83	1446.29	2857.62	2189.66	2473.54	3330.53	1534.95	854.59	1214.37	1290.15	1534.45	1903.44	1833.15	1496.26	1867.71	1214.91	1411.05	1618.47	1905.38	1993.53
Semaxanib	9568.97	8560.86	7764.74	10034.81	8994.0	12833.14	11623.38	9716.82	10603.02	13328.61	10166.58	10645.31	8406.23	8440.87	8624.93	11462.05	11108.9	12262.81	8209.79	15087.2	7690.06	9810.79	12816.44	4927.57	8146.32
Dichlorprop-P	12877.77	20476.76	12436.22	10942.1	7746.16	20674.48	27169.19	2402.9	8992.49	1871.43	3841.47	37470.44	2887.91	8609.15	13568.92	4929.22	698.2	2178.47	20558.68	11817.37	19932.89	11695.82	4790.95	9690.53	5471.12
Rosavin	23687.08	14307.13	14206.93	17177.87	19102.6	16893.28	20143.99	13057.0	18579.28	16872.91	8780.27	9588.56	7015.51	5329.77	9357.56	3737.46	3447.67	8177.82	7183.6	10424.95	6273.46	17326.33	9195.61	7828.2	9820.74
"3-Methyl-1-(2,4,6-trihydroxyphenyl)-1-butanone"	17005.79	17524.93	15615.03	12928.55	15332.63	13999.42	14960.77	15932.04	13180.37	14284.81	11016.0	11259.19	12744.97	12931.35	11338.87	9159.07	11939.3	14870.59	11467.61	9293.98	11050.89	10750.08	10456.96	9297.33	12345.0
2-heptylquinolin-4(1H)-one	157254.4	147537.2	164543.76	133038.76	132064.25	112035.57	136041.96	129600.68	122801.61	119850.37	140778.82	149464.99	151079.81	176222.59	166936.27	168378.28	147381.64	168933.43	180549.34	152428.01	189760.35	208911.45	174161.91	158043.2	165326.45
Kinetin riboside	812960.11	772100.95	790747.77	838705.57	653368.79	1178568.91	821223.02	1239021.88	964687.45	916925.01	905281.16	800765.94	676741.14	875891.0	839014.36	869615.13	1110626.07	897665.0	804510.07	693441.5	440122.47	636320.81	428983.25	792115.29	730831.21
"N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide"	19628.98	35268.26	37532.92	36537.42	34639.04	38089.19	45848.6	35206.27	38653.12	37357.88	38335.6	35777.17	35555.4	34155.74	39862.82	39721.72	39052.37	49679.52	39829.83	38358.07	42327.51	43089.55	37636.3	40027.08	21556.42
Maclurin	459.4	652.56	538.66	898.0	248.77	430.52	1581.87	722.85	1014.09	512.23	846.46	1295.38	661.49	1111.51	1275.89	884.01	1094.18	1810.81	1416.89	929.92	863.07	281.54	1467.88	1237.01	865.97
Lovastatin acid	13152.63	17865.33	12032.71	13682.36	13283.52	11041.64	15582.92	8542.15	10264.7	18872.01	12559.56	14561.67	12103.94	15610.02	21618.11	18545.81	23378.43	23744.88	20848.62	21178.21	16985.15	26646.22	16628.6	21041.36	15186.65
Oxazepam glucuronide	10954.27	11776.87	11826.72	7951.49	8852.57	14928.8	5722.17	11772.53	6970.95	10209.04	5981.64	10164.99	12135.38	5272.68	9801.3	7706.18	5202.1	8621.95	8033.3	12344.49	6714.1	8562.96	7900.78	5055.87	9671.88
N-Acetylserotonin	7337.27	7622.25	6451.22	9093.83	6099.68	9912.32	6278.37	7151.47	10172.72	13979.62	10731.79	5273.36	4718.12	4185.56	4500.32	5183.94	6319.62	5354.64	4497.38	9198.42	3483.78	5062.41	13459.02	5690.16	5286.77
Pyridoxamine phosphate	43035.6	48946.98	38460.62	51276.81	48232.94	50874.09	41571.09	65521.18	39899.16	59624.57	106632.69	92951.54	97654.99	147042.33	67543.12	128788.15	135017.89	93668.28	79037.57	62484.35	65410.78	77854.49	52474.23	122484.42	74686.09
Indolmycin	6512.69	11386.64	5017.97	4688.55	3741.27	19694.12	5637.82	12672.91	14729.25	17207.46	15457.99	9203.72	1018.88	2851.36	6457.38	8907.57	9433.7	8618.51	8998.2	14963.72	5748.83	8526.57	12441.54	8151.97	9444.98
Dobutamine	12835.09	10658.87	11225.7	12044.32	8407.33	18658.56	12291.57	14038.08	14621.48	19702.8	16628.92	13330.07	12263.15	10172.59	11230.91	14946.75	16380.04	14056.58	12023.46	18317.64	12230.72	16933.06	22875.43	16426.84	15128.45
D-Tryptophan	1826.01	1439.37	3471.34	4769.33	2658.49	4854.96	3743.49	3960.92	5390.86	5792.72	7192.25	1895.88	3230.11	1710.06	2274.77	2995.34	3623.53	1936.63	1213.68	2528.87	2380.95	1811.15	8631.63	2630.82	2278.8
Uridine-5'-diphosphate	36049.21	37517.63	35494.65	37977.96	37137.34	43452.93	36821.43	34827.49	38691.29	38275.03	37908.61	33002.65	32714.89	33079.74	51045.32	42368.78	37152.45	42381.87	74387.66	40579.39	33803.74	37783.78	34138.4	39751.93	39680.12
Geniposidic acid	56606.94	55135.72	76833.34	54861.05	57041.21	45276.31	43911.26	56586.14	34591.13	49560.28	36955.98	61150.98	54208.5	57764.95	59375.67	54392.99	68206.1	37517.47	50882.3	34343.5	58818.21	59287.7	61654.03	68935.42	52576.44
N-trans-p-Coumaroyloctopamine	2959.93	1878.7	2452.11	2389.28	2367.79	2753.38	2422.95	2241.21	3171.01	911.18	2072.07	2030.4	2359.66	1847.48	1358.61	2767.57	2796.45	1243.54	2297.31	2017.62	1448.88	1362.18	1896.02	2582.91	1429.53
Khelloside	5234.06	2817.97	6198.98	9243.57	9561.03	9552.72	7708.11	7361.8	8313.03	11163.25	6735.45	8487.96	7698.89	7689.95	7652.24	11227.85	9568.62	8578.39	5459.08	7500.5	9455.31	8841.58	5189.03	9042.41	9575.7
2-(3-(Trifluoromethyl)benzamido)acetic acid	13983.42	16744.64	1125.28	2888.31	2571.72	60656.61	2343.41	9341.59	48769.33	45680.24	8985.64	5683.05	42753.56	16729.65	23530.24	18710.88	54053.88	52733.81	35222.58	35463.67	15997.83	11017.82	6560.71	50859.85	55137.7
Doxorubicin	736.59	2061.88	812.1	837.82	470.53	4270.77	5663.06	3016.87	2248.76	5429.28	2499.26	820.81	527.16	15291.53	1700.45	18887.31	12314.02	5124.93	2956.81	1433.9	5416.43	956.93	862.65	11601.23	592.76
Zaprinast	9965.59	11759.81	8843.33	8087.84	11740.15	20929.05	5604.48	11259.19	14703.93	12257.55	14989.28	9179.34	5973.17	7803.74	8696.04	8982.71	8200.46	8267.39	8608.48	12397.92	3998.61	10166.37	16002.04	7402.47	8050.4
Asp-Tyr	6578.89	7158.74	8500.17	7463.12	7888.13	6370.39	5612.44	7320.17	6847.18	6450.56	7176.98	6045.69	7985.86	6566.59	7050.28	8046.17	8240.59	4586.33	7737.33	4389.68	5952.43	4203.78	6933.64	5744.76	7319.0
Bufexamac	80892.59	72358.63	64688.64	85865.68	65463.13	120791.38	66343.55	79363.39	93869.96	103311.81	113408.12	72007.78	67490.29	61669.14	62356.43	71606.05	78290.49	76860.93	68554.23	98500.43	61928.16	80679.42	120834.56	84640.6	70029.32
Batimastat	26295.81	40314.83	60519.44	32897.64	40789.6	81406.57	116472.23	77735.27	48597.62	130209.65	62544.41	22629.42	6482.55	262846.61	63986.22	392322.11	217272.06	115291.75	48430.53	52186.82	112913.92	15696.29	26868.11	215281.85	15007.54
Nitroxoline	26979.69	23285.32	21734.86	28611.02	29346.4	35760.44	32881.55	37018.14	34071.81	38031.84	35614.56	26633.0	22893.38	23358.92	28947.85	28796.89	30456.19	28244.46	25542.79	19366.08	22719.32	30336.95	27548.79	30367.22	26638.42
Meclocycline	109518.15	109297.1	119268.42	111803.24	148181.15	78554.08	58275.02	107642.66	120219.84	114099.65	66466.8	78407.26	40310.99	58948.92	62212.27	67870.35	67548.06	51873.75	81918.68	91233.18	81622.94	80542.84	74255.45	65050.3	58211.51
Leoidin	4773.83	6024.51	6610.96	5086.12	4965.14	5965.5	6273.52	3634.67	4663.16	4828.03	5071.4	5430.46	6589.48	4060.87	7647.35	4195.62	18740.73	3552.1	6492.51	3816.25	4695.92	5901.86	5832.85	5544.71	8064.06
12-Hydroxy-16-heptadecynoic acid	23157.78	24130.5	22505.68	17117.42	20529.55	15278.06	15696.59	6875.32	12953.71	21255.37	16449.7	18272.18	15059.84	17482.39	23368.2	18890.64	24853.16	20216.36	21105.16	25354.48	21935.2	21074.09	25752.44	24581.07	19084.83
alpha-Bixin	21132.52	13379.41	22923.52	17884.32	18607.24	6379.65	23723.75	24803.51	24150.39	24777.93	26352.57	28845.73	28536.05	26655.23	29404.18	27525.33	25875.7	33817.23	31803.59	32611.09	32935.02	33337.41	27443.63	33855.52	34490.63
Tiocarlide	51109.42	71327.97	30621.34	45818.01	55574.93	61885.64	116828.87	72305.48	82021.11	98653.81	59391.34	54643.31	28922.19	32644.7	46432.66	49870.0	124961.8	43465.02	49322.67	81409.01	22143.99	107900.0	62172.25	69050.28	47365.95
Ala-Ser	491.6	586.13	876.7	443.07	245.04	314.95	245.14	292.09	404.81	563.45	280.67	421.69	343.55	295.08	930.15	949.67	289.91	383.84	291.23	336.62	618.94	2290.89	504.92	1243.91	756.66
3-Oxo-octanoic acid (2-oxo-tetrahydro-furan-3-YL)-amide	49790.35	46922.13	47922.26	47336.85	50992.93	42032.27	46886.64	40288.02	48026.29	64369.44	42435.05	41355.26	43112.0	41750.99	49003.56	44058.1	49436.29	74678.61	49527.69	54688.77	46838.75	57984.74	49882.01	56366.81	43416.56
Terbacil	92481.24	116827.48	91073.35	152630.41	139916.26	82346.26	88233.84	90642.02	125643.39	108621.66	172755.65	189737.11	159208.61	190657.57	160682.1	148044.66	163215.88	199961.68	193593.02	161398.58	193674.41	197921.79	235348.24	239868.71	177619.19
Moclobemide	12940.25	11096.48	11131.12	12595.62	11761.89	15908.25	13932.11	13428.11	18569.69	13895.47	12277.98	11708.86	11439.63	8777.09	10427.94	12675.88	14069.07	13431.29	10495.26	13876.59	10858.6	6396.26	17168.71	14352.2	9351.28
Allantoin	8135.13	10055.59	9495.8	7933.77	8190.88	7902.24	12484.5	8179.75	10095.72	9394.22	10365.32	13038.06	6884.7	10054.95	10848.99	10000.29	9062.04	13868.5	7546.63	11408.34	7353.49	13053.29	10007.27	12208.63	10611.06
Alpha-Ketooctanoic acid	6189.92	5961.94	4278.81	3959.51	4969.82	9529.06	4957.78	6013.74	7714.31	8273.89	8957.01	4052.65	3509.0	4657.15	3730.84	4960.5	5752.42	6275.99	3748.34	7184.76	4294.97	5326.28	10062.04	4992.24	4841.11
Lamiide	36581.8	32296.74	31300.01	40356.79	35540.84	47777.99	35373.15	39712.54	40068.21	51603.92	46797.26	33669.69	33352.65	28844.44	31386.9	35250.31	35926.79	35222.82	35120.48	43093.94	30469.9	36488.74	56068.0	38493.21	34926.84
D-Amygdalin	1243.73	3458.91	2679.29	921.74	1824.97	7179.95	8734.75	4562.56	2396.86	9283.05	4852.25	602.0	565.48	23093.21	6187.94	27967.38	19908.38	8096.47	2861.69	3169.17	9315.61	636.3	2097.08	15380.99	1411.0
Skullcapflavone II	66306.07	48570.96	39911.09	114963.82	49326.45	65724.24	57400.18	60846.13	64390.65	54022.05	14141.21	73893.41	14794.42	45702.28	79576.21	57083.77	50057.54	58979.44	57175.85	54865.46	43431.06	47998.32	36185.23	50069.09	48183.31
(+)-Epicatechin	16832.07	4734.52	5468.41	18951.3	16257.67	25421.26	16131.36	17852.82	20484.08	22334.7	22293.96	15453.2	15375.68	14049.52	18660.78	8040.2	13644.35	5312.2	11303.83	21318.14	2349.06	13923.29	17942.99	20410.92	11025.12
Lys-Phe	32297.02	56170.15	62710.83	47466.28	49459.47	102272.98	127782.93	74479.39	56198.39	131313.27	75967.86	38118.11	18817.32	302531.98	92111.5	419100.09	243644.66	129198.17	58210.23	66099.14	117028.15	24562.78	40039.9	254683.56	29532.73
Quizalofop	68873.07	94626.68	14590.07	181890.27	167044.03	96818.2	180119.4	157879.63	130779.96	174688.61	134364.48	89683.03	114149.24	110815.79	28401.6	75338.53	93344.41	182117.64	84487.82	73779.3	55284.02	63721.5	72923.06	68017.01	83914.03
"1,2-bis(Heptanoylthio)glycerophosphocholine"	671.83	1717.37	1151.53	803.16	805.43	2207.26	2643.27	2543.9	1267.1	3216.83	557.39	549.8	65505.19	7788.55	3913.82	10627.86	5663.74	5235.23	756.96	972.06	3540.65	64301.94	1025.99	3590.65	865.56
Octyl-Beta-D-Glucopyranoside	1627.54	2098.54	1047.6	2175.32	1557.06	3722.18	4750.09	2043.6	2605.29	3716.34	1998.33	2842.36	2015.89	2418.88	2040.15	2300.35	769.14	4940.32	1400.86	2327.32	1496.94	2998.47	2800.53	3204.5	2984.76
3-(2-Methoxyphenyl)propanoic acid	25689.86	21940.22	28656.08	7207.86	28065.22	20614.27	14378.96	26843.11	28334.78	25543.82	18590.45	19299.61	27298.24	24836.19	24129.14	12461.41	28393.76	20780.9	38087.91	13539.69	31266.55	29314.68	24888.81	30943.47	36521.2
Acetic acid salicyloyl-amino-ester	1456.94	2295.2	2615.07	2427.75	2773.81	2265.4	2498.69	1664.2	2088.18	2395.4	1100.34	1884.63	3113.32	2496.09	2955.05	2197.2	2440.68	3048.63	2784.62	2389.25	2937.77	2148.42	2709.0	1180.6	2982.41
Chamissonolide	14056.15	11380.49	14043.41	11477.3	12036.04	5356.97	9801.57	7921.19	13421.16	6489.69	8329.05	9726.99	12056.29	17405.26	14929.66	13530.61	12711.28	14216.21	14380.63	14857.77	17522.65	18405.53	18623.51	14132.11	14633.23
Capsaicin	43783.68	34218.68	34474.09	38727.4	47993.45	69010.42	30546.14	22207.9	56458.28	75030.09	85014.19	40720.03	20665.84	22176.37	39448.24	40007.8	26612.57	27159.17	21534.81	52715.45	24641.66	32994.95	45051.94	40953.93	30927.35
N2-Tryptophyllysine	3698.53	3137.56	2766.68	2434.06	2337.86	4434.06	4624.86	3604.72	4768.94	3158.81	3961.96	3128.98	1770.63	2315.6	2213.79	3065.64	3538.91	4427.81	2214.59	2890.42	3892.5	3713.75	4860.57	4275.88	3837.71
3-Indolebutyric acid	1482.25	1280.32	1011.33	1680.57	1983.11	3480.46	978.26	859.86	2477.67	3168.42	3045.1	1582.82	949.76	626.62	562.46	1004.25	1062.2	1386.19	729.49	1918.2	537.68	1470.18	753.62	862.56	933.84
Pendimethalin	74528.77	69577.29	65103.41	82261.29	63220.09	104180.68	71247.25	78194.01	83914.52	102868.87	90814.41	68888.17	62395.52	58311.54	63928.68	70977.11	70856.93	74886.81	67804.52	83033.65	56014.49	71491.31	112355.23	70258.13	66560.66
Pymetrozine	702.5	873.32	1078.64	793.2	973.12	2057.85	1166.31	2383.55	362.5	2438.09	1420.6	811.55	377.19	12934.37	501.0	19839.41	5915.48	3040.68	1047.67	262.04	2040.36	256.3	427.84	11823.9	427.47
5-Bromo-1-tetralone	1339.19	592.07	569.25	1519.88	1074.71	11316.73	1391.58	947.86	9462.71	9649.4	441.07	697.45	8793.3	1572.7	3092.62	3421.87	9126.99	9877.22	5409.72	14281.27	1257.62	660.61	367.02	11962.23	12062.74
isorhamnetin-3-O-glucoside	14515.14	16489.38	16993.9	16259.56	22661.87	12147.77	7418.51	17191.25	22856.46	16556.36	11205.53	11237.79	3822.06	7266.62	7940.53	8462.27	9165.18	10549.58	10037.91	11082.38	10236.11	10456.17	8616.2	9232.27	7588.92
"6-Chloro-7-{[2-(morpholin-4-yl)ethyl]amino}quinoline-5,8-dione"	4197.55	3907.95	2970.98	3717.0	2756.07	2102.45	2416.32	2307.54	2680.82	3554.11	2351.32	2522.09	1187.93	2483.21	2715.6	1842.8	4978.15	3379.18	3829.45	724.83	924.49	1636.23	839.03	2486.25	3369.43
"3-[(4aS,12aR)-2-methyl-1,3,4,5,12,12a-hexahydropyrido[3,4-b]acridin-4a-yl]phenol"	1262.91	5049.78	4480.14	2530.84	3698.9	3335.91	3828.08	7796.87	522.45	741.0	3403.12	879.3	1780.91	4719.6	1104.91	1010.45	2302.19	2297.55	1252.07	1250.12	1694.68	1306.85	1119.1	1161.75	1260.87
2'-Deoxyguanosine-5'-diphosphate	31836.11	32458.35	37970.53	39035.24	37857.34	39670.71	42363.84	83468.6	67313.01	39168.95	41764.96	46347.43	41166.68	42728.67	39501.07	32046.87	38408.4	65222.76	39876.86	37681.88	38114.32	34589.63	30946.29	31064.25	34467.55
(10)-Gingerol	2775.67	10018.98	11801.33	8885.1	7355.08	19815.97	17909.01	17318.14	7388.82	20478.33	10138.63	3387.51	905.75	44572.27	4878.16	114024.81	29153.84	24173.44	3628.27	4148.64	16617.72	2674.75	2716.23	47003.31	1021.64
Glucosinalbin	48991.41	42564.56	57903.33	61064.46	40625.31	23514.32	25859.21	42794.54	43957.75	39542.41	71113.05	74509.66	58090.54	70020.68	20193.21	35485.1	87454.75	73422.73	48471.32	3336.34	31237.68	4346.88	3203.91	22182.21	18795.27
4-(Methylthio)benzoic acid	652.75	365.78	527.42	823.37	1043.47	561.64	2758.68	866.02	498.99	1198.04	353.34	1559.68	1691.54	1648.43	1718.69	1254.17	1696.1	2446.64	1727.53	1542.41	944.49	2161.67	478.29	1451.18	1634.91
s-(p-Nitrobenzyl)glutathione	2203.21	3176.88	9482.27	2995.36	5088.59	9549.31	12441.32	13090.46	6228.31	8779.05	11630.1	3868.92	1209.91	48897.66	7312.58	58118.08	45961.92	22819.78	11121.19	6531.87	18580.34	2388.02	3288.8	35348.29	1383.4
Asperuloside	12027.24	18358.41	18308.75	6680.3	22857.0	33032.46	21360.33	23613.34	20965.42	23996.97	35064.62	29905.46	32980.79	33195.73	33313.52	37050.71	30165.67	13515.27	22761.2	32233.44	9956.35	30453.7	24934.16	27993.97	28052.8
Tetralithium 3-hydroxy-3-methyl-5-{[(phosphonatooxy)phosphinato]oxy}pentanoate	44835.42	43641.48	41806.24	50287.18	54389.17	49164.58	39189.01	16192.07	39091.52	40656.36	13516.12	12157.93	32440.85	45470.32	43028.11	41558.28	40388.53	42475.83	15950.49	37780.65	37960.58	54375.27	32580.35	38662.71	34352.11
"Inositol 1,3-bisphosphate"	8962.47	15811.58	7833.35	9161.53	10893.13	20323.83	13724.45	22275.1	17714.31	13759.96	10951.45	12128.52	17214.98	12620.05	10865.33	13080.75	21628.74	25023.67	21248.51	12763.24	18050.08	10517.38	9900.75	14633.71	11886.16
12-Keto-leukotriene B4	2515.0	3906.12	4632.41	2018.35	4704.74	2369.2	3379.53	1688.74	3071.71	1774.73	1532.8	1716.39	1288.86	1536.5	1696.89	2004.42	2773.26	1067.13	1525.42	2199.91	1507.24	3142.42	3105.26	2337.8	2950.96
Cinnamic Acid	207708.76	192799.82	181617.88	185936.88	218646.68	169467.96	162889.51	212862.13	207003.3	184596.19	173569.04	167095.84	144500.35	165946.27	185620.16	168237.17	170094.4	163010.5	197182.75	187496.05	163379.61	201024.1	151607.82	159372.46	272956.87
"Hydron;2-hydroxypropane-1,2,3-tricarboxylate"	48507.9	40373.03	108435.56	59911.24	43582.68	73347.54	26735.83	55939.55	63317.04	75274.11	55275.15	59957.32	125182.8	133125.43	122401.07	143834.49	98854.8	1569.32	20890.81	154447.79	64426.05	56582.73	57058.0	59144.99	60927.54
2-Methylglutaric acid	3440.15	1183.01	466.89	2726.69	2130.88	1599.81	5276.96	9618.91	7561.58	8119.46	5459.35	2769.5	888.51	6224.35	3062.71	4591.31	8529.83	6136.48	3639.37	3471.35	1172.57	1189.72	798.39	4146.93	751.95
Theaspirone A	7452.37	6406.64	8431.97	7528.76	8436.69	7723.11	6842.01	12100.79	12672.87	9243.36	10579.34	10491.19	9784.29	12590.28	11607.9	13238.84	11352.09	15583.68	10610.72	12466.18	11858.11	16542.52	12876.7	12906.97	12119.62
L-Erythrulose	565078.57	578360.52	579403.27	554984.88	537510.63	556602.02	570529.36	572092.93	554044.13	536082.66	634051.64	616120.12	589223.79	654118.35	502669.1	542471.6	593975.46	601423.09	414875.32	569962.47	606353.26	525708.09	600420.45	591785.16	535190.88
sn-Glycerol 3-phosphate	18762.09	18756.81	16951.94	16363.33	19934.16	19941.46	17595.68	13862.71	19118.17	28054.52	22085.03	22522.01	16965.93	18102.52	13925.89	14049.47	17021.59	15216.16	17122.06	21411.82	24688.46	15257.02	20038.75	15686.05	11690.4
"cis-2-Hydroxypenta-2,4-dienoic acid"	10410.42	9004.9	5634.73	8042.83	11964.19	7305.93	8823.06	4775.22	8463.02	2288.29	5069.56	9046.02	750.73	1135.83	2467.83	1069.24	2937.47	3667.51	2495.96	6633.81	2155.02	7108.22	8986.75	895.47	3749.52
Juvenile hormone II	45932.53	52191.19	40597.15	75571.61	59195.06	89482.6	69646.5	111669.44	87050.66	95864.65	82526.67	60246.9	55723.65	46068.94	49843.29	58972.14	41048.99	56371.04	48891.87	68589.99	41775.12	48294.32	63487.09	52173.54	50491.09
N-Acetyl-L-glutamic acid	21366.63	15354.57	19123.53	20029.03	24006.46	10411.53	14459.54	11160.3	17062.14	11876.27	8569.07	8586.79	3514.43	5067.46	6684.92	5140.71	4239.37	6849.24	5914.66	10839.34	10363.35	11555.05	13447.0	6924.63	4868.89
"2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4(5H)-one"	27316.88	33429.5	13895.52	15114.18	15001.41	31776.75	29459.41	30884.08	45016.27	27688.23	25967.02	22536.35	43630.81	32181.0	25294.47	31721.62	41992.26	34891.35	20858.45	33818.68	31958.16	33095.51	34945.77	36256.52	24365.01
1-O-trans-Cinnamoyl-beta-D-glucopyranose	15569.4	8216.5	7702.7	5277.86	17283.68	15640.92	18248.42	17241.54	14944.11	14748.62	15747.47	18891.93	15853.8	19011.42	17745.43	17510.44	18558.88	16684.07	16601.93	15227.05	1819.05	12475.31	16097.05	14701.84	16075.12
"1D-myo-inositol 3,4,6-trisphosphate"	8018.07	6313.65	7408.29	5096.05	8155.96	11561.02	8655.25	7310.88	9254.08	8681.85	3793.83	8057.8	12072.05	2945.16	5416.91	5406.57	5456.18	3997.73	6192.74	15245.03	5500.59	7846.47	8791.34	3435.1	5185.5
Aminocaproic acid	68929.48	53595.66	68282.28	59289.21	62327.99	62599.95	161772.73	60907.06	55496.02	57621.53	62209.39	60964.76	65236.56	68808.16	73972.09	69477.94	69552.18	160883.82	74516.25	67586.9	69998.26	70341.96	70524.98	69714.37	70193.3
"(6R)-5,10-Methylenetetrahydrofolate"	2142.14	3448.38	10896.07	3741.93	10597.47	16271.23	20784.67	21365.54	3949.49	26037.73	16920.26	4035.01	1422.1	73018.36	6960.38	67681.61	92905.8	33344.22	12654.31	10444.06	13505.73	1064.27	3445.53	38276.33	564.52
5'-phosphoribosyl-N-formylglycinamide	934.62	1352.08	1297.33	1031.63	1482.27	7034.64	2880.68	2262.6	2273.82	2603.87	832.87	1032.12	1641.47	1585.32	3358.95	3244.61	2810.18	800.6	2606.71	1459.27	864.35	1385.79	1866.82	1650.47	1438.02
2-Phospho-D-Glyceric Acid	4649.28	4189.27	7720.81	2284.38	9821.97	4140.7	26227.51	28335.21	21088.24	17712.16	1220.95	2036.86	5512.15	8811.02	7727.72	13394.66	6988.32	21038.87	13941.59	17341.12	23724.79	19019.58	13645.06	20648.03	19712.54
10-Deoxymethynolide	16117.07	14300.58	12684.53	15661.16	13661.51	14860.4	19001.45	21716.41	19031.86	22072.48	19803.17	17696.97	14191.83	14060.35	16239.05	18044.97	14935.75	19214.21	17452.65	23709.15	16222.68	24802.81	20314.81	18783.14	18912.05
Prephenic acid	16064.73	13146.61	14349.71	14617.07	13825.23	10616.54	9220.35	13806.77	14525.19	9893.33	10386.01	9293.47	8168.78	9158.97	10560.61	8179.78	10788.58	6350.12	13262.42	11781.39	8426.78	11136.89	6101.82	8398.52	18404.64
Acetic acid trans-2-hepten-1-YL ester	1006.39	740.13	587.41	1044.84	548.74	377.58	923.35	884.84	1213.21	1640.34	1056.89	1144.12	2835.55	1482.52	1551.78	2208.73	2007.31	3601.64	1158.03	977.49	544.27	1355.93	965.53	1447.49	643.28
8-Hydroxydeoxyguanosine 5'-monophosphate	331452.64	349246.01	365835.71	465136.41	404877.33	255971.87	195699.93	228089.48	214498.39	322679.84	548481.66	526503.31	507886.42	455863.68	396791.76	317247.18	438221.94	378887.73	329443.62	58098.63	140523.33	160827.28	184469.41	197492.25	235720.36
Acridine orange	122781.73	109159.97	97883.59	130936.95	101910.77	170348.7	115329.58	122287.37	139813.48	172028.92	167844.98	117954.31	103388.01	93754.42	101445.84	120428.45	120622.13	123375.49	114548.8	146768.45	102034.5	125554.46	201380.51	133103.47	120500.31
Faicar	484786.66	354390.95	556005.25	713911.44	655529.81	968136.96	632808.38	349012.16	454308.12	761218.71	703306.87	960208.56	921111.1	662168.67	1045227.12	631919.67	455838.48	592815.18	411714.32	172715.91	309336.58	160273.62	349672.53	223332.37	233136.85
Methyl dihydrogen phosphate	125522.96	119298.54	98183.93	116562.61	136895.05	170528.55	190916.0	156722.26	137392.35	160528.71	144081.32	157066.95	143309.24	120853.38	112156.16	149810.06	127733.86	126113.94	106969.21	139123.15	170005.89	80746.31	107274.09	100047.59	85931.37
Benoxacor	3371.52	2081.94	4214.58	3520.37	4871.57	5494.53	3732.27	5698.67	5296.2	10531.23	4967.95	1061.69	469.97	11728.85	4027.97	8076.04	7106.87	5895.34	4500.88	4864.94	6850.97	3247.02	3402.53	10625.15	2634.99
2'-Deoxyinosine 5'-monophosphate	1842.19	9216.49	7846.94	7648.81	5558.44	7264.05	9917.32	12683.33	10614.82	11529.99	11392.26	5851.21	5454.29	10841.47	14098.63	12720.03	14572.81	6936.79	3258.09	18074.82	14076.14	17933.1	6343.97	14935.06	13423.23
2-(3-Phenylpropyl)tetrahydrofuran	2502.57	5781.45	3284.73	2856.22	2108.19	5143.67	5660.98	6377.33	5874.83	3435.12	2345.13	2235.25	828.24	1241.58	3540.32	3306.83	4655.81	4250.89	4076.03	4711.68	4195.86	1756.29	2454.07	3291.72	1886.01
Glycerophosphoglycerol	24914.66	28304.09	32819.09	29758.49	29264.74	18014.02	15500.36	12653.26	20540.21	26733.29	6529.49	19713.72	15919.46	15998.47	15009.22	17116.07	16214.7	16781.35	17423.55	15035.77	18428.98	18617.81	18746.71	13738.67	15492.62
3-Decanone	8018.06	5760.26	5773.96	7788.28	7086.23	11187.48	8534.38	8518.75	9079.0	10385.16	7041.47	3618.43	5907.5	7436.26	5378.38	8456.23	7226.28	7200.56	6346.55	6828.63	5688.67	7210.63	6414.64	12947.58	6442.1
2-Methyl-3-heptanone	13909.98	16348.68	15770.17	7062.5	12909.22	13380.12	9709.58	14750.98	17725.8	17875.48	16637.96	14907.71	14290.32	8247.67	12325.89	8095.25	12870.5	15452.88	8884.28	13444.29	7662.55	5756.6	9690.66	9080.88	6784.91
"(6S)-5,6,7,8-Tetrahydrofolate"	1067.37	1879.79	3552.46	2393.03	2863.73	5066.51	6951.9	7029.94	3154.48	10074.72	5375.87	598.28	611.41	21253.93	4506.09	26606.42	17875.64	7743.0	3380.68	2828.34	6274.52	979.79	1022.44	10811.31	650.13
Cannabigerolic acid	12879.9	12047.23	13107.97	9353.48	14022.56	4732.97	9040.76	6084.41	5694.9	13217.27	7345.08	2264.23	8940.71	7874.44	14041.68	5029.49	15309.25	13776.68	10633.68	10482.5	12135.86	13905.81	9612.83	14272.21	8111.8
Furmecyclox	13637.59	11565.21	10479.05	13466.56	13158.72	22041.94	12309.37	15959.37	16167.12	18183.02	22283.33	13564.94	11918.42	10537.26	8766.42	10957.62	12935.08	10364.58	11710.99	17600.46	14112.81	14920.59	16735.68	17126.54	11476.2
"(5alpha,8beta,9beta)-5,9-Epoxy-3,6-megastigmadien-8-ol"	62994.81	66817.0	50782.39	99409.49	47936.56	63139.94	115793.74	137416.17	94394.14	134352.96	138000.26	73867.5	49947.06	60743.19	97687.65	152139.02	98456.19	155333.41	145832.08	125734.98	53702.28	156787.08	176071.77	65985.3	67617.36
2-Octen-4-ol	14562.31	11681.53	11759.34	13058.93	10209.41	20238.44	15936.43	13876.85	14169.18	18542.02	24452.84	13934.08	12808.83	12527.81	18167.76	14456.77	13051.29	13679.7	11198.34	21776.04	8222.3	13629.56	36920.08	19997.03	13124.68
Tricrozarin A	13131.7	10992.72	10030.41	9670.4	10191.43	16033.02	13609.41	12666.7	12972.08	14559.89	16374.95	12645.29	9647.38	11063.56	9322.31	9588.66	11391.07	11492.37	10460.65	14400.07	9156.93	9547.02	13984.93	11152.7	8029.3
Ampalex	6219.73	5062.38	4230.0	6632.99	5681.2	8765.25	4699.9	5527.73	7923.92	9310.07	6226.08	3096.64	2550.89	3636.54	3778.33	5605.16	5000.35	4856.95	3878.82	5820.9	4356.29	5814.88	9204.12	5839.12	4350.95
Resistomycin	21440.98	21311.42	24607.24	20861.59	25545.09	30142.91	26105.81	24835.47	36725.31	35061.68	25719.61	19323.71	28467.59	18350.19	17369.22	20095.25	31270.23	29310.31	11458.74	22032.12	15150.98	14059.68	18901.57	33263.23	21458.97
"6-Chloro-1,3,5-triazine-2,4(1H,3H)-dione"	6081.62	6447.91	5684.02	4038.09	5978.64	3822.64	2880.19	5453.69	4865.67	4825.4	7285.98	3714.0	5811.06	8198.94	7030.8	7450.83	7638.46	3484.08	9724.28	6750.96	9242.62	6393.18	7807.21	6990.22	5721.36
Narciclasine	30261.65	27743.78	25355.6	33097.49	13724.65	46582.57	25127.82	32099.2	38804.59	38396.0	42576.2	27009.46	27007.8	19561.63	26268.77	28195.42	28356.45	29301.95	26671.25	34254.8	25388.94	31396.56	43890.99	29678.99	23764.1
Acid Green 25	12586.02	10084.52	12713.11	17449.61	13939.46	15352.6	18233.1	15771.3	14362.08	5746.44	19407.25	19318.8	21429.14	18320.8	16971.16	26571.33	16081.52	21459.52	19301.26	16114.97	14720.58	16497.67	7509.23	16977.57	12876.34
9-Fluoro-11-oxotestololactone	37566.29	42689.33	43171.98	46711.44	48140.46	56916.48	42973.86	58127.08	96918.8	85443.2	64220.79	56446.94	41344.22	48588.49	45911.17	39773.75	46520.59	75059.64	47968.38	73121.96	38160.86	57919.16	65803.52	67375.33	38388.59
7-Chloro-2-dibenzofuranol	1832146.11	2083241.72	1937216.08	1221610.78	2190266.56	863909.19	4177366.97	2295103.04	2204025.05	1407395.4	2341028.33	1395349.55	2154155.06	1597515.45	2453372.87	1243955.37	2249568.57	1411219.71	780027.19	1326397.55	4654113.25	2311710.49	1131389.88	2491662.54	1546320.63
8-Chloro-2-dibenzofuranol	30465.21	35163.28	40028.94	29463.17	32713.12	34431.38	24523.02	50228.19	46387.24	43026.45	82085.52	49865.1	53656.34	47517.41	41615.22	28530.63	41173.46	2247.34	62448.71	20188.34	25330.87	38356.19	60131.24	49457.25	24009.65
L-Homocysteine sulfonic acid	31744.09	26443.32	20108.48	18000.2	26498.31	48753.61	47503.12	36622.38	29249.38	38354.79	42883.27	32712.89	50523.65	28372.81	13761.63	20058.59	28173.66	35660.93	17815.91	39180.74	30476.17	10404.75	13250.64	21910.51	11006.59
9E-heptadecenoic acid	1424.98	1172.69	733.77	452.49	1573.29	734.02	403.36	785.12	957.97	747.69	875.4	546.41	379.01	558.08	570.76	970.28	1082.37	354.54	772.9	990.99	299.45	960.04	484.19	622.3	655.17
2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one	72520.81	68043.75	66912.33	71127.73	69486.66	66364.94	66595.2	74770.33	70777.99	67911.09	67282.73	74796.02	72619.98	72201.32	81308.95	75135.35	75386.34	74515.12	80950.11	77964.48	79399.79	77464.25	75710.02	76180.21	80111.44
Dcebio	7298.69	11682.07	7982.96	5001.1	7335.19	9609.17	22250.95	7427.1	7284.02	8516.93	10809.0	13554.84	14705.69	17119.02	8012.5	7444.87	19529.8	13359.98	14193.7	12469.53	24760.8	9920.75	9745.74	14468.93	8845.66
Fabianine	70970.45	65284.64	62717.28	81397.5	62708.72	104211.43	71724.49	77468.31	81894.32	102666.57	105378.54	74213.13	66484.6	59181.87	63304.42	71960.75	77969.98	76479.2	70405.65	86490.84	58615.25	78360.56	122946.07	77163.97	74390.28
Homodihydrojasmone	75472.1	70726.35	74561.97	76027.18	71480.61	63470.54	111409.54	43832.45	70105.33	71420.37	59756.93	59101.41	66411.27	65839.17	79785.36	40139.79	61068.12	113563.75	81871.89	83983.8	81793.55	87447.78	75552.51	78003.02	77255.18
N-lactoyl ethanolamine phosphate	103681.37	84848.51	82079.8	83143.24	87099.57	79745.07	17518.18	74259.54	74208.19	70284.24	58994.08	105637.27	112336.89	93781.71	113772.24	68314.95	87720.97	33388.89	99512.66	88794.62	99794.93	183743.22	105849.48	107946.73	126885.85
Flurazepam	851.57	1530.62	1665.42	2244.31	769.99	5667.7	3464.54	3255.45	3128.99	4567.07	5490.72	2378.15	1403.68	1005.13	938.75	1583.26	1389.47	1538.93	2275.7	3313.62	950.06	2447.28	2721.13	2033.34	1226.85
"Benzo[b]naphtho[2,1-d]thiophene"	93435.28	89631.74	86601.26	90472.41	93855.13	88231.92	142990.61	97084.99	90407.23	93738.95	79870.77	94614.46	97228.31	95312.12	96896.13	97125.77	96618.17	150191.08	100977.94	100246.65	100593.29	100312.57	97324.48	102966.65	100313.0
2-Propylpyridine	5303.13	3429.28	3838.64	4663.09	2867.77	4412.55	3824.67	3137.13	4262.74	5118.22	4313.82	5203.35	5222.58	3753.09	4877.67	4912.49	4617.69	4028.61	4050.7	4621.23	4772.43	4725.07	5457.31	4684.61	4955.71
Maleimide	139656.18	145949.77	153017.52	144533.61	145385.04	151139.32	153350.43	190674.25	160362.32	155653.2	210906.24	197022.9	140996.83	174739.39	141299.39	171820.94	158229.37	169182.76	149671.09	168155.19	148168.93	143559.76	164579.28	167267.49	151260.52
Sophoramine	16150.31	10638.87	14917.45	12101.24	10696.57	6816.03	13412.9	7215.32	7638.72	8428.27	9067.41	16581.87	13015.41	17549.54	16648.47	16596.02	13181.57	15038.05	17261.95	13940.25	12910.32	20307.41	17093.67	15845.14	16394.46
2-Undecyl-4(1H)-quinolinone	204627.86	192318.48	156857.03	222198.61	191431.87	206216.63	221959.5	279811.44	240270.16	268438.92	275895.25	180518.83	175460.52	162290.44	191117.85	209636.72	198634.93	222718.8	209448.89	264145.82	166953.82	249957.62	233197.42	198136.7	174190.26
Indolepropanol phosphate	2224.24	1358.81	1860.39	1434.66	899.28	2985.62	2324.23	1398.56	2860.23	4205.06	3273.45	862.49	927.39	5086.13	1333.66	4926.66	2756.85	5245.42	2125.75	2973.87	863.95	1845.21	1453.1	3657.1	1307.66
N-Nitrosothiazolidine-4-carboxylic acid	6984420.66	7068940.98	7434407.86	8059559.83	7265630.61	6124080.89	1200585.83	1604791.68	1094377.68	6175582.44	7903015.03	7679920.4	6318372.39	1959730.16	6661428.99	2197239.65	1517078.91	10392519.85	1463822.49	16073792.92	2090787.62	10711691.51	13079193.32	1486795.52	5973796.68
5-Chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine	2491.74	852.46	4022.08	2288.53	2725.14	4483.15	8597.27	4318.16	5874.4	3823.26	4469.45	8760.38	9889.12	7661.87	7117.36	8950.91	5807.57	5822.1	6390.96	6783.55	1716.24	3671.25	5550.64	3799.27	13026.88
Chaetoglobosin N	871.47	1551.1	598.69	3901.48	2440.86	3912.33	4538.76	3658.45	12478.44	5531.7	3021.82	4656.4	9448.64	2877.43	9024.07	259.64	10059.28	6491.45	5406.35	6182.5	4682.3	7094.03	2269.33	7373.18	10720.41
Angustine	4611.7	8589.22	6059.57	2297.12	2166.43	10987.59	5218.37	7934.65	6989.39	7840.27	8175.19	7350.16	5929.49	3908.2	2599.38	6673.13	5164.41	6193.01	4957.65	7908.63	3650.98	5207.02	11422.93	7073.7	4723.1
2-Methylpropyl 3-hydroxy-2-methylidenebutanoate	10444.56	11224.25	10980.33	12683.88	9413.63	8788.29	11863.36	13380.09	9719.05	10473.8	11929.99	11674.17	6627.47	8904.95	5133.41	23939.48	10603.29	28177.31	9649.51	10599.53	13489.02	12086.87	13091.29	29967.76	8902.64
3-Hydroxynonyl acetate	1550.68	691.17	1071.98	1454.29	1060.74	1736.95	2335.13	2807.9	3089.81	2026.65	1076.96	1646.82	637.22	1286.85	2455.57	2493.62	3120.16	2022.95	2378.27	977.63	646.74	2330.65	1178.11	3177.99	546.08
2-Oxosuberate	15384.86	18639.62	18447.8	19454.32	19522.01	18590.27	32142.83	18394.56	18926.76	19184.49	20312.1	19503.44	17984.23	20390.58	18171.43	17484.39	18506.01	32482.03	17947.44	17931.58	19918.56	20772.6	19646.73	21241.94	19880.02
"3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol"	33888.4	30120.87	8252.92	19773.23	26019.17	40159.72	15071.6	14806.54	25234.79	24240.57	50976.27	10967.51	11440.7	16016.98	12682.93	23525.28	22229.06	13069.25	10070.74	31770.25	13083.15	15694.97	15263.43	14537.0	2535.09
Pinellic acid	21693.55	22133.23	20437.94	21889.01	20125.9	23181.08	33578.11	38582.65	27198.01	34541.08	25359.27	18343.12	17325.0	45537.44	27876.82	69290.6	40494.07	29930.11	22919.1	25234.86	20248.41	20835.42	136789.4	51093.24	15729.77
Savinin	181380.55	176240.53	180175.24	180276.76	183979.02	174603.34	165302.0	174651.06	168626.02	167971.91	164701.2	159389.9	174566.28	168840.39	180115.12	153898.11	167262.89	163384.8	164685.32	156027.2	166108.78	171196.62	167750.84	158327.75	165575.98
Methyl dihydrojasmonate	381833.3	309622.15	255156.07	239608.67	217114.07	163030.22	173914.78	191627.24	306825.54	222134.81	374386.11	169993.68	191118.93	184163.79	180731.4	133169.56	77888.01	209816.62	181161.13	347425.97	195080.28	160399.26	86275.17	271888.38	192849.21
2-Octenyl acetate	7820.08	9995.52	14422.14	4518.58	10311.33	11304.43	12650.78	12182.14	15413.4	11336.83	15730.61	5959.51	10618.32	5670.47	14257.17	6261.75	9852.16	13396.96	13570.15	9835.97	2082.93	7361.31	2982.91	8837.6	3833.98
"2,3-Benzofluorene"	1273.58	1855.25	1076.22	3009.26	1030.77	985.89	266.0	557.81	834.04	981.76	1181.45	767.68	3402.85	1472.92	1112.96	241.29	1332.4	228.98	4260.16	387.65	222.58	1176.17	459.08	1256.76	790.93
Tolmetin sodium	52181.47	53229.75	42403.29	42407.52	47824.92	90286.29	72244.38	77956.72	72309.97	74635.5	57825.69	60642.75	67833.82	53915.32	82785.62	68601.56	57164.63	54610.31	55092.17	70695.44	50092.5	58079.88	43565.67	63573.44	76726.77
Homovanillin	12945.91	15186.21	10000.77	13494.16	13338.46	13676.88	16549.3	13589.44	12935.4	12445.71	28049.23	13792.08	12788.82	25597.71	12766.83	9028.18	7354.35	12134.5	9303.36	10986.49	8926.62	8317.3	7257.93	11147.71	9522.5
"2,4,6,8-Decatetraenoic acid dehydropiperidide"	23477.6	23837.36	23317.11	23755.98	25124.23	22375.49	17680.86	23380.99	20872.38	21265.55	25647.67	22334.38	19244.43	25685.38	22340.65	20473.05	18620.16	18442.44	18269.13	21903.44	27022.06	19786.14	22671.78	20921.32	20555.24
Histrionicotoxin	26971.52	31889.51	22262.91	33914.47	32852.96	33186.66	33647.97	42302.88	46034.02	45184.87	36379.33	28609.38	23743.27	23033.68	29411.51	29787.72	31711.79	36436.44	31143.79	41390.28	22741.64	37300.67	35045.77	35750.17	23532.79
Difenpiramide	14735.39	14428.93	15135.51	13929.18	12688.44	13800.92	19603.57	12647.5	13285.31	11223.22	4879.78	11488.58	13698.16	13968.32	13392.12	10326.48	8552.74	18417.74	13037.84	10111.47	7402.86	6989.31	9872.7	8606.25	10194.9
Piperenol C	30730.75	27166.12	27236.14	26982.93	28832.97	29458.69	27575.78	29124.14	28422.81	28298.93	28397.71	32009.43	31422.65	33283.54	34489.39	34104.47	33317.15	37932.9	36696.32	33236.41	33984.99	34748.17	31006.72	33304.78	34926.72
Eudistomin H	47410.11	57627.35	85302.22	37796.94	75503.93	72154.71	86342.9	59571.09	58254.08	37407.75	65163.97	68382.29	59768.14	78441.03	63217.14	49756.12	70690.43	38974.55	65941.04	48503.52	153524.67	65338.5	47451.39	42476.21	57446.48
1-Chloro-2-[1-(4-chlorophenyl)ethyl]benzene	19800.26	16232.26	15907.19	19019.63	19517.13	20524.36	19773.96	24339.48	20375.54	21908.88	19423.49	44716.31	20468.94	19182.19	17928.12	19753.57	21464.79	19365.74	24265.94	18605.01	22425.3	18794.04	16899.14	17322.06	16879.85
Azafrin	26643.67	15334.49	24955.12	20959.19	21215.61	23549.29	24061.55	16885.57	20102.92	23172.0	11682.21	22916.06	24413.84	32648.42	30804.44	26824.98	25723.42	29281.45	32125.04	24097.81	30716.61	40418.22	17707.33	33498.22	34795.54
Acronine	3776.55	4777.9	3802.57	3915.14	4631.39	3179.96	2894.9	1057.89	3310.35	3029.13	3094.47	2807.83	2540.26	2416.1	3802.01	4620.73	3279.17	4796.85	6890.72	4734.58	4032.81	6865.73	6511.07	5378.82	12871.5
Dubinidine	19768.51	16653.73	9377.11	21400.85	18535.03	12732.65	11642.62	15219.63	21485.07	21627.14	14340.05	15857.1	9795.76	5761.13	11673.36	5928.47	8617.81	11215.04	12791.11	19907.12	10245.14	27601.66	48967.64	18809.86	20036.92
Phenindamine	16846.53	15764.78	10470.33	4968.24	16043.3	26628.87	10005.36	15927.33	18963.55	31228.46	30569.81	14098.86	7206.81	9981.48	9585.91	13303.58	11283.92	11129.86	11090.64	22792.69	9358.77	14872.91	10122.04	13925.11	12171.46
Caffeic acid 4-sulfate	37493.12	36584.16	54235.82	42673.27	34126.18	29151.56	24645.63	19551.91	26231.97	36964.19	42623.38	37386.0	41828.07	25834.39	38888.82	40138.13	33980.73	29386.25	59918.37	32472.06	60952.63	37345.94	41627.88	41168.92	33698.2
3-Methylbutyl 2-furanbutanoate	9331.8	8646.91	10279.06	9963.05	10241.28	8062.7	20621.18	11081.67	9941.62	13535.75	11940.44	11206.69	11701.72	10974.08	9778.57	11459.41	12289.95	14099.63	9493.09	10222.5	10648.93	9422.44	10356.39	10843.92	10897.68
"2,4-Undecadiene-8,10-diynoic acid isobutylamide"	4215.2	2610.31	3421.49	3506.17	2927.4	2145.89	2780.17	2425.2	3216.74	2712.36	1611.66	1172.37	3156.85	4703.06	4405.85	3576.87	3778.89	4669.89	5020.37	3879.1	3774.96	5009.35	4438.65	3863.92	4316.89
Loperamide	8614.96	5033.08	4990.94	6404.25	3265.94	2236.19	10303.66	7061.88	8345.91	7151.57	11461.72	11735.66	10315.58	11216.23	10396.61	10966.89	15080.82	13756.31	12749.53	12974.46	14278.41	12833.41	8973.29	14782.1	11796.31
L-2-Aminoadipic acid	13881.03	12956.32	8986.62	13472.03	12808.54	20618.96	15534.81	19964.13	19895.1	21917.18	17761.89	13871.62	12126.27	9840.6	12865.76	13340.19	13460.23	11521.48	19065.34	19491.32	8787.18	15757.38	16522.25	13076.18	9636.14
"5,6-Dimethoxysterigmatocystin"	3568.16	5325.19	2630.69	4357.15	4297.59	4835.8	5154.54	6260.22	2701.71	5625.76	4933.41	4581.75	4266.1	4505.54	5319.55	5261.5	5510.77	5609.3	4394.26	3724.53	4013.63	3953.37	2916.83	4305.87	3915.4
Muconolactone	2238.8	2678.0	3633.16	3423.72	2365.84	654.49	1149.94	1555.53	1084.49	876.71	1308.29	2316.59	1274.29	1162.97	1596.79	1052.91	1105.8	548.5	2143.19	1067.19	657.2	982.08	4209.3	917.3	540.04
Tiron	4411.33	2885.75	3730.32	1949.83	3323.63	6578.95	4013.25	4842.32	5990.94	4718.82	4571.42	7379.37	5489.43	5914.61	6399.16	5432.77	6039.56	4926.5	4553.72	29903.04	6916.29	6077.74	6488.44	4299.14	8338.0
Morphinone	3002.54	1532.19	2024.26	1685.04	1478.3	918.57	1941.19	1664.33	1974.66	900.06	1545.91	1921.72	3143.13	1900.47	3734.25	2511.0	2458.62	3384.35	1604.15	2481.66	1512.2	2686.4	2513.81	2265.38	2987.0
Cyclobenzaprine	293407.34	297380.39	247788.62	339349.49	284661.32	433766.95	280270.69	332387.65	384202.29	453865.56	392039.39	258406.69	268427.87	227943.28	237745.35	271874.99	285886.34	277696.95	254760.73	338745.58	208667.87	256162.63	373492.4	313549.6	255347.18
Kinamycin D	7693.98	6483.4	4685.84	8904.21	1538.09	11847.61	9268.31	8832.29	9285.05	10054.74	9423.45	8372.51	5971.01	6226.05	5083.08	5676.61	7167.77	8259.66	6345.99	7459.05	5892.19	5343.39	8378.43	2543.81	5701.49
Phytuberin	10641.24	10642.85	20834.09	13555.25	22530.82	23813.27	42622.73	24852.64	45105.78	34512.18	35051.08	29143.49	18215.55	33700.91	28131.22	30257.92	34849.26	24545.31	24377.28	37481.32	23140.06	33896.3	39021.69	31401.87	19567.55
Magnolol	576.74	2495.33	2301.78	2225.85	1154.71	1731.22	3311.52	2590.97	1615.3	1568.47	664.15	1171.4	1171.34	539.07	978.65	3101.68	2044.55	3585.09	1937.37	1848.7	1778.47	1931.93	1866.17	2179.78	685.63
D-Vacciniin	16317.66	17657.24	21125.59	19458.39	15943.92	16068.03	17213.01	20438.54	17968.65	22149.34	4243.13	18827.78	19242.6	22497.55	18794.44	19779.45	16677.69	14574.85	17682.55	13343.85	23540.61	11109.76	21484.82	14804.57	19109.93
Panaxydol chlorohydrin	15697.78	12986.67	14101.89	14262.29	16567.02	25060.17	8861.73	5852.07	16160.71	25245.6	22145.77	4960.22	11557.34	10876.83	10050.85	13025.76	10580.75	7608.32	14734.64	18401.1	11014.8	15351.68	27981.27	15606.49	8618.32
Epinephrine sulfate	275913.62	264074.92	260985.72	263482.92	280624.61	258687.27	310000.74	271163.39	291516.77	264156.44	269652.62	269779.02	258229.71	277571.9	290658.95	287292.71	277128.91	344809.69	309458.71	308865.85	285937.53	313832.2	278466.59	289962.93	313127.89
Carnitine C6:0	6377.03	5508.47	4000.36	7784.6	6505.23	9983.96	6117.94	6295.36	8724.45	12246.95	12858.63	6846.59	4894.83	4801.76	5211.78	5210.5	5179.31	5024.96	4356.31	8789.9	4928.21	5896.83	9338.61	6486.28	3996.51
Phosphonoacetate	8665.81	13189.0	10701.97	10757.74	12897.32	10434.21	9929.87	6815.75	10175.59	10245.26	2819.48	7456.34	8634.26	6302.02	5262.09	7196.34	10893.2	7661.47	8419.26	7882.87	9818.59	11779.73	12453.8	9296.08	8312.55
Thalidasine	36073.79	30352.46	32381.01	31580.39	33212.27	29804.41	39063.95	40910.07	37206.52	29563.89	45868.96	42378.99	42674.46	43328.6	46837.64	50140.29	49038.82	45532.67	46550.6	49828.15	54327.57	50175.79	41734.4	44730.26	48124.19
Prednisone acetate	1319.62	2170.03	1706.52	1807.39	1876.19	1812.9	2408.64	1731.26	1273.81	1859.88	1403.82	1228.49	1404.2	2557.93	1108.67	2774.36	1747.38	2026.87	2379.65	1889.19	2014.4	1437.45	2769.56	1901.68	2836.47
"N-(2,6-dimethylphenyl)hydroxylamine"	613.69	544.5	719.9	754.69	1037.27	1553.7	1110.41	1015.51	1906.61	2031.26	2010.35	1032.69	773.36	690.5	439.79	822.66	442.75	1152.51	688.02	799.65	635.34	649.05	792.39	465.87	912.91
Homocitric acid	101149.2	95557.42	137665.64	96541.96	101799.47	71627.77	71654.48	88641.03	63038.94	69516.7	106392.32	106166.48	103534.1	117761.9	109445.62	120428.78	126146.62	59278.44	95049.86	84102.07	126519.85	125469.89	117717.03	113466.17	80824.96
Benzyl acetate	14268.49	11883.42	10549.77	18748.42	11227.93	13866.87	7705.05	3703.88	5943.51	9278.55	1730.51	8207.32	6582.25	721.5	6434.56	1519.34	603.94	2216.89	2684.18	3767.23	1558.9	4421.8	5189.3	3334.69	6180.52
Acetylsalicylic acid	667616.8	680650.25	647720.73	658633.45	663591.91	629337.67	983367.81	674819.89	663794.98	637800.93	580209.81	658232.79	678974.16	678226.87	680513.92	705446.98	711485.71	1063376.53	707640.98	689735.94	721313.0	721753.92	704764.95	714689.05	736880.0
Clionamide	7958.31	8690.02	8362.04	20055.46	17313.87	6537.14	10249.34	16408.19	10657.93	6854.99	10261.85	11281.94	9581.27	9376.61	4509.98	6152.81	7204.49	8475.93	10859.28	12412.51	3695.47	7563.07	4414.78	3662.68	12120.32
N-benzoyl-4-methoxyanthranilic acid	5591.65	3076.23	2091.13	5491.64	4305.36	7298.85	4247.03	7075.58	5773.26	6995.04	6578.98	3826.28	2771.48	2543.92	3839.25	3848.52	6697.39	5615.42	2212.12	7271.69	4120.58	5475.96	5167.92	3521.11	3937.76
Ethyl 4-nitrophenyl ethylphosphonate	2006.38	1540.56	1799.88	1329.77	1538.1	358.42	381.09	1336.29	1022.48	1449.81	488.99	976.86	1330.79	1416.69	2268.23	1078.97	925.38	2057.23	1856.79	1464.18	2074.26	2429.87	1602.74	1816.52	1688.8
Shikimate-3-phosphate	1360.36	4419.15	455.06	1280.89	1657.21	4894.72	6536.45	13295.07	7137.79	2490.57	557.49	1487.15	506.93	957.52	672.31	1551.02	1177.82	3447.21	934.0	1866.13	714.57	952.9	1406.54	840.13	416.78
Coreopsin	9285.93	9522.3	7990.72	8412.9	10851.21	9557.82	14361.55	13075.74	39950.3	12322.65	10675.8	14304.4	9852.96	11564.32	12196.93	12486.89	10925.79	12741.28	10061.41	12418.9	53755.43	8110.42	7544.68	10743.86	10258.8
Octadecanedioic acid	1925.07	1683.78	3991.98	2354.24	2222.5	1195.33	524.21	847.99	1391.02	804.14	1253.69	2576.08	2533.92	2801.93	2880.24	1169.28	2529.32	2935.26	3009.95	2286.87	2171.35	1713.33	2420.4	1079.45	1857.03
Pyronaridine	3880.26	5499.06	4332.82	996.68	3625.99	5907.52	7527.52	9259.93	6132.17	5579.4	4625.4	3617.98	1774.79	1317.59	5144.29	4979.33	5468.81	4892.15	5161.73	6001.66	5973.97	4409.19	4570.87	4763.27	4151.12
"2-C-Methyl-1,4-erythrono-D-lactone"	952.15	2009.66	1665.32	1081.71	2780.76	2401.57	1644.15	1819.9	1144.13	3075.71	1151.3	1380.87	1104.38	1705.29	2725.57	3466.03	3612.1	1252.94	1936.13	2581.83	1753.12	2298.66	2051.83	1491.31	1183.09
2-((4-Methoxy-3-methyl-2-pyridylmethyl)sulfo)-5-trifluoromethyl-1H-benzimidazole	43298.74	33903.26	16475.29	42959.16	44916.17	83664.29	75361.17	69249.63	70172.25	66535.25	54760.22	67126.15	69212.07	56132.01	81270.01	75123.96	60879.83	62101.19	58128.26	73494.39	53230.78	57069.72	45949.71	69010.66	79440.77
Cryptopleurine	10429.6	8896.17	11909.35	2357.68	5720.74	5140.6	14610.56	30387.45	16399.45	20116.28	32945.05	24521.31	19472.17	15903.54	23361.18	22415.09	31165.7	27641.97	23746.03	35692.69	17249.46	27063.56	17878.22	30577.17	22632.45
Epitulipinolide diepoxide	14384.45	10398.6	13359.76	10782.29	10449.16	7430.65	9477.01	6958.82	8873.36	13334.52	7787.19	8230.79	8446.91	8221.04	13963.94	15902.88	15580.06	14993.08	11210.74	12419.4	9458.07	15535.79	12521.43	13603.34	11190.94
5'-Deoxy-5'-methylthioinosine	72918.67	54853.96	58537.84	64126.47	60351.32	37159.24	29897.42	41064.09	49031.48	45451.59	83046.5	71526.18	79383.63	75730.18	62518.19	73878.32	91280.47	62372.31	60685.33	67344.31	82966.36	85338.17	73967.5	76572.41	61312.79
Belladonnine	13231.38	35773.02	46496.03	57064.95	21467.86	50863.24	50872.16	56004.11	66329.43	53554.11	28010.53	42542.0	47640.23	50520.08	38491.16	10789.25	15294.59	61074.11	71748.54	153657.85	55214.45	64849.68	49280.39	23530.13	61815.3
Heptyl 4-hydroxybenzoate	156303.16	127461.87	173455.56	147228.08	200190.55	348243.69	105935.18	121720.24	160131.91	328302.62	278450.55	180216.63	101207.35	100226.94	103707.44	121834.4	115724.41	114309.08	124712.51	197748.47	91379.82	129485.95	146953.12	175129.59	106938.4
7-Mercaptoheptanoic acid	2517.45	2515.94	4103.61	2539.38	2332.36	6293.77	2090.82	905.22	4319.02	5028.33	2545.3	1433.06	1330.44	1360.84	1168.17	1470.33	2046.72	1342.4	1084.55	1932.43	1343.28	2085.17	5963.97	2281.36	673.32
Chlorimuron-ethyl	86004.5	71194.72	85030.37	74123.92	100864.19	28311.4	34782.33	53972.44	83680.12	56527.07	16803.78	26542.8	7817.23	7910.45	19976.11	9709.97	7846.45	12455.98	24036.7	37864.77	22030.32	29760.26	29906.38	9475.67	2861.07
"17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione"	1694.14	1252.17	1902.22	1893.47	841.48	3758.17	952.69	1755.21	3231.71	1775.63	3508.94	1272.44	2004.16	1760.38	2928.43	3886.04	2003.09	2103.12	2615.78	3545.04	3404.71	3530.79	2954.03	1315.57	1325.24
5-Ethyl-4-methyl-2-pentyloxazole	23257.31	22512.46	19748.04	18682.46	21940.54	14925.23	25116.06	16109.37	21226.11	21415.95	18098.69	17873.15	24750.79	27069.29	29913.08	26314.05	25696.27	26425.08	21533.94	25571.33	27168.39	26305.79	19274.97	25538.7	22925.35
6-Hydroxymelatonin	134781.1	105070.76	126836.29	122069.0	126910.68	223934.11	197803.66	203891.28	191636.44	189221.61	168349.85	179230.08	190002.37	159846.41	222071.25	209114.5	171171.85	184963.7	164635.83	212524.36	157747.87	182161.75	137728.45	200007.41	232230.03
N-Acetyldemethylphosphinothricin	3656.51	2489.24	739.76	2845.45	3619.04	1927.42	2982.92	2876.28	4363.73	3136.56	4111.77	4225.33	3420.22	4118.5	4027.94	4179.26	4570.81	4407.29	3202.56	4393.41	3535.71	3106.97	2710.7	2804.5	2543.15
Currayanine	5363.33	2149.56	5061.39	10208.26	7823.34	3061.61	8582.61	10894.51	14152.37	19988.52	7712.58	10403.65	8808.53	4333.65	5288.15	5338.92	3882.63	4968.08	7154.81	9681.78	7734.03	10140.83	24773.16	1931.59	11329.42
Trifolin	4379.48	4310.7	2956.0	6050.17	4581.21	4629.42	6500.08	6414.16	5796.38	7174.41	5931.14	4883.38	3578.09	6678.6	3612.26	6266.95	5144.16	6686.05	5766.16	9924.24	5375.58	6059.13	6933.38	6901.43	5505.72
Lumefantrine	5336.83	5914.03	5677.43	7101.84	6109.42	8216.02	5667.59	8064.38	7170.0	10767.84	8335.93	6521.92	5149.45	6922.01	6319.28	7514.24	9004.94	8367.81	6761.33	8903.76	5759.51	8510.88	13721.09	8707.65	7947.27
"3,4-DI-1H-Indol-3-YL-1H-pyrrole-2,5-dicarboxylic acid"	9944.93	5825.96	8017.43	2289.18	7575.51	5287.91	8899.42	9067.45	10363.7	8817.34	11358.97	11073.96	9971.26	13220.63	12976.61	11784.48	12960.59	12678.62	12208.38	12467.0	13994.86	12705.6	9138.03	11078.5	12461.44
cis-4-Decenedioic acid	1898.47	1027.58	1848.68	1440.93	1174.34	2972.57	3687.12	1738.17	3089.37	2356.03	6227.64	2397.14	1614.67	1906.19	1343.38	1219.94	909.2	4664.06	920.19	653.16	1599.31	2972.06	2135.29	2197.02	2022.95
Allenolic acid	1463.33	952.57	799.45	3383.57	3859.77	500.7	554.49	3644.73	3610.0	797.65	905.8	998.05	706.78	512.99	683.59	809.42	1745.61	576.6	1369.14	2760.3	378.56	809.07	527.69	799.56	694.31
Obeticholic acid	1505.99	638.43	1790.25	1116.08	1714.87	828.81	1080.19	2558.93	1678.89	1116.9	1835.9	5742.24	811.83	633.68	2492.59	1422.64	1466.36	1591.36	1461.67	1717.14	2492.93	1745.09	4695.72	2848.1	2220.4
4-(Sulfooxy)butanoic acid	38915.66	54752.02	58112.56	27073.17	46665.01	49174.02	50861.42	45972.54	21621.69	25014.57	37473.29	51401.59	49628.66	73193.74	79293.12	41044.91	97538.4	44810.99	58189.84	64355.62	65141.93	44066.16	82597.24	45653.21	70153.86
6-Acetylmorphine	35915.04	26034.89	6665.95	36664.61	20797.97	49138.74	22085.8	28353.87	34677.53	38856.49	34205.24	22122.56	11919.25	20591.26	22832.87	25831.83	27750.28	25473.39	22426.34	30656.44	21721.0	23625.0	37387.79	32213.46	24691.51
Penicillin T	1859.37	1931.75	963.54	1050.66	1427.18	8207.24	1556.16	4018.72	1863.94	3501.5	1416.18	4547.81	5044.61	4051.98	7847.15	7377.81	1885.48	1541.71	1336.68	6831.84	1316.26	4405.76	3269.29	4669.68	6334.77
Cinobufotalin	45680.48	47015.69	50713.58	35175.52	45309.94	47558.29	18071.5	45880.1	43646.95	27723.28	45859.36	54720.57	47517.67	29866.82	50775.95	13384.38	40569.58	24738.5	32846.31	44869.73	40850.85	44035.63	48557.18	45404.24	41861.82
"5-Nitro-6,7,8,9-tetrahydrobenzo(G)indole-2,3-dione-3-oxime"	45368.71	45939.48	38652.34	43701.5	45407.84	88803.03	68833.02	77059.89	70043.5	70442.42	53627.56	57041.19	64180.78	55304.19	80861.86	69654.76	57806.66	52918.51	52287.11	66990.03	49840.52	49544.14	41144.08	60877.49	74997.05
"N-(2,4-diamino-6-hydroxypyrimidin-5-yl)-N-methylformamide"	292900.71	264444.47	259506.96	264983.33	275938.62	269774.6	198102.92	259413.35	263511.34	240815.29	283562.55	295569.46	244949.78	261969.59	227859.52	258774.91	253825.69	226320.32	221139.45	264398.34	237623.17	297017.92	252797.75	253345.97	268677.29
Streptozocin	135580.64	135472.31	132356.38	138521.78	135653.84	138942.84	173967.63	147172.82	153978.3	144046.98	163665.14	162364.77	162203.9	167455.58	169684.99	177857.52	173070.67	221405.98	183892.13	185927.27	188602.21	204411.48	172304.25	181877.73	201720.43
Methylselenocysteine Se-oxide	37437.58	39943.11	43818.22	42265.76	16952.46	34718.89	46796.4	42885.56	41620.8	36514.54	48998.34	44961.59	46912.59	25234.15	51204.82	60487.39	48408.72	52943.71	59011.74	51964.38	52804.06	62536.1	50823.92	49083.44	54722.2
10-Deoxymethymycin	22385.17	26784.39	10627.15	22975.85	24005.71	15934.95	23824.68	23167.27	23569.89	31241.32	20624.67	20416.41	19207.31	22842.34	28415.92	26219.96	26875.66	22734.9	25668.01	27930.59	8534.79	34704.77	26652.43	30934.57	13658.02
"Rhodojaponin III 9,11-diacetate"	22725.98	42074.46	31063.87	24333.03	27734.92	50907.79	44374.58	44789.24	65495.91	48366.38	35215.79	19649.2	16565.28	72386.44	52503.71	112975.62	65465.51	47539.04	36600.45	38715.07	45997.08	23839.81	21661.14	66166.44	15966.5
P Hydroxyphenyl Acetic Acid	3741.69	2527.45	6154.24	2904.63	4424.23	6429.58	20873.95	7893.72	4310.28	6594.09	3382.58	6512.81	8015.54	4849.46	4317.79	5141.47	6281.62	12607.74	4491.26	4674.64	4349.57	2747.55	2346.02	1751.88	5821.77
Nebularine	8872.04	6797.47	6453.56	8527.66	8631.55	11649.86	9271.09	14099.28	9450.27	15724.17	12196.46	8333.32	9061.98	6858.44	8680.11	10653.31	12652.25	10331.61	10171.41	13942.72	5334.53	9763.03	10393.46	11849.68	8778.41
Desethylchloroquine	9009.09	16293.21	13700.45	14382.18	13804.35	15730.56	17165.27	14973.94	15608.79	17140.83	15084.97	16293.62	18364.54	19661.05	17024.15	19964.07	20111.95	20727.13	17171.93	21064.64	21522.88	21400.22	21059.68	24957.82	19930.76
"N,N'-Bis(3-aminopropyl)-1,3-propanediamine"	2741.57	1950.88	1643.16	1978.36	2286.78	2792.78	2092.53	2478.26	4133.72	3799.87	5114.58	2703.47	391.76	632.15	2882.9	1477.03	2341.24	2914.44	2200.04	3237.62	1675.66	2828.35	1791.73	1916.08	1552.35
coenzyme B	7202.19	6228.21	6853.89	6348.95	6569.07	12343.2	9455.2	11018.49	12311.18	10605.15	8122.86	10078.52	11175.79	8458.98	11726.73	11829.47	8419.73	8664.33	7318.35	10821.2	8387.77	10837.36	6943.96	11986.2	10092.2
"7-Hydroxy-2,5-dimethyl-4H-1-benzopyran-4-one"	9095.23	8991.06	10319.33	9953.68	10219.82	10872.02	16227.08	9709.4	10761.39	10869.7	13150.35	10846.34	10551.66	11137.59	10527.88	12023.85	11224.13	18423.57	9972.43	11881.32	12122.5	12072.46	10242.34	12219.61	12113.1
Dolastatin 11	89472.85	83763.85	70577.16	80245.11	82281.4	71707.06	129329.72	74608.37	74914.18	72615.05	296515.95	96741.97	25482.16	15342.6	11557.23	13670.62	14930.31	25616.13	18480.74	20223.14	19363.85	31315.78	18892.18	21586.72	26852.94
Epothilone C	47095.35	51478.98	64785.5	42864.72	45011.93	25307.26	38745.88	50429.31	30646.3	30207.86	17297.48	12606.22	27306.45	27190.93	22604.2	22428.23	39566.68	44376.72	56381.02	39284.52	44264.94	33648.99	36338.55	49702.26	102294.3
beta-D-Glucose pentaacetate	7360.69	2948.72	5177.79	5324.5	3085.51	1596.59	6775.15	3104.74	7982.88	6674.37	9069.26	9218.04	8952.82	11653.98	11046.17	11751.43	11740.7	13472.58	11698.76	12139.73	15098.51	13698.04	8273.16	12438.48	13915.48
Cerbertin	3591.46	3233.74	3960.18	3938.8	4324.92	4115.21	5908.39	4043.21	3631.3	2809.86	2496.64	3225.74	3307.22	5391.86	3904.62	4655.83	4890.98	7588.62	4543.89	4119.37	4420.38	3712.5	3172.83	3709.44	3696.57
D-erythro-Eritadenine	955.76	828.65	1069.72	987.2	673.18	1609.67	2196.31	1902.69	1385.51	2286.75	1283.48	694.56	67455.31	7903.41	636.48	13865.9	8253.55	5419.71	1249.24	787.56	2298.93	55219.64	942.56	5806.69	603.11
N-(indole-3-acetyl)-L-leucine	23927.07	27798.43	23784.25	25304.33	23357.97	31076.6	34116.01	55929.95	28921.77	28994.04	24759.83	24717.37	23020.55	24808.99	34503.4	26564.33	25564.51	33465.43	23300.08	26186.41	26067.02	24784.91	26736.87	24877.09	24122.32
Perseitol	22831.97	17494.65	20166.59	16751.98	21252.36	21005.81	2666.3	21557.91	13190.15	11307.01	11245.07	12576.45	9698.61	9479.49	8429.61	10121.56	8102.9	10462.56	5133.2	7081.93	7306.93	12709.49	6955.26	7954.43	10780.34
aclacinomycin S	7648.77	1954.72	6415.46	5441.41	5821.33	4552.33	6531.1	9682.13	7218.48	5879.06	10327.12	9136.87	9492.65	10726.63	12738.65	14027.49	13280.02	13829.13	15506.8	13922.64	13922.97	13524.54	9494.8	13591.72	15261.41
Elaterinide	1676.13	638.63	1476.14	1621.82	2152.32	1935.3	1367.4	2562.79	1733.63	2700.19	1612.52	1452.36	807.68	1677.1	1591.45	1265.58	963.54	1147.33	1479.7	994.75	631.39	1030.22	1361.97	1776.87	1949.19
Protoemetine	963.23	2261.88	747.84	3188.07	861.54	8308.81	9197.2	9571.31	6397.07	4945.06	2109.58	2898.16	2445.44	3088.29	5230.11	2939.19	3688.67	5049.44	2471.28	6955.71	2452.98	3349.73	2600.12	3330.96	4767.07
Sodium pantothenate	571425.1	617133.96	536302.46	574848.05	598390.8	1162838.36	952390.14	976360.52	959846.07	928829.81	722172.24	751988.59	847706.5	694745.98	983026.36	928248.14	769797.86	764624.22	669472.97	899080.89	611013.25	738373.66	521612.17	802572.61	989183.45
ent-PGF2alpha	79014.07	81217.78	73668.19	67099.64	70866.64	56420.2	68220.76	58867.52	63151.17	63417.02	44457.01	55620.74	46772.55	45128.13	46141.98	57416.24	45982.58	49986.37	46525.89	81272.2	67274.15	59893.45	64811.44	49181.5	33666.85
(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]propanoic acid	7356.72	2231.42	5421.61	6051.46	6011.16	9501.02	7463.3	7395.62	7223.77	8781.3	6889.68	5331.16	6674.04	4798.0	4547.69	5780.55	6335.97	3941.38	5581.39	7284.46	4161.1	5639.58	8151.4	7409.48	4727.47
"13,14-dihydro-15-keto-tetranor Prostaglandin E2"	51846.08	28342.88	57109.6	71451.64	50889.57	60459.39	22852.69	36666.92	74403.41	30121.97	62362.58	17389.64	30439.53	12736.84	31766.3	47518.59	42717.43	36597.21	21101.11	48885.01	15489.9	56810.09	35369.87	48624.98	46447.03
ONO-8711	64507.33	79164.49	152582.93	77485.38	113216.56	198476.04	250429.93	236619.77	125564.48	293035.02	206110.41	74260.53	12569.54	682197.77	159388.69	777420.58	619271.08	363052.05	172767.23	137516.82	278952.8	50287.41	63382.5	496552.23	28856.93
Z-Ala-asp-OH	83677.82	107321.92	115535.64	103668.99	79416.6	91895.78	59218.74	174465.78	140702.94	124421.59	312277.03	190634.06	110967.79	190660.94	128280.4	213356.39	145068.27	90079.0	222003.24	141518.17	173138.74	139876.78	159144.56	177270.7	125856.26
(1-hexyl-5-phenyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone	12405.73	10663.41	14463.39	18120.48	16528.44	21325.25	9236.14	10189.4	12067.83	23754.31	18938.2	10782.45	9817.4	3741.83	9842.95	9077.62	14020.6	11091.44	7657.83	16614.74	8850.3	12375.95	16907.92	18063.07	9451.3
"(e)-2-[(2s,3s)-3-Ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoic acid methyl ester"	987.8	1868.54	1887.23	781.92	2264.85	3831.23	3817.26	1597.21	2930.46	2699.59	1661.33	1406.87	1736.61	2774.9	2833.83	1112.8	1513.85	4051.85	1299.59	1503.64	2758.72	2610.85	2024.69	1413.98	1972.04
Cycluron	144876.94	134038.39	117665.69	162660.82	123928.14	200175.96	135010.98	152513.87	176656.37	216020.65	180105.4	133242.38	116587.39	98203.41	111725.23	132919.59	127850.57	128827.45	114913.75	156506.76	103712.78	132603.81	222161.84	131027.04	119590.18
Dephospho-CoA	47882.88	51312.59	36603.49	54549.41	49956.76	34767.48	37521.08	44022.43	42550.96	50086.48	71650.52	54615.42	54033.39	48892.7	40147.03	33535.13	44606.53	37159.33	41544.87	42822.41	35740.61	64557.64	44947.85	32688.52	50172.85
Ametryn	278851.78	248882.26	267426.95	255719.37	258409.79	225202.66	256769.6	287134.79	269422.01	258808.57	286381.06	294438.7	296228.18	311770.27	304871.22	297974.57	335392.23	319086.02	330445.87	323137.41	326433.25	337044.77	278529.98	334683.64	343052.49
"12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic Acid"	186537072.18	57921209.86	224120651.4	216461881.01	217829001.59	71168928.12	200550978.04	144701543.07	171522959.12	77688083.67	44345991.29	168627548.14	199278418.93	153397255.49	130902008.02	139855680.67	132766737.26	121038299.0	143798421.94	124822294.11	180313397.4	135026735.32	248584587.4	177083622.71	180184935.05
Nordihydrocapsiate	2144439.35	2261299.91	1996372.93	2139704.86	2253474.36	2286509.92	2447253.68	3776940.1	2727162.78	3003121.29	3127846.65	2535043.04	2278333.42	1892974.72	2524335.97	2257458.21	2723324.31	2702758.72	2193752.15	3029777.54	1883985.4	2297264.59	2520262.86	2703424.47	2307540.17
Dihydroxyacetone phosphate	190896.24	212703.19	193343.1	184574.04	203900.5	302778.06	338144.28	235357.81	253726.76	273202.85	237669.45	259718.61	241887.04	233920.43	152972.8	200334.96	218218.49	175567.01	194171.85	280689.03	291585.32	135329.19	194950.01	247533.65	163357.24
2-Naphthalenesulfonic acid	5058.18	6199.17	8696.18	15134.13	8183.25	6663.13	4157.95	6427.38	5186.51	17357.49	10636.04	10673.13	4690.91	1628.62	8509.39	11095.73	4799.75	10049.48	3152.26	9264.22	11471.84	4710.31	22206.34	29513.09	15632.31
LPE(0:0/20:5)	23365.45	13680.23	18715.96	17685.35	17601.32	32066.83	28485.87	21363.85	17192.26	25105.15	8347.62	5873.95	7883.92	13679.93	15053.65	13847.28	12089.92	11658.76	11027.24	14454.16	8314.57	14701.17	7854.42	11919.57	9268.65
LPE(0:0/20:3)	58830.6	42358.34	39150.19	31886.33	49819.02	25037.96	35838.05	25692.84	26522.73	36188.41	24091.34	31615.99	35485.61	34750.73	25756.66	35008.58	19388.95	31800.89	25811.42	23921.21	29870.54	39477.32	21615.66	29662.28	27170.25
FFA(16:0)	13269.2	21625.66	25068.18	20307.93	12386.01	17063.62	14495.03	20533.37	33520.72	22415.0	47428.12	41477.65	36779.27	27450.31	31153.37	26090.01	25159.0	15679.39	24765.77	18769.96	12044.44	20303.98	12065.5	14694.76	24545.72
N-Acetyglutamic acid	72276.42	63573.09	66021.5	87420.18	100653.36	72896.2	66375.78	66066.55	85660.64	96145.07	97421.23	105174.18	65119.66	82842.96	68755.03	76433.89	78462.81	76343.48	70788.62	60997.53	70989.22	77244.58	118230.77	88704.51	60580.26
"(Z)-7-[(2R)-3,5-dihydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide"	12284.28	111041.72	300058.9	84888.79	249788.35	58170.78	371526.9	535158.22	104728.84	120362.0	103780.44	358817.54	596150.09	102351.16	324260.98	7613.77	65997.21	379357.65	439257.28	115462.13	391142.94	534783.57	44638.11	95475.18	495738.61
2-Benzylmalate	2627.35	1004.38	1093.74	1314.78	2667.32	476.56	2410.92	3399.46	4876.56	2389.92	3352.95	1057.47	1771.53	2256.95	543.16	1530.48	3103.08	2322.36	2369.97	2344.02	597.39	1027.21	777.25	1635.56	527.53
13-HOTE	13635.69	5662.79	9135.69	3940.91	13489.64	13003.42	21487.95	46183.13	61698.71	40830.88	7819.78	16447.49	1708.74	121990.9	38070.4	349485.57	55534.31	63421.92	8776.76	10332.85	21625.27	9655.54	802.26	38136.48	35831.51
3'-Carbamoyl-6-hydroxybiphenyl-3-yl cyclohexylcarbamate	10772.86	9646.69	8692.45	8138.94	7007.45	7427.34	16500.41	10050.96	10548.16	8829.06	11658.85	11466.67	12034.86	12074.3	11381.86	10947.33	12514.67	21465.36	11612.45	13251.29	12205.69	12936.83	15011.29	14602.06	12421.58
3-(4-Hydroxyphenyl)chroman-7-ol	7944.77	5765.6	981.6	2145.77	5821.99	8674.29	8921.42	9515.56	17604.99	11117.1	6672.9	6854.75	765.94	4118.76	5673.47	1675.74	2303.87	8381.2	5117.21	4814.65	526.36	4234.65	5476.16	3254.36	2905.33
Phenacetin	3264.66	3037.98	3158.03	4325.32	4442.75	5795.29	4394.23	4735.27	5911.84	6318.72	5389.12	3611.28	3328.57	1587.23	1964.77	1783.87	2745.6	2375.93	1954.18	4135.72	1500.35	2114.69	2812.0	2213.35	1680.25
2-(alpha-D-mannosyl)-3-phosphoglyceric acid	365183.51	238026.48	472703.72	581768.24	503306.69	788447.41	730021.18	249085.39	390414.96	613850.85	450251.96	776931.52	755765.17	554824.81	866261.71	570301.65	316300.14	555527.48	304014.7	138492.42	285831.61	127266.78	293685.12	171575.23	176228.5
Lonidamine	11274.58	10366.06	11180.5	16776.41	12247.77	6001.26	9856.86	7067.64	6000.98	5478.37	5820.76	9166.33	6892.24	4841.74	9172.45	6170.86	1999.77	7016.26	5507.37	7133.71	7693.1	11444.33	12280.52	5888.17	8806.96
L-cysteinyl-L-proline	19491.59	21480.56	12950.97	13644.77	13844.42	6645.99	4189.46	14703.76	9887.09	8535.97	17224.46	11327.26	6442.92	13751.93	5832.0	10146.7	13203.49	7924.23	13175.89	7573.95	9503.76	22348.18	10483.8	12306.53	17458.66
"Sulfanilamide, N1-(5-methyl-1,3,4-thiadiazol-2-yl)-"	1827.57	1702.16	1638.64	1778.95	1653.61	2331.39	2970.38	2146.89	1991.42	2134.63	1899.23	1724.11	2468.7	1575.31	889.12	1796.47	752.32	2672.72	1496.09	1554.95	1724.84	1952.49	1868.95	2714.05	1684.21
"2,7-Dihydroxy-5-methyl-1-naphthoic acid"	14673.76	8106.71	11639.92	16877.97	16597.51	13208.87	8643.5	6463.99	11872.94	7992.51	11352.14	14881.32	11770.26	1960.0	12229.13	8829.65	4858.52	2619.75	3443.46	5559.52	10480.07	23669.43	14409.6	3371.98	9943.11
Triclabendazole	9474.95	11819.37	10546.14	8861.61	12303.07	13854.95	20618.31	10263.91	13223.85	9134.45	19230.99	17185.97	19455.99	19232.67	13795.01	65980.28	10146.56	27288.7	13060.6	10665.39	22319.11	16207.21	18918.65	20755.22	13475.67
(R)-Naproxen	9435.16	8031.58	10176.49	7791.37	8944.7	7894.41	15005.44	8264.77	8683.54	8768.89	6696.71	8446.03	9877.72	8468.78	8921.49	9818.31	8441.99	15205.55	7589.14	9081.35	8912.8	9202.03	8317.96	9166.22	8864.84
(R)-3-Hydroxy-tetradecanoic acid	3939.77	843.53	1873.27	1234.29	367.44	1245.7	980.47	512.64	2218.31	972.16	1447.76	2023.09	646.3	1932.66	4415.32	3910.66	1426.79	2892.48	3500.11	2517.84	456.16	2510.19	406.12	1316.5	541.63
Parecoxib	5756.5	3752.13	5581.52	5523.44	5900.44	6195.66	7025.37	4450.89	9879.76	8872.21	9135.32	3349.38	6326.45	4117.33	6945.2	1046.98	8232.46	8743.72	2921.29	4783.78	1683.07	4563.46	8124.24	8605.9	3848.28
Bisphenol A	77608.88	70492.01	77535.28	67037.73	109669.16	56921.51	48112.94	60036.81	52941.13	53884.56	60327.8	71186.63	76904.5	52029.76	85832.38	77257.29	99827.31	83064.08	57827.41	57344.74	29151.51	144915.67	51312.44	108633.51	96279.99
Melibiose	88144.95	72784.4	66795.95	65932.7	80120.89	54476.97	49105.63	86009.74	18012.31	59054.87	42868.19	16194.48	14688.21	25917.94	24566.84	29552.48	27815.03	29287.14	21620.18	60833.98	26217.41	34726.54	27220.99	22368.79	18647.56
"2,4-Dihydroxybenzophenone"	57503.28	57723.9	61187.16	60231.24	56098.96	57402.85	90594.31	59785.38	56522.02	58489.61	43658.92	65400.12	69054.45	56584.78	64706.27	68815.15	66602.91	98074.13	65234.32	70611.58	67370.34	57646.75	64455.07	68406.24	65476.84
10-Hydroxydecanoic acid	14465.48	11881.21	12182.46	19626.37	13796.92	24393.51	19904.29	14551.76	18263.58	20874.31	20651.02	10052.84	14433.25	13988.17	13554.43	16740.98	16156.82	14438.74	11755.21	15379.82	13454.07	20398.05	17368.67	22021.61	11943.74
Ciglitazone	1495.55	3909.52	2691.31	2560.23	4284.73	11649.45	5537.79	6955.11	6602.35	13081.63	8239.69	6657.66	4009.73	3844.36	5027.51	5827.24	4862.04	6481.98	4747.46	11565.42	1933.45	8752.11	11004.89	6506.11	3616.95
"[2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate"	26023.91	18857.46	18796.34	18665.58	19585.71	17331.1	23042.9	15299.89	13510.35	14136.22	13572.23	19439.95	21846.72	18213.73	15901.22	17972.1	14126.85	16055.06	17113.2	15007.61	16643.91	23167.13	13742.66	13106.94	19414.01
Morpholin-4-ium (4-methoxyphenyl)morpholin-4-ylphosphinodithioate	8382.3	7029.95	6352.9	6235.79	9231.79	4930.43	4707.68	6479.78	5090.42	4240.18	4822.29	5840.44	4611.08	4233.86	4808.06	1723.09	3182.69	4538.68	4505.29	2943.9	5616.61	4045.38	4852.75	3841.45	4537.2
"4,4'-Sulfonyldiphenol"	6173.78	6952.49	6207.56	6289.75	6525.13	7697.02	9658.26	7697.86	8001.54	8595.75	7916.38	7402.04	6688.85	6487.92	7198.74	6718.76	5960.24	9820.33	5863.71	7196.57	8124.67	7333.46	6780.96	8898.54	5695.62
N-Methylisoleucine	2101210.82	1898136.54	1986662.48	1955327.44	1963926.67	1818276.72	1989521.74	2071782.1	2024526.66	1928406.87	2057696.42	2119792.34	2088178.36	2132729.56	2123927.45	2114811.6	2229056.81	2088399.17	2191359.05	2153641.83	2154220.55	2159536.5	2028671.35	2159016.86	2160605.17
Luteolin 7-glucuronide	20033.83	16802.91	13525.86	21647.42	19011.96	22856.38	17430.7	17118.09	19106.6	21422.84	20705.28	14788.7	15053.18	12566.67	13383.92	12928.66	14015.77	15303.63	13756.89	16446.32	13981.61	16621.99	24326.81	17431.51	14801.24
5-Acetylamino-6-formylamino-3-methyluracil	103697.5	105007.49	88492.21	95445.0	101998.43	90520.68	97289.16	98213.7	117002.06	98351.59	111266.66	113138.75	112768.64	117886.51	108268.97	123877.48	132691.45	118948.85	122634.19	105510.71	128386.72	137544.48	106174.52	112893.88	160053.57
8-Chlorotheophylline	5007.31	5137.92	3374.42	2266.51	3107.82	5826.18	2561.94	4306.97	5993.53	8368.06	7312.9	2497.31	1673.36	1613.55	3109.87	1912.75	3114.08	2593.7	1723.06	5350.09	4852.94	2446.69	3334.78	2899.04	1466.61
Gln-Leu-Glu-Lys	1944.84	1233.31	2306.87	1532.17	14475.86	28728.23	12281.82	12230.21	13627.42	19672.11	7546.86	5736.71	1511.04	18184.74	11616.89	7139.88	4302.11	7066.37	12622.19	9666.75	2142.7	5885.4	2970.73	1592.9	12232.15
Metamitron	32216.1	31137.32	32972.63	34261.73	30846.89	59073.57	22964.63	23302.49	44128.71	50878.26	53026.38	27559.81	23481.42	19441.33	23824.2	24139.07	23162.4	20654.99	21711.12	38706.51	19352.57	26688.14	40486.57	30869.67	22843.21
4-Chloro-2-nitrobenzylalcohol	57653.74	37971.01	100581.26	84172.66	138307.79	84460.89	93776.46	40198.31	65301.17	79414.64	30605.15	36713.77	69061.48	35494.41	22018.2	53826.37	51674.51	56757.21	665825.89	35143.22	40750.75	20083.63	20229.87	35084.22	39322.62
Ile-Asp	167227.95	207161.0	136821.24	186970.5	230850.84	136371.53	111421.21	205862.67	228990.25	173825.73	134884.12	126901.02	96237.25	121902.91	150665.78	112449.54	131522.71	93336.41	169781.74	158429.98	115350.63	165515.04	95718.81	116659.5	298313.85
Dihydroconiferyl alcohol	1457.73	5753.1	5253.72	5416.19	4005.2	8061.42	5653.54	5275.23	7707.34	10684.25	8143.77	5439.86	5297.13	5503.64	5029.63	9410.99	7903.16	4654.61	5604.73	7589.45	3850.67	6506.48	9524.63	9906.22	4695.31
Bisindolylmaleimide i	3362.28	2992.13	2232.32	3831.93	2746.12	4547.41	2670.59	1612.6	3621.6	5701.86	5320.81	2377.38	1500.35	2226.93	1955.82	2324.43	3246.58	2624.74	1966.26	2242.28	674.47	505.42	4552.2	2406.13	1451.57
"Deoxysappanone B 7,3'-dimethyl ether"	39737.88	38508.52	40391.02	40612.97	41116.66	39536.65	33592.69	37298.8	32675.64	39567.69	32158.04	32298.98	32738.78	29896.91	34659.13	29756.04	30090.87	28085.58	29507.62	31087.27	30549.5	29397.48	28232.41	30955.84	28170.75
Quinamide isopropylidene	5268.11	4827.24	3942.12	18313.3	11812.2	22936.0	21436.33	23560.38	33751.74	24496.32	8062.21	10017.02	6858.49	7726.34	11651.7	12286.98	10075.17	10407.24	6258.58	24107.43	1721.54	3419.5	1139.02	5462.31	9203.81
Uridine-5'-diphosphogalactose disodium salt	59532.2	46942.34	68093.63	78106.87	72399.8	47358.36	1559.43	45984.61	65337.6	62708.7	112561.01	103440.03	133141.18	118920.19	120126.29	114922.43	79166.45	87237.73	72657.37	35183.72	58136.6	70081.62	39889.85	83068.0	93241.47
Phaclofen	461996.5	371045.42	368651.61	511701.5	424326.27	306850.22	322833.63	210119.95	396174.93	307401.67	407879.68	409139.34	311215.52	169483.51	377069.44	107922.73	196461.72	371678.13	393862.81	505716.98	446920.73	593331.31	671079.29	232577.6	446440.98
Methyl (2S)-2-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-3-phenylpropanoate	12539.17	12105.66	12503.27	11046.34	11675.18	11981.65	10030.92	11595.32	12380.01	12453.39	13283.0	12567.38	12771.86	11467.51	10526.27	10604.72	10659.21	8475.55	10275.38	9986.65	10274.25	10255.88	10713.8	10138.1	10802.03
N-[1-[4-(5-Chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]naphthalene-2-carboxamide	4736.47	11981.88	12131.37	8933.23	9398.34	21847.65	27091.08	16299.08	9695.86	28746.58	14971.36	3357.89	3567.94	69728.01	18612.83	94312.27	55230.32	27949.71	10870.36	13071.68	21666.14	5111.02	7225.89	56644.48	5089.8
11-(Dansylamino)undecanoic acid	74255.89	127072.48	95785.45	77414.86	77359.56	133581.46	147819.55	154932.26	132371.17	118551.79	94193.57	84857.1	54308.01	74976.73	110591.17	112636.07	112340.88	130822.5	142096.77	130088.21	145453.93	89229.3	87003.66	103028.65	87012.66
Thiacloprid	55901.4	56322.21	58295.8	59536.39	65783.56	62370.59	83998.66	71275.71	57940.26	62500.58	59823.6	58550.93	58922.4	61405.26	63684.41	38297.15	55475.05	77820.86	60755.39	58755.61	60793.13	50644.35	53116.82	57357.27	52627.13
Glu-Val-Gln-Glu	1173.7	1002.81	2933.31	2267.97	1903.09	7709.26	7718.93	5355.83	2955.85	4832.65	3754.9	1314.36	67323.6	31424.3	4162.02	32973.27	22031.6	10068.04	6141.74	1604.87	7449.65	1502.89	1260.27	13920.02	809.89
Theaflavin monogallates	61570.95	63923.45	91842.82	68018.3	66079.64	42675.89	36652.49	54741.79	50192.58	50420.75	71709.78	78391.19	87501.45	77974.1	72613.46	85888.8	82825.85	44748.77	67798.63	58129.16	86661.94	92659.18	92641.23	75129.84	63935.67
"8-[2-(2-Carboxyethyl)-5-hydroxy-3-oxocyclopentyl]-2,2,3,3,4,4-hexadeuterio-6-oxooctanoic acid"	3975.13	6558.8	6081.91	11612.72	5598.55	4190.26	6905.11	8337.03	12012.75	20294.41	10336.32	8928.59	7411.73	4462.89	4911.92	2901.38	2078.59	5117.46	6530.67	10646.48	6410.66	12648.07	18840.34	5424.05	8590.52
"3,5-Dinitrocatechol"	26891.0	23717.04	20854.14	27144.88	22608.03	36915.3	30432.96	28417.54	34384.32	41818.04	40503.09	23809.77	20310.55	18842.21	18829.46	24579.34	22589.11	23145.49	19481.1	27196.33	32518.39	23752.52	24561.29	23237.52	20371.98
6-Acetamidohexanoic acid	1021563.89	1058954.37	1014849.13	1312266.1	993113.83	1066342.95	1229892.88	1269192.88	1032445.03	1058027.5	1089238.32	1312117.47	1291254.75	1056060.04	1062631.16	1100522.38	1103683.94	1263317.07	1106342.67	1093739.56	1063351.31	1067353.59	1310749.32	1091394.91	1092783.68
Glu-Asp-Gln-Asp	666.16	3258.14	3671.5	865.78	3265.55	11174.11	10797.47	10195.16	3222.62	9460.5	7314.2	1160.9	932.19	37712.52	6217.93	39602.77	40496.72	18634.22	6678.15	4431.59	12889.07	1460.69	1103.99	23512.22	425.98
"9alpha,15S-Dihydroxy-11-oxothromba-5Z,13E-dien-1-oic acid"	22243.01	25474.44	24001.26	26891.75	24517.37	24866.85	39223.9	23350.7	24643.45	23367.5	21982.1	15991.75	20168.2	24243.43	27580.51	27094.87	25933.89	48300.39	25288.02	26448.81	26726.76	24936.53	22850.64	24122.61	24693.48
"N,N'-Diacetylhydrazine"	172038.6	156841.68	162349.95	190054.5	177767.53	162393.52	79924.4	169431.61	150203.49	144173.57	249116.99	181903.36	133164.89	114216.76	117185.69	130184.67	100693.42	111766.39	126852.72	120552.22	127304.49	94201.65	125967.43	100022.28	115109.23
Quercetin-3'-glucuronide	10043.9	3773.79	7126.85	3866.03	6223.55	9077.63	10579.59	9726.99	14371.92	6378.51	8650.54	16278.66	13737.13	12224.65	4675.47	4685.23	5031.23	23727.19	9801.22	15561.87	7846.38	8268.9	11330.52	6214.56	12068.01
"(2,3-Dichloro-1H-pyrrole-4-yl)(3-chloro-5-hexyl-2,6-dihydroxyphenyl) ketone"	40906.29	39372.31	42219.39	44373.15	38902.92	40807.55	39324.2	44884.62	40432.44	42211.5	48869.67	54239.81	54769.68	50640.09	48485.64	54023.35	60871.55	53768.31	57432.31	50794.56	35886.89	59853.69	57641.18	59092.32	55873.01
Griseophenone B	3537.74	2228.86	1894.66	1614.94	542.4	2928.01	2358.23	2612.04	2704.25	2151.48	3299.4	525.65	1648.97	3350.96	1584.72	2990.57	3132.34	4836.69	2696.08	2923.77	1270.22	3475.61	1910.94	2419.63	2418.75
Isopalmitic acid	17947.73	48818.44	12159.52	65801.58	21101.23	10954.38	14601.7	14827.25	30372.91	14263.99	18275.63	27732.71	15935.56	26054.89	20350.94	11086.72	17973.99	23179.39	24660.65	12764.32	17488.35	72312.45	62770.4	69120.96	70592.71
Glu-Asp-Lys-Glu	19955.33	15694.53	36690.49	13526.2	18896.73	52890.38	43476.04	42464.41	22694.69	48536.15	51079.79	20891.75	4329.07	202742.9	29230.64	219740.43	215944.46	92216.03	43843.91	26957.58	49783.11	10416.92	12101.37	71283.77	7538.34
His-Phe-Ile-Lys	2390.44	4268.51	6667.28	3811.48	6181.25	5462.78	9181.72	9190.41	9871.65	8952.89	3987.62	4964.01	10623.72	11392.64	5317.21	2001.61	5563.57	6265.21	10357.45	8630.41	8062.22	11485.06	5692.18	7841.79	8110.07
Tyr-Ser-His-Glu	6895.99	6701.92	6900.72	5029.21	5868.29	5570.22	5211.99	5757.74	4927.62	5711.99	3390.83	5607.27	4593.29	5593.22	1702.71	5847.86	5955.06	5296.69	3948.41	7720.4	6246.81	2316.65	5341.46	4992.96	2353.35
9-nitro-9E-octadecenoic acid	6197.75	7079.56	6574.26	7728.91	8451.75	10731.98	5536.54	6292.24	7275.62	12739.89	10060.64	5074.61	4729.88	3925.65	5709.19	5246.71	7761.94	5201.53	4627.59	9592.39	3887.94	7037.62	6674.64	9010.27	3807.64
"(5Z)-5-[[4-(2-thiophen-2-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione"	355291.24	502048.29	1210612.42	644851.46	409546.22	411282.98	534095.12	543753.89	562650.08	309662.08	734637.56	379439.07	124586.06	414516.99	148361.4	282843.21	283335.9	510196.99	337494.29	309319.36	260072.46	502975.28	1267991.78	369168.99	298099.59
4-Tetradecanamidobenzylphosphonic acid	34206.17	34900.64	37068.61	36287.45	36363.97	35209.42	60954.66	39211.48	36524.18	35810.7	31719.26	12977.5	18674.27	19845.46	27761.98	34790.03	36545.53	65476.24	42750.55	38877.54	39762.46	42953.76	38871.67	41018.55	44647.08
Folinic acid	4991.14	5108.39	5501.32	8141.42	5577.89	6727.32	3110.33	5796.19	7399.99	9548.57	7988.53	5700.32	4749.02	5960.7	3937.38	6162.49	4268.37	5090.62	4719.28	4055.71	1253.95	4620.8	8181.41	6549.73	4959.76
"2-[(1R,5S,6R,11R,13R,16S)-6-(furan-3-yl)-11-hydroxy-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-9-en-16-yl]acetic acid"	5061.12	3323.71	4002.26	1155.29	4139.97	2987.3	6708.15	5091.36	5553.55	4991.11	6226.46	5757.1	5471.32	6256.76	4853.14	5481.18	7807.67	6266.28	6318.26	6446.94	7507.64	6980.12	3862.45	5341.2	7697.42
3-(3-hydroxy-4-methoxyphenyl)propanoic acid	48470.67	49223.13	48366.62	46535.38	53914.5	41292.29	39736.83	44252.45	45739.7	47418.64	37289.94	41010.44	31421.0	35307.45	37985.45	38896.82	38244.47	36794.77	36796.83	32247.13	33379.16	46823.8	37108.84	36630.84	39484.36
Apigenin 7-glucuronide	920.41	447.61	1879.74	1069.75	747.43	725.72	1107.18	555.4	1107.69	944.67	2025.13	1880.06	657.16	410.47	1152.15	1826.55	497.44	666.9	501.18	1152.26	1395.15	1913.43	1472.31	1217.32	1847.09
5-Hydroxypseudobaptigenin	2385.3	2008.58	2117.92	2110.14	859.31	2249.02	3259.05	1792.9	931.36	2170.61	2513.82	1965.22	2477.32	2966.5	2800.54	2830.49	2193.45	3833.38	2886.19	1865.42	2857.53	2581.23	2484.77	2700.89	2508.91
L-Tryptophan-L-glutamine	9589.21	6974.59	14467.64	7283.83	13882.69	13259.78	21735.11	39932.7	14611.84	23468.5	9542.15	5953.33	527.04	26374.06	11423.11	27019.89	23855.54	20893.91	25048.3	14518.46	15965.73	1136.23	3287.87	42091.78	864.43
Glu-Thr-Asp-Arg	727.88	1328.54	1389.74	593.18	1471.39	5230.75	6812.47	1509.81	598.33	8199.62	2429.92	1526.04	307.9	23524.28	3215.92	34825.81	20444.38	10729.66	3220.49	3940.29	3708.73	1205.06	820.59	21990.92	838.43
Tyrphostin 23	60005.36	86486.32	82429.28	68267.69	68991.96	73071.0	34436.83	116141.91	98095.76	103712.25	123762.78	119265.99	74835.73	138974.32	133732.23	131944.11	160764.22	65857.07	126182.55	146177.96	130353.62	165906.64	133081.11	141654.25	139262.01
8-iso Prostaglandin E2-d4	15784.5	12109.71	11053.87	10915.59	11547.33	9146.85	11263.16	8203.55	10598.11	10977.41	7638.41	8214.08	7946.23	7115.23	5447.28	8583.67	8180.52	7465.7	5714.99	12427.36	9939.14	7914.45	11799.71	6859.55	4626.05
1-Stearoyl-2-palmitoyl-sn-glycero-3-phosphocholine	41316.69	30662.26	41313.08	98582.05	30468.21	14238.18	25920.33	8258.81	8692.09	10033.29	26295.78	99059.49	14260.15	27690.92	37670.63	18174.59	10398.99	47462.69	39605.75	9013.39	80227.58	19881.71	41933.25	98936.28	41413.31
Dihydroxyphenylalanine	43687.31	45700.68	39840.02	41295.25	45328.39	84760.87	61029.65	67599.97	70961.97	67401.8	52628.82	59351.58	64783.72	51878.25	78120.79	66959.39	56101.72	53689.47	50873.75	64466.12	50076.67	57216.77	40766.93	59507.51	76702.97
4-Aminoantipyrine	12421.31	4867.28	25390.32	10793.28	22584.49	31096.1	41138.45	35430.35	31861.11	64785.68	32338.15	12229.14	26926.78	75386.2	22475.83	69264.64	66890.44	61000.23	27974.66	32830.21	39385.62	16658.99	16121.42	84041.37	8861.89
Trp-Phe	15768.22	16114.89	15616.22	15989.86	16422.74	14799.9	14641.62	18478.37	15473.83	15840.01	18485.12	17595.75	16275.93	15901.55	18046.0	16958.59	17881.68	18040.6	17846.95	17232.25	16809.76	18056.52	16236.99	18292.52	14974.69
Lys-Gly	14686.4	16664.62	16043.41	13308.82	14553.92	13240.22	5271.36	4814.08	14101.73	8574.08	13753.1	14216.9	13582.09	16250.92	14732.33	17131.95	14918.34	14322.24	15397.17	14102.33	16018.77	14368.61	12553.48	14069.38	12353.85
beta-D-Fructose 2-phosphate	15508.56	26089.08	12539.29	4626.66	10811.19	31244.3	12616.99	28111.88	28489.85	32214.3	20874.38	19707.82	14210.05	16121.8	4714.17	11777.61	29715.72	19339.0	20231.13	20788.61	39204.06	841.04	5055.94	10449.88	2529.1
"2,7,4'-Trihydroxyisoflavanone"	3318.45	2381.85	1201.43	2771.95	2767.01	2335.22	4335.33	2298.4	2123.87	1367.46	493.27	3615.47	2186.25	3614.31	3366.9	3149.97	3339.73	4262.97	3154.13	3327.39	4427.98	4239.8	1538.44	2256.69	2007.93
"5,6-Ep-15S-HETE"	11728.09	22924.08	14430.29	12224.43	14211.4	26307.46	24761.05	30082.33	26579.54	23318.53	18735.23	16208.78	10783.39	12313.61	19587.34	19514.34	25514.02	26408.06	27353.35	23550.37	23528.12	15107.1	16226.26	21826.1	14492.93
N-Acetyl-DL-glutamic acid	5052.03	5493.2	4525.09	5731.35	8645.53	5287.49	9182.39	5274.72	7734.71	8791.23	9815.13	8385.28	5934.58	8253.04	6883.39	11372.73	6626.23	10322.96	7175.7	6813.22	7502.09	6724.87	9868.82	9269.8	9303.21
Yuzu-Lactone	114130.18	112986.81	110559.49	115574.45	118392.45	110829.12	135237.15	112040.51	120046.98	157028.31	122304.88	104612.81	108837.24	97480.85	118568.72	106149.04	124166.89	151196.62	160979.42	128004.0	114704.79	129618.07	116850.7	130934.26	107715.45
5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid	765555.23	875330.55	629137.66	934156.48	857858.42	1026055.81	1007744.62	1332509.27	1217892.36	1349292.07	1218389.68	865490.14	786797.3	652397.08	831810.75	867515.14	904784.13	889898.78	852233.36	1061323.36	617886.44	894875.85	962212.05	927679.59	756216.45
"6-Hydroxymethyl-7,8-dihydropterin"	20728.67	23105.75	26240.81	25802.69	24833.77	21692.12	14155.38	10490.76	17458.55	16542.18	28080.75	28138.79	12694.94	4991.81	15250.83	3670.97	11732.53	14209.71	11471.96	17491.17	14651.56	21578.4	25381.93	10692.75	15520.0
(10S)-Juvenile hormone III acid diol	8438.53	7610.91	9250.03	7945.06	5268.0	9156.48	6298.45	12180.9	14743.05	15354.39	22137.17	9720.3	7561.41	8427.87	9217.65	10225.16	10671.19	10455.87	9742.67	12991.63	5165.46	8232.07	16348.6	12760.46	9062.62
"dTDP-3-O-methyl-4-oxo-2,6-dideoxy-L-mannose"	4318.94	4077.66	3201.44	5757.82	4438.78	6965.73	5702.57	7444.94	6886.05	7220.94	6139.9	5087.95	4973.34	4072.12	5422.01	5001.65	7077.82	5857.91	4607.7	7993.26	2600.14	7409.99	4930.19	5445.62	5141.48
"9-Fluoro-16alpha-hydroxyandrost-4-ene-3,11,17-trione"	568410.57	609365.85	240276.69	99926.6	296382.78	615060.22	359853.94	695045.36	907971.12	809872.47	650365.13	235193.2	277599.36	730991.91	495973.18	400371.52	407498.18	483834.29	657509.37	707833.16	584565.32	912394.52	202533.83	415057.03	442937.41
(10S)-Juvenile hormone III diol	24231.69	27798.45	15134.44	39142.45	33052.16	36033.21	37154.42	58273.61	46288.39	68879.08	50917.61	23023.6	24671.37	18076.8	24752.09	29161.6	30591.75	26686.92	32431.35	49230.86	12639.96	34539.21	40508.8	28888.27	20524.5
"3,4-Dihydroxy-3,4-dihydro-9-fluorenone"	35430.73	54621.31	40515.63	57925.42	48214.66	75683.3	34324.81	66351.15	70765.3	47898.85	72847.31	47378.32	56898.24	30355.52	45360.39	33179.07	41805.15	26925.49	37241.41	40568.42	23553.52	30529.01	52514.31	17984.7	26335.76
l-Histidinol phosphate	40339.15	36991.73	32739.37	39410.32	43405.14	135322.65	79006.87	80283.31	81469.37	69883.2	74951.35	89517.84	133538.83	58487.14	106318.38	98806.32	75516.26	46610.04	55137.1	65111.85	36302.76	55229.39	48210.86	67961.08	154806.4
3-Oxotetradecanoic acid	2821.29	2697.05	3342.79	3892.38	1868.27	2424.35	2156.07	2424.76	1545.0	3370.67	2584.66	4266.83	2594.54	2299.91	1597.49	5151.11	3598.57	1977.89	3639.74	5493.25	4068.07	4213.59	3747.71	4351.21	5091.37
2-Oxonioacetate	147152.04	158034.75	117720.93	112920.52	130547.42	95549.01	138132.49	76059.53	111274.02	108020.12	69865.84	93342.58	101149.71	112110.22	107078.2	90209.69	148681.26	147788.37	103168.11	102635.57	153095.85	130479.91	112397.62	89143.57	68206.03
3-dehydro-D-glucose-6-phosphate	545089.67	560841.26	551186.45	537022.75	529309.09	540902.22	556695.39	553881.73	552109.5	531511.07	624223.91	578277.74	554793.41	605404.95	523133.12	554242.48	576020.8	588365.38	499354.2	574941.75	593065.89	502011.3	597843.33	577937.47	545553.22
lipoyl-AMP	7939.98	5508.74	6217.02	5178.82	5207.14	4328.76	4227.68	4553.23	5812.96	4131.51	6755.1	5935.98	7041.28	3090.95	7243.84	6369.3	7698.77	4599.79	3181.99	8594.64	8172.39	4687.2	4926.48	10327.84	7036.97
4-Hydroperoxy-2-nonenal	30586.05	30048.89	27990.94	31930.38	28185.76	33568.49	31112.87	52401.2	32493.69	39720.52	32953.8	34590.41	25389.17	42133.16	31703.9	46126.54	44776.45	60995.67	56702.94	39682.17	34415.46	28044.68	58041.51	47172.64	46826.45
1-alpha-D-galactosyl-sn-glycerol 3-phosphate	127873.91	116257.76	104682.19	130836.31	89089.42	83826.15	68843.96	3793.0	65850.31	83416.07	26973.57	56281.55	65136.56	49404.17	41781.37	57745.63	57348.51	70948.81	40766.92	36565.78	50375.18	75193.27	41498.96	37871.8	61736.38
"Methanimidamide, N'-(1,6-dihydro-6-oxo-2-pyridinyl)-N,N-dipropyl-"	32972.01	34793.95	8917.14	21799.82	18329.89	30282.47	38873.65	66034.46	49251.66	51700.05	60172.97	48187.55	46951.35	29115.95	44606.05	43983.04	54144.49	53976.22	42776.03	66660.56	28615.22	41581.78	42445.18	52207.65	51710.64
"(1aS)-6-Methoxy-8aalpha-hydroxy-5-methyl-8alpha-[(carbamoyloxy)methyl]-1,1aalpha,2,8,8a,8balpha-hexahydroazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione"	2885.45	2538.0	3399.11	3224.93	4678.81	6764.58	2884.33	4350.96	3939.69	6043.97	7643.64	3945.94	1535.42	2097.63	1818.64	3153.87	3762.65	3626.44	3096.73	6665.9	1367.72	4058.78	4112.82	4991.82	3004.54
Apo-4'-lycopenal	11317.6	3475.32	10690.39	4064.99	5624.72	2726.86	10976.18	11256.37	12155.7	8902.6	8998.91	11678.23	10503.15	13184.39	11040.96	14830.14	7156.18	6744.0	9028.73	6179.54	4560.05	12944.32	9058.75	15028.38	15954.93
Homodolicholide	65613.12	2625.72	12187.83	66923.49	50145.56	95343.28	48350.28	45145.97	50251.32	60500.0	92599.07	86487.2	46973.29	160977.72	65866.22	60475.25	110003.89	122732.31	195784.82	72597.64	61859.72	144475.45	56669.19	48654.85	74342.81
"{[(2R,3S,4R,5S)-3,4,5,6-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy}phosphonic acid"	9972.13	15220.2	2699.98	3429.83	3912.93	15310.63	10031.15	11281.42	6900.49	13691.26	3312.44	3880.04	5893.37	3718.05	1522.54	4525.52	13285.38	15077.67	9665.09	10414.09	3771.77	4928.2	1660.25	2857.67	842.69
5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid	24811.23	1590.82	20417.39	18271.91	20052.95	12499.9	24448.39	28497.97	9962.08	4698.07	25321.64	21908.59	28676.93	32479.21	27422.97	28097.59	29850.59	30564.74	30835.09	29390.67	34297.98	29157.29	25482.4	32574.92	33998.03
"1-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)-1H-pyrrole-2,5-dione"	4874.11	2109.98	642.77	3015.66	2971.48	1420.15	3270.72	6185.49	8832.45	6760.98	4306.74	1413.53	2854.38	3104.37	1429.14	2732.48	4730.58	3999.27	4080.62	3355.63	1837.14	1709.0	1718.32	1948.52	916.69
"[4-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxy-6-methoxyphenyl]oxidanesulfonic acid"	8793.13	9942.21	11928.1	11530.86	18910.26	10837.85	22379.25	10361.6	16733.2	10409.76	18677.95	12128.33	9106.83	9371.35	9582.16	8133.75	8392.93	11401.59	8966.15	4758.21	6350.93	5752.66	7938.59	6305.99	8030.63
9-O-acetylneuraminic acid	16063.25	14459.51	17251.41	10663.65	16211.42	12385.52	10342.06	12144.87	12091.21	10206.43	7596.51	20139.84	13967.82	20668.26	17959.66	6235.56	18546.91	11711.55	9462.69	12360.92	11664.3	15144.09	14373.56	11084.27	15001.61
Salicin 6-phosphate	2571.53	2867.49	3680.46	3061.39	3260.07	3146.09	2858.7	4029.27	7054.43	9366.88	6643.12	3508.6	5254.43	6281.84	3199.45	11551.34	7133.08	3856.09	1920.14	3794.7	3973.59	3892.04	4325.31	4939.16	4200.71
N-(6-Oxo-6H-benzo(c)chromen-2-yl)methanesulfonamide	220788.43	284510.57	266359.07	298434.67	213413.86	223696.93	36661.68	300473.55	247104.39	247721.61	349901.58	340197.16	302405.65	377270.01	362330.33	424049.29	350803.88	44892.03	341663.09	359300.84	360998.44	338877.03	342680.65	360242.45	345362.33
Dipentyl phthalate	20454.57	24411.01	16892.53	24647.89	24727.44	32493.38	33487.52	34534.47	42638.67	43143.83	34969.6	31106.27	31321.91	28953.79	36503.28	39418.32	34472.89	36227.67	42219.25	53991.4	40261.03	39535.51	47514.12	44079.05	36146.74
Oxaloglutarate	116482.69	122493.21	120319.37	118232.42	122306.17	126958.92	192575.43	132293.52	132963.7	134543.97	156206.74	141573.54	132490.36	139270.13	140965.1	145035.08	133027.44	209483.63	141369.38	139000.14	148792.75	146074.4	135116.14	148513.02	143749.91
Mefluidide	15075.55	11744.78	15432.0	15299.6	17520.45	13356.28	16380.38	15062.06	12166.75	13743.87	17373.35	18234.27	13808.8	14627.85	18720.13	22122.04	20715.54	20610.01	16936.36	18626.01	17229.9	14744.8	11543.78	14405.1	14993.64
3-hydroxyhexanoyl carnitine	3036.94	3385.86	1911.88	920.47	1939.97	5775.17	1494.51	3845.57	4994.35	6533.65	6405.79	2662.05	1081.56	1786.37	1085.35	2490.19	3256.5	2562.37	2927.2	4841.18	2185.96	2608.86	3491.64	4270.55	2060.08
Luteoskyrin	253699.01	217788.56	228286.38	240649.5	220169.52	143593.77	195236.47	179034.31	176654.79	196141.37	292506.78	275647.88	271786.24	283569.44	244186.23	300157.54	304676.92	246830.72	239965.53	244094.8	294805.62	325577.7	281643.28	297289.03	248896.47
Didemethylchlorpromazine	4011.97	2095.68	1235.41	1615.01	1524.17	3866.74	10028.14	2305.54	4589.92	6234.97	3758.2	1378.65	6590.97	1434.13	5228.25	5005.0	2229.76	9501.15	3410.54	8847.98	4657.92	3345.55	3305.35	2754.13	4827.03
Ethylhexyl salicylate	1202.5	2874.3	1129.54	1868.53	1222.32	4143.09	1580.05	4089.69	4882.29	6464.05	5890.4	3064.07	1516.14	1654.87	3024.5	1671.43	1914.73	2855.96	3011.7	5528.86	1641.24	4253.24	4096.8	2641.28	1618.11
Linopirdine	1953.5	4230.36	2971.19	1103.18	2484.89	4003.6	2866.42	3652.3	4279.54	3985.82	1126.54	1110.91	507.98	1301.87	2936.73	2603.86	3778.96	3684.72	3960.79	3634.29	3959.78	2466.51	923.73	3362.73	2697.18
(4-Amino-2-methylpyrimidin-5-YL)methyl dihydrogen phosphate	2009.98	1214.95	1159.18	2487.83	1333.52	2826.23	2867.13	8415.2	7854.39	12903.39	861.93	530.93	3649.91	6030.98	623.22	11130.6	4559.93	1407.31	2755.25	6754.58	1070.92	2867.81	3122.42	1566.44	2733.69
"2-(2,3-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one"	9900.83	9218.06	8177.63	10025.57	10839.93	9610.9	15732.02	6897.48	9155.78	8573.26	8977.61	9664.67	9506.19	11342.9	10216.79	9661.0	7406.22	15773.38	14852.35	6036.1	4846.2	4359.63	6367.82	9957.13	9122.5
(2S)-2-amino-3-oxo-4-(phosphonooxy)butanoic acid	160604.28	219270.97	191531.21	190323.48	156240.5	170573.88	329385.54	257320.05	200006.12	182997.93	284766.97	243627.17	195616.77	262593.2	193215.17	231566.39	204874.07	353580.66	218472.87	177055.61	230077.9	233521.91	201374.34	242457.14	221046.26
2-dehydropantoate	3813.9	3401.93	2830.93	1375.98	2116.19	8110.06	14371.96	15961.78	3444.62	6254.53	4432.42	5897.66	568.22	26090.62	1910.48	47034.26	8347.38	383.37	2205.52	1484.22	2347.21	731.15	2764.72	13285.83	359.6
dTDP-L-rhamnose	41162.02	36163.19	39015.34	48294.79	50195.59	48026.57	40899.51	41950.73	43105.12	48597.87	73951.82	86420.89	74316.09	79209.42	68988.14	82618.1	70892.26	62865.66	55157.29	49016.62	32516.61	70464.68	49217.35	70595.72	63176.6
"6-({8-[2-(acetyloxy)propan-2-yl]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid"	30207.54	32327.29	30642.77	37460.85	31549.83	32993.74	28176.31	32812.84	33774.56	34281.09	36557.13	38125.91	40810.25	42989.1	40278.18	40602.48	38428.63	41074.42	41917.63	42464.95	45005.64	44514.06	41356.75	41704.17	39544.33
"3-(3,5-dihydroxyphenyl)-1-(2,3,4,6-tetrahydroxyphenyl)propane-1,2-dione"	6777.06	4861.11	3453.74	6150.84	2247.12	3033.57	11163.14	6854.04	8617.07	5663.9	4797.74	6206.99	8662.51	6989.83	7026.74	5473.44	5220.36	7769.88	7420.16	8614.66	4201.7	6071.07	4998.4	5220.28	2756.49
D-Mannonic acid	11427.4	13805.56	10511.0	13835.48	11191.59	12473.15	13172.78	13416.02	16601.03	13847.13	12254.34	11707.1	7678.3	11345.41	20199.73	13954.98	14658.97	16988.53	25735.05	12403.87	5668.73	12390.3	7167.33	15060.84	21278.78
5-hydroxy-6-[(E)-2-methoxyethenyl]-7-methyl-2H-chromen-2-one	5716.77	3854.5	3873.22	7879.19	5391.32	4464.92	3227.0	1202.57	865.02	1774.0	1607.56	2992.02	2848.8	415.71	3498.42	500.09	472.26	908.33	531.36	2026.01	1057.96	2807.79	2177.09	1247.2	3647.94
Ethyl butylacetylaminopropionate	65521.44	53552.64	51174.42	62881.41	50449.27	93321.38	50792.01	60292.43	65525.31	91285.11	83176.34	63371.01	47324.81	41804.6	43389.58	52582.2	51614.47	48254.17	47966.99	72790.32	39039.0	48868.19	82724.6	63876.21	51943.88
"3,5,7-Trihydroxy-2-(1-hydroxy-3-methoxy-4-oxocyclohexyl)-6-methoxychromen-4-one"	8539.43	12194.29	14537.73	14917.52	15860.54	12921.73	13983.8	16032.49	1941.68	13496.82	14529.92	16572.99	5076.45	17041.44	15764.43	18588.39	17002.99	12197.33	16447.89	17749.73	17852.26	18576.46	17867.59	16103.56	17963.09
"2-[(1S)-2,2,3-Trimethyl-4-oxocyclopentyl]acetic acid"	30811.56	28224.12	30708.59	29774.32	28942.39	58580.84	28745.51	20378.96	42372.66	48661.44	40149.69	25445.01	29719.54	20781.3	19895.71	24147.48	15506.15	20718.11	28600.97	39479.7	19768.13	27862.97	37944.56	25699.6	19268.86
3-Hydroxy-5Z-octenyl acetate	2403.59	9143.01	5993.66	2278.4	3496.19	7621.22	6339.94	2373.1	1409.59	4786.69	1296.28	1093.49	571.17	5458.56	3070.72	5284.36	538.3	5081.84	1127.54	3017.13	2206.27	1606.87	1138.57	2501.86	1075.97
(-)-Threo-isodihomocitric acid	92745.94	99190.88	98207.14	95574.09	93376.95	104886.41	155335.5	100152.88	102445.25	107980.67	110928.83	102424.03	98784.07	100318.53	99248.33	100392.96	96040.63	160398.01	100629.61	97493.64	100297.04	105379.54	99655.95	106024.09	105271.26
Daphniphylline	2241.03	1475.29	1712.61	1997.34	1787.4	5870.05	920.09	899.76	1727.54	3746.96	2737.2	644.57	806.85	2026.61	873.25	1602.4	887.74	1530.26	1344.34	1453.02	968.27	845.39	2512.3	1723.5	2142.7
"2-[(2,3,4,5-Tetrahydroxybenzoyl)amino]acetic acid"	185284.54	195182.45	158828.54	173907.11	174265.82	586985.87	445752.13	317549.47	277712.61	267061.12	311556.87	350529.34	598985.12	281656.11	495027.35	432701.14	353555.64	13599.68	257057.97	322678.3	170454.22	300515.81	204646.45	350782.53	711316.48
"{4,5-dihydroxy-6-[5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]oxan-3-yl}oxidanesulfonic acid"	4166.3	3100.43	3967.7	5046.34	6288.82	3752.65	2522.68	4334.84	2907.96	2099.33	2834.57	2120.51	3204.73	2011.16	3990.37	3440.77	714.47	2455.23	2163.06	3205.65	2704.3	4663.0	2709.89	969.46	1779.02
CoM-S-S-CoB	54389.42	48729.39	57899.53	56190.65	58743.31	56044.38	54971.86	60667.87	59921.17	63755.47	70862.67	68039.25	57986.32	62297.32	57804.31	61800.33	60265.47	70310.22	51054.38	67631.74	53100.79	62261.84	64455.5	57798.62	54531.6
"2,22-Dideoxy-3-dehydroecdysone"	6803.8	6618.0	7120.61	9601.93	6010.48	6925.89	6175.68	7871.14	6642.88	7834.38	7069.47	6828.89	6259.45	6884.25	7335.12	6571.57	8324.32	4985.01	7998.85	7307.54	8647.21	7158.4	6278.57	7410.06	7852.82
"1-hydroxy-2-[6-(2-methylbut-3-en-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate"	7590.85	6955.19	9841.4	9529.93	10211.5	9070.25	10110.39	9991.01	9503.65	9294.44	8893.84	11085.76	11548.59	11985.42	11783.38	14982.18	12106.87	13630.83	13323.85	13219.88	15647.94	13882.14	12629.49	14839.91	14224.19
"methyl {2-[(1R)-1-(3,4-dimethoxyphenyl)-4-oxocyclohex-2-en-1-yl]ethyl}methylcarbamate"	20487.53	16970.81	19227.74	24163.31	18082.87	30552.07	20161.84	11853.88	24598.15	29865.35	30083.02	21611.13	19830.39	16783.66	19494.51	23930.89	24493.73	22813.12	23902.18	26691.76	18438.86	23938.4	33626.44	23675.28	21015.89
"8-Hydroxy-5,6-octadienoic acid"	6667.68	3907.66	7019.45	5817.01	5424.69	14347.57	4413.96	3789.59	9264.0	11355.13	7560.96	2755.13	5091.5	3042.99	2297.56	2377.65	3650.69	2815.24	2520.45	7543.85	3401.12	2946.15	5414.94	4950.63	2437.05
"1H,10H-Pyrrolo(1,2-c)purine-9,10,10-triol, 2-amino-3a,4,5,6,8,9-hexahydro-5-hydroxy-4-(hydroxymethyl)-6-imino-, 9-(hydrogen sulfate), (3aS,4R,9R,10aS)-"	42090.99	38775.51	35269.84	37866.68	36366.61	53810.27	36554.27	40647.78	46655.71	47584.42	49599.67	38729.91	34708.9	35994.2	35958.17	38113.5	37889.3	41014.0	34778.17	50050.34	36593.48	39718.7	53125.91	42708.67	35857.83
"Bis(3-azidopyridinium)-1,10-decane perchlorate"	6950.61	18864.56	13851.77	11167.44	10232.05	19408.28	20837.98	19630.14	20234.81	15828.27	15592.35	16267.98	6714.24	10589.73	15267.73	13010.29	15461.57	19719.0	16973.73	16411.64	12070.11	11799.54	5336.12	14182.23	8754.6
"(2-{3-[3-(3,4-dihydroxyphenyl)propanoyl]-2,4,6-trihydroxyphenyl}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxidanesulfonic acid"	6979.41	7557.7	6865.69	6817.53	5605.41	8807.11	8274.21	8605.22	8284.92	10807.28	13142.34	10848.75	10727.97	7182.03	16603.46	6970.73	9583.72	10291.71	8285.42	11337.3	18563.07	9579.53	11993.95	12172.69	10309.63
Geranyl phosphate	977.46	1477.93	1824.59	1027.39	278.49	1903.88	2401.25	2811.27	309.72	2966.44	1943.02	854.9	490.64	16103.81	311.89	22157.81	12370.56	5024.19	862.07	1373.44	4359.41	510.14	872.25	12353.15	650.96
"2-(6-{2,4-dihydroxy-3-[(1E)-3-methylbut-1-en-1-yl]benzoyl}-5-(2,4-dihydroxyphenyl)-5-hydroxy-3-methylcyclohex-2-en-1-yl)benzene-1,3-diol"	6907.45	10839.3	9306.61	7558.74	9204.81	13106.3	15452.68	15070.04	13832.53	10468.87	7536.49	8256.36	5647.69	7189.22	13684.8	11890.95	10020.83	12687.51	14795.09	14504.0	10712.84	8113.41	7637.52	9883.91	7374.54
7-Mercaptoheptanoylthreonine	21876.98	21725.67	18753.74	25541.95	18899.41	33017.79	20728.74	23801.88	31914.03	39104.44	38807.06	17982.11	17462.92	16206.85	15411.01	19759.37	17978.93	19285.39	18362.24	30759.73	13660.66	20576.54	31185.06	18037.47	16136.26
"(1S,4aS,11R,12R,12aR)-3-carbamoyl-1-(dimethylazaniumyl)-4a,7,11,12-tetrahydroxy-11-methyl-4,5,6-trioxo-1,4,4a,5,6,11,12,12a-octahydrotetracen-2-olate"	6327.52	6836.2	3578.84	6670.85	7201.15	4775.96	5254.61	5366.28	5414.06	5703.31	4816.17	4017.67	4839.34	4753.44	5420.71	4397.22	5431.21	5398.12	5358.83	4509.23	5825.38	5909.93	4562.01	6008.31	6390.34
"cyanidin 3,5-di-O-beta-D-glucoside"	15527.95	16110.76	17665.91	20051.51	14475.26	14171.55	22249.67	21518.82	18616.97	16670.87	21829.03	21147.03	5663.28	19096.17	20231.45	20165.88	23066.04	25338.49	22879.99	24577.69	25191.23	25647.27	22907.15	22189.25	32749.28
4-Oxohex-2-enedioate	4738.96	8526.4	5580.84	9712.98	4011.26	6513.02	5370.79	7130.7	4012.76	3096.25	4513.83	5627.04	3528.12	6038.57	9397.6	4539.05	1882.8	4574.61	1021.02	2824.38	2136.88	3105.6	6218.75	5268.81	1986.28
"GDP-4-amino-4,6-dideoxy-alpha-D-mannose"	7921.3	59239.53	15397.5	26845.66	12402.6	9993.19	21572.72	6045.44	19982.45	13170.73	11631.12	10011.8	8612.99	9844.31	33299.65	8305.16	10431.73	13459.25	19072.5	19338.54	47973.79	5482.32	46247.9	9657.94	20569.58
"{3-[2,3-dioxo-3-(2,3,4,6-tetrahydroxyphenyl)propyl]-2,6-dihydroxyphenyl}oxidanesulfonic acid"	9925.38	18775.8	12853.35	14173.42	11949.27	10752.65	31611.4	14472.08	4205.82	2795.37	18401.47	11319.4	7115.15	8671.68	6838.83	7118.79	5547.25	19889.53	5979.38	3218.13	10720.1	7686.62	20186.45	2856.45	1228.7
"2-(3,4-Dihydroxybenzoyloxy)-4,6-dihydroxybenzoic acid"	12051.94	15639.86	8273.75	12636.84	16214.77	12683.9	9049.26	13619.8	10552.95	7255.38	17587.52	28442.92	13617.55	18691.24	25269.56	15757.15	27306.46	55029.5	7281.87	22273.24	20434.58	26401.03	22980.87	18874.6	26225.31
11-Hydroxyiridodial glucoside pentaacetate	2066.4	2419.28	1308.5	1106.39	1939.71	1179.46	1565.63	1516.68	8441.21	1771.43	664.63	1053.91	1255.9	1315.34	964.86	1741.03	1846.36	1208.24	1374.28	1940.7	1875.91	2208.82	789.98	1064.06	992.14
"2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2-hydroxy-3-oxopropyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid"	2592.82	2478.14	4218.62	1503.8	3058.43	6125.49	6526.98	6512.55	5371.82	7521.57	4094.64	641.06	505.46	21390.63	3889.97	28425.36	23444.83	13050.34	4642.67	3500.67	7408.36	1125.07	1057.44	14949.18	1356.2
Lansic acid	430720.9	918320.75	392168.76	180390.54	218798.26	710538.32	919893.04	821262.13	1089641.55	812778.36	670546.7	763596.84	769467.14	720919.65	1621807.83	661499.42	709828.44	434768.2	350462.72	576432.58	508670.31	821287.76	706285.68	753022.57	813543.98
"2,3-Dihydroxybenzoyl 5'-adenylate"	13958.82	16424.86	10707.27	17156.71	18396.92	12005.31	17398.14	14288.63	20913.14	19993.75	15506.75	15358.38	9553.45	16542.0	17221.69	21511.73	17842.69	9718.01	17183.36	10769.28	13385.84	15937.28	12412.95	13116.97	11882.42
2-Bromoacetaldehyde	5871.24	9355.11	4055.43	5491.07	6526.48	17147.74	4236.56	4375.06	6097.27	6778.29	11200.05	6301.72	7201.19	7554.77	6129.27	6775.64	5109.87	7008.77	4905.71	5555.6	4672.0	6565.41	5553.39	5572.48	7190.26
cis-Resveratrol 4'-O-glucuronide	7428.29	4700.37	5527.62	7366.62	6042.41	8154.57	8570.6	10130.3	9235.75	10105.45	9598.84	4542.44	7567.63	6059.95	8422.4	7790.29	10910.91	9351.48	8606.06	9288.3	6800.46	9034.76	8154.36	9843.71	8774.33
"Tetrahydro-2,5-furan-diacetic acid"	98803.66	110759.07	107208.24	83337.76	100528.3	79865.56	128165.59	67983.8	70437.95	70528.19	92743.07	98651.63	70377.85	93597.99	101677.21	59105.98	78299.17	79913.7	82092.71	56397.19	112043.13	103916.08	110893.98	28121.6	37239.5
1-Stearoylglycerophosphoserine	258843.07	261559.36	373928.43	323963.34	1276052.03	369241.85	120299.01	172816.58	153562.08	315806.88	249537.58	217795.8	146402.62	186976.97	143914.07	153662.47	75010.08	115066.57	74280.81	221124.01	64302.71	236180.39	82603.52	171045.4	111342.8
"3,4,5-trihydroxy-6-{[7-methoxy-2-oxo-6-(3-oxobut-1-en-1-yl)-2H-chromen-5-yl]oxy}oxane-2-carboxylic acid"	18221.35	23981.89	17146.05	17358.33	22623.81	10529.88	21647.4	10481.71	18545.0	15608.18	9445.04	8646.8	10690.77	23916.61	16593.89	10045.73	16774.38	19220.48	5107.94	12585.38	10479.16	10418.8	13106.85	8053.99	8490.55
2-(S-Glutathionyl)acetyl glutathione	14012.79	13640.45	13230.13	14919.16	11355.76	19588.18	27257.82	17970.25	16445.13	17169.07	23070.01	23421.44	27853.89	23014.4	27532.26	35404.74	22119.82	21026.98	15492.79	23019.39	12872.55	27087.95	17005.1	26072.81	36118.06
Tetracenomycin B2	4063.37	2229.8	2372.04	5184.56	3653.57	2519.47	2146.08	1654.82	1233.61	1915.01	1410.72	2013.95	2577.39	700.24	1956.99	1014.66	930.27	1794.1	1369.05	1038.1	556.29	543.62	1236.62	2495.28	833.33
3-Dehydro-2-deoxyecdysone	4579.59	5290.03	4676.4	860.66	5192.04	5843.44	11372.47	2502.21	5656.08	6505.49	6081.93	8139.71	8875.59	7032.28	5797.4	6378.25	5344.35	11571.74	6679.1	7481.68	5379.96	5997.55	5475.43	6204.25	2733.63
glycitein 4'-O-glucuronide	62774.44	63191.57	65289.2	69511.76	69411.92	64352.79	76740.51	73666.43	73538.9	67689.1	74014.6	81305.53	81372.83	76883.88	76143.56	79885.79	74703.2	83271.3	78899.71	81111.04	79190.45	82122.59	75845.59	71455.53	70067.9
Phosphoramide mustard	137036.52	143262.53	144698.17	134761.66	127175.91	139154.94	137425.67	135896.45	127122.75	132697.65	155675.62	154261.13	149719.52	169094.93	32830.38	131786.05	147350.7	141419.98	86648.84	136021.31	156806.18	121967.74	150816.17	143839.73	128712.82
Kaempferol 3-(2''-acetylrhamnoside)	4356.8	3203.37	3012.66	2892.99	2930.83	3374.01	1700.92	612.46	2841.15	1978.6	2369.99	6581.32	1952.32	528.0	2375.17	1925.36	3751.38	2379.27	3538.3	2652.74	1452.51	3283.86	2530.87	2321.01	3537.73
"methyl (1S,4S,5R,9S,10R,13S,14S)-14-acetyloxy-5-formyl-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylate"	52388.63	51388.47	53629.75	46544.56	48689.61	37318.47	45304.57	42498.93	48204.42	45854.17	38353.39	37906.7	34294.09	36686.87	27521.24	45794.24	37635.01	39707.16	37705.37	58753.64	54997.45	44459.3	49373.18	43557.78	28760.79
"Benzo[a]pyrene-7,8-oxide"	19286.73	14628.94	17045.59	16511.22	15801.29	13899.55	20672.73	19064.1	20962.92	17747.07	23844.35	23472.96	25731.47	28927.72	25251.74	26987.34	28261.16	29896.23	32453.65	31058.32	28526.29	30513.1	23406.79	29263.49	32192.29
"17beta-Methylestra-1,3,5(10)-trien-3-ol"	32227.88	50231.95	42329.3	58381.77	28141.92	75132.35	49034.67	52442.02	67130.76	66778.56	48548.36	33501.32	43630.5	38347.07	39430.42	49895.8	48234.24	50894.85	46318.06	62853.13	39231.55	49423.12	91483.61	61140.16	47995.55
"2-({hydroxy[2,4,5-trihydroxy-3-(3,4,5-trihydroxybenzoyloxy)phenyl]methylidene}amino)acetic acid"	18701.09	17612.27	17032.25	9101.25	12737.28	12582.69	12965.45	24730.33	19282.71	19348.1	34235.36	26162.7	18742.32	28510.31	23203.61	27458.32	28759.9	10272.49	20186.62	28556.45	25470.58	33113.81	21200.46	26595.47	23862.56
LPE(22:5/0:0)	196636.33	171302.89	160343.42	140517.42	149070.15	134382.3	142253.86	142073.3	106481.8	100704.06	87696.1	106871.31	83950.39	90731.19	66965.33	83579.1	80249.1	88926.97	88726.97	74903.47	63089.58	109754.32	65043.87	79914.58	73383.3
Ser-Val-Asn-Glu	845.84	3022.71	4676.0	2318.89	3302.73	4991.76	6671.06	4709.34	3456.68	7282.08	4639.85	1203.76	763.88	11379.62	6286.4	8749.46	12317.48	8217.35	2857.06	1962.74	5898.57	1241.15	1858.46	7685.22	1212.21
Thr-Gln-Glu-Asp	625.06	1308.82	3760.91	2047.09	2142.87	5681.75	9052.93	4590.15	1791.19	8538.21	4331.8	1868.22	825.18	26950.03	4151.09	43010.73	19257.46	8594.15	3340.88	3361.28	8053.9	379.75	1713.39	21591.96	958.87
Fuc1-2Gal1-4GlcNAcSp	57528.15	108754.06	75946.59	70902.91	62528.6	100086.79	62832.49	83613.86	63955.14	73412.56	33458.62	39975.97	38997.85	36795.92	43462.31	63022.15	128215.0	64631.26	51236.47	46215.69	45593.21	60109.29	189955.24	50959.95	53922.11
Arg-Thr-Ile-Glu	3482.71	8362.51	13490.37	7913.96	13746.12	18173.82	17704.03	12872.73	10857.72	18901.32	12863.93	5217.71	1676.73	19752.23	9712.55	17278.18	20399.85	14084.25	2668.76	4222.15	8418.47	2217.22	844.9	12466.02	1148.64
Malyngamide C acetate	4540.74	5508.16	9162.26	3804.6	11795.43	10598.55	17421.57	27087.86	14561.62	19062.36	6094.48	3994.33	1849.45	31549.17	3525.26	70880.45	31855.92	21811.2	2536.38	4459.88	15111.6	1195.01	1244.96	33897.23	1027.84
Lys-Gln-Ile-Glu	721.57	4105.04	901.97	1373.69	8476.53	9812.18	4281.33	12900.46	16542.84	22142.94	6702.46	2140.25	722.02	18277.83	3381.75	1305.45	5647.1	996.99	5204.36	940.27	3928.03	6975.63	601.72	5818.26	4620.01
Val-Gln-Ile-Asp	42414.16	73407.25	49328.25	45128.9	44487.46	37223.35	45631.06	39038.14	40037.12	49016.53	36725.27	29670.83	17437.36	39397.35	29364.92	30457.6	43963.06	49515.4	29764.55	30125.92	27016.47	22499.13	25791.57	24867.5	17971.97
Ile-Tyr-Arg-Glu	5724.58	5331.67	6389.59	4724.4	5023.24	4863.11	2227.73	6391.5	1835.76	5589.51	4811.21	5171.49	4730.35	4446.71	4219.99	5138.67	3407.81	1884.72	4940.84	2948.95	3782.29	4172.96	2746.43	2478.19	3248.68
Estradiol-17 3-sulfate	320537.14	282767.48	272229.52	281292.57	348909.16	236998.04	210611.81	326063.9	338599.84	281443.98	260061.99	244892.91	220055.82	248441.94	294672.25	250001.94	278412.83	229206.14	322995.68	315960.66	248628.62	340898.94	225317.63	251662.01	510669.58
Asn-Tyr-Glu-Asp	856.44	893.21	773.28	884.95	1074.47	1922.75	3738.47	2584.93	1660.02	4676.31	1609.29	1036.46	649.44	8295.0	1740.59	13162.06	5700.47	3948.06	916.79	573.83	1729.02	345.07	373.51	3860.49	475.71
Val-Glu-Phe-Asp	1106.56	1079.39	2674.69	2200.27	2291.87	5822.05	5424.02	5369.81	2683.73	6237.83	2243.17	881.98	547.99	17775.39	3449.06	25112.86	13980.65	7360.87	3202.32	3160.55	5806.28	864.44	846.76	11347.98	693.47
Tyr-Gln-Asn-Glu	7775.75	9438.54	5934.39	5857.83	7083.5	4125.27	3669.96	2494.43	7641.86	6709.32	3921.81	4311.44	3232.18	5967.33	5121.47	5449.42	5655.66	7780.42	8226.65	2312.17	4163.78	3878.02	3666.83	9943.82	10836.37
Ile-Phe-Arg-Lys	9110.87	9451.61	6839.99	15036.4	11916.32	15591.69	14647.09	27213.8	28423.92	31280.8	22597.05	12529.39	10945.67	8092.67	12297.93	11077.63	14898.24	14267.73	13839.5	24014.83	5249.38	17809.6	17976.16	15971.4	9786.38
Prostaglandin F2 Ethanolamide-d4	577.38	1643.58	1048.38	1687.49	971.7	4130.63	3230.43	2116.89	2712.06	2413.28	1144.48	2878.6	1632.98	1219.73	2990.38	827.6	1146.56	721.51	1503.45	753.87	1813.76	497.68	540.75	927.16	781.77
"3alpha,4,7,7alpha-Tetrahydro-4-hydroxy-1H-isoindole-1,3(2H)-dione"	18794.66	14429.47	49174.67	24826.29	14684.89	14389.65	14625.22	21458.14	9994.04	17358.83	17005.34	11813.69	15577.16	21910.98	9589.51	24021.42	13852.43	23655.34	4868.97	13750.21	16455.33	15598.91	49881.9	10278.8	14615.04
Ile-Abu-OH	80561.12	17904.01	95781.98	542.04	105752.2	75276.76	30897.58	100707.8	35071.24	88910.04	96820.49	101973.01	77114.24	77208.32	69412.18	73802.81	63533.71	42933.65	98926.72	69370.11	76345.45	90475.79	92607.77	88111.94	86789.77
Carmamycin A	989.71	1290.81	6460.79	9023.74	37280.36	76331.04	37826.81	29879.24	32357.57	56397.2	14215.87	21821.93	3468.13	27007.39	22815.02	24359.03	11067.9	21440.86	20003.44	9003.29	4387.65	16768.74	4118.03	1914.5	18780.75
PG(16:0/18:1(9Z))[U]	6586.87	9455.2	7106.64	10204.69	18353.06	19999.7	23469.13	21755.66	26671.38	16427.85	23628.83	13320.42	8763.84	15868.81	28763.13	18408.72	22761.54	35991.08	28657.5	24406.02	22144.32	21232.01	27774.52	62433.07	92338.36
"5(Z),8(Z),11(Z)-Eicosatrienoic Acid-d6"	4486.03	3898.24	2551.13	4639.74	4305.16	3352.56	4148.32	4747.02	5009.16	2534.56	3035.31	4454.73	3367.53	3988.87	3894.18	2801.79	4253.81	3718.09	3695.97	2035.83	4428.49	3958.46	4746.54	4575.67	4597.31
Ala-Glu-Val-Asp	240.63	725.85	702.0	518.28	451.83	471.22	937.08	1466.14	347.86	648.56	675.41	779.55	542.16	279.3	281.92	216.36	273.72	1501.44	1040.86	1153.47	961.07	875.14	420.85	641.53	1091.09
"16,16,17,17,18,18-Hexadeuterio-20-hydroxyicosa-5,8,11,14-tetraenoic acid"	5060.23	4377.84	7740.49	1662.93	3344.79	6837.62	8936.31	9165.63	7081.56	11022.19	4174.13	2497.54	2321.52	14609.3	6028.18	23189.72	9124.92	7374.67	5141.68	7918.9	8039.61	3479.23	2863.15	10697.62	2368.34
"DODEC-2-ENE-8,10-DIYNOIC ACID ISOBUTYLAMIDE"	4659.44	2968.06	3793.43	4601.13	4176.84	4186.64	5275.65	4743.49	4272.14	6275.75	5019.01	3900.7	4586.61	3453.43	2189.5	2879.0	4119.12	4858.98	2341.34	3222.53	3006.51	2879.14	3418.46	4016.26	2689.88
Nap-HoPhe-OH	1884.33	3356.87	4592.86	2532.17	1368.8	10951.97	10913.66	13848.66	2974.18	13185.12	13398.07	1945.8	806.45	68534.3	8375.89	44890.04	36994.72	21497.03	10234.8	10096.14	16075.66	985.82	2400.12	31030.48	795.39
"10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-one"	19741.86	35135.55	24429.62	21274.09	22524.65	39563.22	42779.3	42070.87	37751.78	31071.57	22156.07	22515.6	13615.04	17035.34	29529.04	34372.79	29082.11	40319.79	37519.31	33826.2	30949.14	22435.87	21500.34	26972.12	18886.9
Histidinyl-Cysteine	5135.46	4019.0	4927.53	5219.08	4311.11	6189.64	3976.55	3777.02	4170.89	6955.53	6209.3	3534.35	1347.56	3814.73	3537.19	1507.15	4885.66	5364.44	3830.45	4934.45	820.39	3115.76	4896.12	6570.05	2533.7
"4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid-O-glucuronide"	146026.65	134536.49	134225.54	148837.71	113175.06	203860.81	139455.13	215096.92	171288.43	163877.91	158619.83	140654.93	115144.92	155710.5	150966.05	153288.78	195319.32	155672.38	142258.95	122475.93	70272.06	104797.34	71693.39	131891.85	135997.39
"(4-{7-[3,5-dimethoxy-4-(sulfooxy)phenyl]-6,11-dihydroxy-2,8-dioxatricyclo[7.3.1.0,(1)(3)]trideca-1(13),4,6,9,11-pentaen-3-ylidene}cyclohexa-2,5-dien-1-ylidene)oxidanium"	11133.2	9561.75	8915.16	6651.65	11707.35	16241.89	12145.33	12218.76	11754.52	14219.54	12465.64	10356.2	8269.21	8123.33	6195.82	10100.97	8617.87	9957.85	7986.42	10318.47	3670.3	7335.3	12142.8	11693.65	7657.37
UDP-L-Ara4O	4771.68	4505.35	3800.58	5238.8	4581.82	6384.58	5280.44	7401.88	4515.78	4804.42	9283.5	7087.38	9397.63	8110.55	7367.31	5338.38	8668.03	3453.0	7162.01	7306.5	6329.51	5779.44	4346.41	6654.8	2614.37
"2-[(1Z,3E)-5-carboxy-1-hydroxy-5-oxopenta-1,3-dienyl]benzoic acid"	11051.81	6101.73	7822.96	9529.26	10762.52	3098.5	15119.18	9948.74	7470.71	7445.67	12699.76	10675.56	12186.62	11375.4	11598.84	12494.2	13955.85	20486.72	13130.42	12686.92	12759.35	14837.69	9306.21	11955.8	13547.99
"(1S,4aS,7S,7aR)-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid"	655.1	1101.97	1684.08	879.42	1093.8	3006.84	4313.37	2506.37	2374.06	4391.68	1638.5	665.69	67072.43	11155.81	3100.29	13234.71	11106.15	5240.85	1762.45	1110.15	4631.88	671.92	805.71	8999.26	795.42
"(1R,7S,11S,13S,19S,20R,23R)-5,15,19,23-tetrahydroxy-13,20-dimethyl-8,12,21-trioxahexacyclo[17.2.2.02,18.04,16.06,14.07,11]tricosa-2(18),4,6(14),15-tetraene-3,9,17-trione"	27465.88	25892.78	7753.87	23280.74	26479.68	22847.08	16217.91	25377.75	26874.94	25074.58	20740.07	23452.77	18971.03	21242.15	23657.71	19875.09	23294.3	16694.95	22512.38	24311.01	21380.07	25797.74	16449.44	18792.5	30972.78
"[(1S,15R,17R,18S,19R)-18-acetyloxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-trien-17-yl] acetate"	6739.16	4828.7	5860.74	4976.13	6824.09	10228.36	4757.79	5991.95	7995.69	10357.77	9821.06	6241.52	2908.18	2713.7	3163.64	4969.02	4272.77	3441.11	4735.11	7712.1	3220.04	6142.98	8166.04	5932.52	3462.47
"Cis-8,11,14,17-Eicosatetraenoic acid"	6598175.71	6673162.42	7032018.88	5843113.54	7709668.96	5176837.19	5349395.74	5922053.01	5159732.33	4328101.2	4369762.86	5966054.31	6100068.85	4625938.39	4800100.49	5100441.29	3957033.46	4707825.76	5244528.51	5453518.53	3633493.27	7789693.14	4064975.8	5840599.41	7287767.57
Inosine	764708.27	616131.8	654055.36	645940.73	585997.93	428713.28	442356.11	506593.69	551205.05	743785.96	951434.12	887712.71	977804.01	934250.33	727350.7	844525.1	968274.71	896628.5	725639.08	983579.04	876966.15	971060.15	785249.68	1005547.83	926549.08
LPE(18:1/0:0)	44423.76	37291.74	40912.33	40797.16	43870.39	34737.36	38841.12	35726.37	36315.11	41219.65	31574.06	35293.84	28922.01	35367.15	27501.68	32205.0	28642.22	24079.27	15491.23	28248.47	20172.36	34817.6	23885.47	27792.14	24688.18
D-Glucose 6-Phosphate	114636.42	101470.56	68213.28	72030.22	83564.49	147606.03	130933.35	115050.37	118045.02	155334.04	91598.6	109528.47	129350.22	91831.58	43868.87	76760.37	109448.11	111556.07	80345.79	121263.39	99993.49	48149.56	57504.6	72973.0	53476.77
Pyroglutamic acid	172233.01	146867.73	171939.82	186744.12	201167.24	143297.33	155900.5	161464.89	201884.79	162528.42	121685.02	159799.56	112465.32	121713.49	102315.85	90536.17	83991.66	107358.69	105610.19	141549.67	119528.15	133984.9	143193.56	97698.89	86399.13
Nicotinic acid adenine dinucleotide	5291.61	4741.1	6349.81	7503.61	5367.66	3581.76	3219.57	3082.86	3285.57	3865.91	4276.81	5829.8	6191.84	4893.35	4934.16	4315.3	3293.02	3406.59	3358.09	2127.93	2744.47	3858.91	2831.95	3201.43	4233.66
FFA(18:1)	1005137.5	799824.47	930636.59	922154.88	1014568.77	777089.66	845848.39	744232.57	843258.84	773150.87	679814.56	1011984.15	780426.53	715805.56	585081.34	519775.94	585073.86	605589.4	593195.0	653859.78	625776.15	842125.57	577292.36	614956.49	696522.68
LPE(20:4/0:0)	146948.73	129586.99	132285.61	127754.32	132719.09	113550.53	110217.85	109449.1	118211.44	93765.16	40594.44	113827.34	57721.1	90288.02	75619.98	67846.81	71687.61	69389.33	69205.76	73772.09	57791.84	98534.32	51742.93	69634.67	74184.32
L-Aspartic acid	194814.36	153905.88	172178.93	192136.23	224819.69	111138.24	132460.17	178319.2	158484.81	151030.17	176677.05	206004.14	132379.58	158759.47	121655.18	145999.52	164109.44	156532.99	148073.57	130607.53	160019.7	187124.92	156878.82	129461.07	125391.65
Lactic acid	410679.59	338842.81	340562.07	353540.56	333678.09	411912.13	336994.19	402220.28	348894.54	377244.37	400690.14	374106.86	373757.65	424438.34	406734.43	404255.13	386907.99	355092.28	331886.83	374976.98	356208.69	418148.14	382420.36	374041.59	406941.41
Adrenic acid	529982.85	434449.94	378011.57	389750.32	426689.0	366580.3	425643.07	368399.67	322578.05	361556.32	315766.06	381820.34	344445.55	311499.44	253962.95	250128.93	238388.46	224980.51	219804.86	235218.15	216921.11	384374.78	248070.7	262911.89	354333.74
L-Threonine	10083.6	9508.98	8371.92	10864.36	11713.38	20989.92	16664.26	17794.93	19089.05	15095.84	9545.83	11639.96	14658.49	9014.79	16108.49	14379.93	14650.74	12158.8	13780.95	15229.42	8810.35	9639.83	7079.71	11539.96	19486.68
L-Serine	12003.79	12587.59	10765.29	11346.14	13289.59	16184.7	14297.38	12873.59	17289.79	15579.05	12046.66	17043.16	14730.42	13547.75	16780.65	15759.29	15506.63	15923.13	16807.52	13249.48	11974.7	14870.94	10960.58	15805.46	21215.44
Inositol	87691.42	78396.82	80993.91	92190.88	87488.39	70701.51	69534.99	64114.87	79688.17	84409.27	68992.91	72533.42	64282.17	66577.47	58893.43	65348.54	64001.79	66326.76	62670.09	71980.8	71490.37	81632.87	72966.26	63993.8	67269.88
2-Aminoethyl dihydrogen phosphate	68816.69	65866.79	59031.96	67432.12	66735.39	79265.26	68947.83	74909.26	63381.41	64285.68	70951.78	78908.53	85543.91	71138.79	79927.11	78928.27	74276.68	68549.72	58919.1	67721.56	61706.16	78891.3	59353.34	74779.38	91606.31
Guanosine-5'-monophosphate	35963.64	34298.29	39150.7	48769.15	40360.11	35564.91	25889.26	24263.37	22000.58	33172.82	51030.09	64940.08	60374.05	47424.1	40489.6	33209.67	45025.57	44942.66	31733.64	5925.74	13799.33	14756.99	18301.33	20643.87	23172.04
Adenosine monophosphate	103883.18	99949.86	121695.92	116249.49	101516.0	46511.24	37858.33	57719.99	50353.96	55487.67	98352.6	157489.29	128642.9	107529.05	52670.51	49159.68	122534.93	110369.72	78622.43	15593.05	21226.25	32591.95	23470.84	48989.05	51398.99
( )12-HETE	74306.44	71999.52	82761.43	58236.09	91224.13	77044.98	101224.91	132281.2	176399.99	125410.75	54565.39	88570.83	67398.21	131122.4	103895.78	94618.99	99185.86	140730.64	83599.48	71232.91	126563.22	75210.93	33157.62	91004.18	52742.97
Inosinic acid	35683.51	20320.87	42988.12	56166.26	47551.29	85208.8	68850.93	24535.67	36052.23	68900.67	47498.04	89530.51	89250.89	49863.33	88610.19	54346.66	28279.89	52680.7	25655.45	12704.59	21568.29	9865.03	26039.87	14627.73	15397.21
Acitretin	119636.09	124128.62	95821.68	138368.92	106954.31	132832.54	118606.52	116534.84	155617.31	195051.54	157288.23	172999.9	154139.44	127078.71	101829.05	106546.12	125866.51	107156.61	100440.18	144915.4	104129.71	117256.35	144378.66	128231.06	114684.43
Cytidine	4065.7	6422.47	5709.32	6015.54	4772.9	5786.42	4040.19	4537.27	5452.63	6054.56	7884.98	9621.94	8553.92	8081.22	6418.27	6848.52	8837.14	7505.86	6817.55	4370.72	4459.48	4152.88	4986.82	7585.0	6010.42
Pterostilbene	29971.68	36726.88	27568.3	37940.2	28578.0	37991.44	31022.04	37027.34	50498.1	51493.01	48816.6	46829.22	45613.03	48587.94	28976.52	31301.08	35208.48	32553.75	29730.2	42936.43	22479.46	30230.24	38028.87	32550.73	26436.53
L-Tyrosine	46448.58	42774.68	40543.69	38599.5	39174.87	33215.7	30926.63	39910.21	35983.6	35265.9	33494.97	39847.22	36564.24	34916.36	40960.92	40249.97	46132.85	38332.43	47614.03	29595.33	39360.91	46725.43	29370.62	38798.45	66762.41
Lapachol	30310.27	33122.63	22063.33	36985.59	27417.97	35781.09	30972.22	32639.87	43379.73	43138.27	47461.97	50436.66	38541.05	40091.1	25224.64	26271.78	30266.99	28250.35	27101.72	38440.07	21999.91	26060.14	38711.47	31111.7	25133.55
Uracil	30960.63	32944.36	30990.2	30600.12	34245.85	30715.12	30306.29	30202.05	30312.57	28652.2	25961.2	27738.34	25666.06	25791.79	24413.82	23037.23	19186.76	24051.6	19128.12	24645.15	21352.13	26597.44	26868.23	21473.03	26188.92
Glycerophospho-N-Arachidonoyl Ethanolamine	278556.56	237921.79	242081.86	257800.88	239079.88	212875.97	200481.75	212258.51	224814.09	212847.21	195640.71	369999.43	187383.35	185875.98	137754.51	125959.26	153028.42	133102.82	137785.92	139657.29	119553.38	183417.11	120336.03	143478.91	133056.16
Adenosine 5'-Diphosphate	14574.06	10650.61	7830.39	24923.95	7859.01	18956.95	14021.31	1497.93	1343.28	14079.39	27846.87	23462.64	23073.78	12796.24	9899.86	6403.38	6542.86	9743.05	2238.97	803.56	6267.79	969.63	9082.95	1092.3	1281.84
Canrenone	288731.03	306709.4	251652.17	360602.64	270650.02	401065.97	301355.99	334159.26	440867.71	527148.39	406232.6	392992.97	379279.25	339090.14	287793.6	262928.91	319131.72	296227.94	270296.63	430121.68	258765.66	294190.59	345424.16	338076.97	256128.33
"1,7-Bis(4-hydroxyphenyl)-3-heptanone"	58534.04	52688.2	43991.45	69873.69	46624.95	60014.59	50843.47	53548.4	84767.6	96973.68	76721.59	97154.07	62672.6	63383.66	47862.86	49878.13	53935.49	51058.15	54483.45	66699.09	48918.85	52019.99	67907.38	53793.07	49674.16
Orotidine	2842.96	2451.08	2426.39	2973.89	2709.63	2401.54	2400.98	1664.34	2509.98	2182.83	2977.24	6399.99	7408.4	5027.42	2960.21	3088.68	2697.25	2451.08	2031.39	1703.63	2273.91	2514.13	2744.15	2886.16	3648.28
"2-(((R)-2,3-Dihydroxypropyl)phosphoryloxy)-N,N,N-trimethylethanaminium"	27554.32	20433.92	21459.36	22940.75	19866.87	6780.28	7676.24	10896.19	9647.0	11591.85	14694.16	16997.96	14118.47	16319.72	5044.97	6392.67	13740.24	11819.01	8924.23	3383.59	4969.43	4475.85	5362.65	4372.91	4537.64
Adenosine-5'-Diphosphoglucose	2845.12	2425.94	2993.59	3324.06	2985.62	2633.33	2579.08	2729.43	2476.2	3303.89	4877.87	5880.85	5761.12	4591.97	4104.98	3564.78	4764.96	4443.45	3723.5	2528.69	3323.62	3686.41	3768.89	3884.54	4034.77
Uridine-5'-diphosphoglucuronic Acid (sodium salt hydrate)	2346.83	1648.81	2429.83	2659.87	2253.94	1761.85	2023.96	990.37	1795.87	2224.72	3125.3	4131.26	4698.61	3001.56	2537.0	3120.58	2772.84	3099.3	2138.52	1025.72	1647.9	2481.99	2074.03	2718.23	2916.33
Ribose-1-phosphate	24101.55	20580.76	20900.4	22204.11	21778.75	17425.63	14965.95	26664.4	19551.43	21993.26	25239.44	28306.69	28540.71	25198.98	21601.8	23268.34	27719.34	38010.2	24482.01	22381.24	20923.01	21663.3	18572.18	23108.98	22157.11
3-Hydroxyisovaleric acid	903.45	1570.6	564.81	737.95	1463.08	1534.03	1753.53	3589.38	3601.97	3901.07	1378.67	1515.41	1192.24	862.32	607.89	1556.3	1008.05	1956.21	1451.86	3517.52	1468.08	838.28	1612.5	1107.58	726.09
( )9-HpODE	14365.6	13929.85	12494.79	12398.94	13258.01	14632.9	13482.11	19609.41	19726.45	16366.84	11198.41	23755.23	22348.12	26162.07	10122.54	12720.57	13483.81	16270.61	14211.73	16805.73	7272.93	17933.87	12528.15	14800.1	13312.69
( )13-HpODE	34904.05	52039.13	33926.11	50668.22	45942.16	48500.99	64057.18	75195.77	56366.5	72994.23	76201.19	93434.22	102425.98	88578.75	59935.56	60565.94	65137.73	48028.46	51750.56	59071.84	50487.64	59585.68	74994.44	66088.34	52074.51
Diethyl hydrogen phosphate	1334.89	11426.1	3393.47	4410.95	3476.15	2262.16	1765.23	565.83	2931.15	2761.64	913.18	1352.06	1433.94	1580.52	2370.03	995.07	1357.7	1229.36	1056.73	2833.29	5627.72	1116.96	8201.14	1050.31	790.52
Caftaric acid	22566.42	37973.69	39260.28	29292.68	29085.1	47647.07	14050.47	27954.15	30539.0	56380.63	23009.5	54258.96	104795.28	56686.1	23959.86	27460.78	30501.38	11704.83	30435.5	29652.76	29248.41	27184.6	27026.16	26270.59	28726.71
N-Methyltryptamine	4679.81	3713.54	4236.32	4043.42	4096.73	8115.41	7285.63	6746.8	7291.7	6328.4	5033.91	8240.93	8305.57	7608.89	7329.17	7318.71	5732.04	5837.38	4878.72	6730.96	4422.25	6124.7	3533.73	5969.51	7909.07
D-Xylulose 5-phosphate	12853.95	12204.87	10502.41	8676.79	8858.95	8543.83	8004.88	10959.71	8558.53	7862.45	6461.84	6614.23	6043.13	6115.12	7382.63	7282.13	6411.49	7591.49	6419.96	7897.35	8073.34	7280.85	6792.52	6111.19	7719.76
Dehydroascorbic acid	114840.52	106008.99	101182.82	110968.74	98801.15	140945.17	104722.56	106778.48	106067.42	122511.41	126760.73	180210.75	196923.31	169831.46	134806.69	124032.07	151311.46	136563.81	133928.46	135025.14	116486.34	138575.17	127605.92	145957.04	156188.64
Sedoheptulose 7-phosphate	38097.24	44847.44	18904.09	18199.89	23780.98	55928.86	36043.76	50282.75	46910.74	51322.07	28598.2	32654.32	36251.05	29965.26	18914.93	27322.88	52934.9	58877.41	38119.56	38329.8	29104.24	13898.07	15701.6	21570.77	15955.02
Mannose 1-phosphate	20186.18	18534.43	13307.39	13341.94	15730.44	23415.3	20949.44	18327.97	20124.18	24715.02	17429.98	21738.09	20397.44	18481.14	11439.4	15743.79	17284.24	21075.0	15663.61	22278.13	20575.44	12660.13	14225.13	17304.14	11099.2
Euxanthone	17946.77	14557.22	13181.37	12022.61	11454.96	14527.89	11896.1	13450.68	10075.98	10662.99	12064.15	11340.98	12128.97	13265.19	12182.85	12780.6	11471.51	10502.3	7930.58	10022.14	11129.83	11793.69	11330.18	10874.3	11655.7
Fumaric acid	2083.22	2179.33	1649.15	2061.03	1461.01	2076.68	1839.46	1942.67	2338.14	1908.93	1705.13	2583.59	1203.37	1669.28	1722.31	1492.8	1530.98	1470.83	1555.06	1307.56	1499.25	739.59	1589.65	855.38	607.53
Gliclazide	18208.44	21505.59	24913.96	17873.56	26190.6	22508.79	14809.7	21895.51	20376.77	23106.73	17514.44	30003.5	42290.33	38455.32	28394.31	23087.98	28706.72	23567.67	22750.62	21472.11	20278.73	32084.12	21089.29	30555.8	27760.9
L-Argininosuccinic acid	14344.64	11713.5	8781.53	10172.79	11465.8	8106.67	7352.9	9371.66	11622.7	8890.09	8940.21	8934.94	6776.42	8562.87	8791.72	7404.84	10003.14	6738.51	8159.57	7800.54	8141.52	11002.73	7845.63	10014.72	14105.38
Tartaric acid	3084.98	3321.94	3381.41	3259.94	3582.7	3652.63	3845.55	4013.7	4281.85	3856.22	4629.88	867.36	582.1	4135.31	4496.16	4266.65	4630.81	4518.49	4269.61	4261.03	4678.74	4528.58	4844.62	5611.93	4730.75
Tioxolone	83904.85	77214.74	70687.88	79178.86	71301.76	102520.55	81582.31	78188.17	80853.57	91681.69	97503.22	127133.92	142522.16	129707.55	99477.3	91288.86	108974.3	104329.64	94308.41	95758.54	92163.71	101842.02	96674.85	109139.02	115664.84
5-Hydroxyindoleacetaldehyde	7888.0	6685.05	7271.39	9681.58	9138.87	5971.12	6753.24	5735.25	7587.48	5734.27	4807.44	21955.57	14782.89	12240.08	5571.31	4541.71	3559.23	3729.95	3759.64	3979.39	3926.47	5367.16	4847.2	3213.5	4903.57
Glu-Phe	13885.76	15203.02	12611.75	19645.54	19263.99	12434.66	11894.2	13185.68	15956.59	15713.23	24556.77	32195.65	27635.39	23857.67	22223.72	20144.97	23275.27	28126.03	26344.15	19829.43	23544.61	29635.22	25784.69	30719.15	26433.48
1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine	388997.94	317615.89	360268.97	364647.29	401315.44	259603.12	284244.18	273221.76	285520.81	303990.48	239139.42	281826.99	211006.8	204203.62	184268.42	159278.95	168748.57	169748.8	162019.1	170686.69	136088.07	218480.85	145624.1	148672.07	146332.9
1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine	426309.51	441806.46	409664.41	230223.34	278647.59	209903.9	335491.25	296964.24	203729.04	351828.67	351976.38	335032.33	326216.61	449952.21	276590.89	424108.47	319192.57	241354.24	256398.2	230972.81	177679.24	334325.36	241077.73	364321.12	350435.65
Oxalacetic acid	64471.63	61036.94	58250.11	63279.25	65565.79	60032.85	57315.55	59611.84	59811.78	61788.67	57806.02	56390.54	54197.27	56228.66	66574.89	63804.19	61074.66	58219.27	79099.4	60095.33	51600.78	64852.82	56487.55	59119.95	64553.3
Estradiol cypionate	740659.79	732243.77	628245.82	765283.79	629941.94	966389.11	789921.3	728892.15	1020794.45	1080557.81	998658.95	1034109.94	1065942.82	941714.06	636210.8	660111.67	805917.64	676906.53	696273.81	940688.56	530029.08	742904.36	768963.36	808913.98	652569.92
1-Octadecyl Lysophosphatidic Acid	438144.36	470453.95	379296.63	587171.32	430713.37	577323.6	437297.95	478889.44	642293.42	687156.2	766531.66	665525.68	695209.57	596475.85	423505.84	466001.95	524996.98	480396.08	466489.67	559205.13	362421.75	497979.08	541910.95	494885.2	444613.16
Adenosine triphosphate disodium	17330.09	16990.76	23146.63	18678.47	25091.95	12840.36	29584.63	21233.31	22013.03	27134.77	17345.45	18631.02	22465.09	24892.48	20607.3	25038.65	23870.52	19113.97	21166.26	20564.26	15564.74	19302.0	18400.76	21363.17	25937.48
Valproic acid glucuronide	10484.13	10624.99	9576.22	13997.45	10442.99	14633.21	11572.89	11516.77	15662.38	16732.27	16380.66	16720.54	16638.16	15723.37	10556.45	10823.9	12408.25	12477.8	11330.71	15392.53	8578.49	12104.62	11347.29	10302.22	10600.68
Triptophenolide	136255.85	127583.46	112008.51	172150.01	129370.88	173397.74	143875.73	134510.2	212877.1	235654.97	193333.14	212182.16	163392.15	147575.37	119599.22	133906.05	142124.79	140919.85	127394.31	183150.43	130945.03	144678.97	164191.52	163654.45	141585.31
"13,14-Dihydro-15-keto prostaglandin F2alpha isopropyl ester"	41656.0	43175.97	36844.09	50859.08	38641.55	48825.04	38269.92	43638.72	56264.71	62952.4	63167.84	56266.49	56514.74	52107.8	36072.54	39781.43	47286.88	46377.79	42365.99	49077.22	33023.57	40414.44	45956.01	45829.39	38392.9
11-Epimisoprostol	74089.2	80634.81	64542.49	86185.62	64345.67	86944.75	73520.26	80214.01	89527.09	109516.72	102753.59	98107.18	104855.88	85262.8	69486.16	69248.58	78676.62	71023.57	67342.97	93881.26	55402.27	66401.62	74785.09	74434.21	73800.11
L-3-Cyanoalanine	1841.65	1947.68	1620.83	1547.2	1344.6	935.86	816.46	853.59	1271.86	1138.07	1325.71	1229.42	1437.93	1356.79	1496.05	1149.6	1647.02	1590.94	1379.45	872.09	1561.15	1509.48	1200.78	1725.0	1991.68
Nb-Palmitoyltryptamine	6918.02	12534.83	6838.67	6426.19	5603.97	5836.62	6467.02	4512.11	6333.12	5390.27	4252.99	7338.39	8289.43	7837.35	9918.26	9604.53	5168.61	6166.38	6236.68	6874.87	5871.2	5111.2	5538.04	4068.37	9431.7
Enalapril	43514.1	46602.77	38960.12	46690.32	41011.44	53409.79	45093.77	46587.93	58349.32	66900.16	61993.85	57563.32	63020.15	58786.06	36089.74	35355.59	46307.4	46156.34	41224.24	53195.87	34618.61	43644.42	51582.27	47378.35	34916.1
Prostaglandin F2alpha methyl ester	117367.63	123859.85	101036.18	141562.52	104339.68	155539.37	127735.19	120999.82	150440.82	169563.65	154659.89	153730.92	159926.57	145249.53	105549.04	103879.09	124285.75	115712.69	101306.29	137989.38	95063.53	114610.65	141347.92	123264.56	114166.05
5beta-Cholanic acid	36084.71	29774.49	31502.78	30346.39	31645.66	30939.26	32027.48	30599.15	25940.29	24495.15	27671.11	37056.02	33537.84	29122.21	24217.69	22915.15	20617.96	20708.59	19276.21	22156.77	19329.72	30189.55	23081.06	25293.07	29537.99
beta-D-allose	5106.37	3930.46	4319.81	5119.31	5486.42	4938.46	4114.2	3410.32	5266.99	5043.21	4324.5	5122.24	4441.57	4256.78	3697.87	3951.54	3775.88	3839.53	3941.73	5619.63	4773.9	5364.31	4502.76	2259.15	3793.71
Enalaprilat	51106.68	52340.98	46174.56	63369.2	54292.54	69372.32	52526.18	49415.37	76461.69	72782.58	71101.65	69902.87	70560.89	62074.67	44764.7	45248.19	54437.45	53456.59	50041.72	64767.2	42376.0	49260.59	62088.76	60947.11	45068.11
"Sodium (2R)-2,3-bis(hexadecanoyloxy)propyl 2-(3-carboxypropanamido)ethyl phosphate"	2060.34	4284.18	3658.55	5756.31	2678.89	3969.89	3391.51	3105.65	1392.56	5016.35	6526.76	5381.09	4879.37	4631.07	3731.45	2940.77	2673.6	3214.84	3491.43	3102.32	2143.74	3485.97	3067.54	3964.53	3553.86
Minaprine	456305.48	467115.94	386400.2	539572.31	404956.0	577368.41	475559.91	413865.52	690898.88	634978.69	628746.56	642806.57	597532.88	522020.92	368231.17	383148.3	457423.53	421303.15	426371.74	560799.12	350751.65	408861.17	516522.59	478675.97	389324.14
1-(2-Hydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one	11579.45	12180.38	9868.79	14060.98	11908.46	19553.21	14097.39	15898.89	19927.51	23478.2	24668.9	13213.57	14379.74	13488.79	10934.65	11279.81	14242.6	13055.15	12797.04	20163.42	9167.95	13866.01	17946.35	13829.83	10946.17
4-Hydroxyisoleucine	4843.85	5044.77	4634.07	5931.24	5632.64	5128.22	4802.82	5799.25	5607.76	5380.75	4641.06	5292.02	3812.83	4513.97	4261.78	4721.37	4808.09	4946.94	4614.82	5106.94	4419.43	5869.45	4947.26	4114.46	4175.91
"1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine"	9619.3	10748.22	8727.6	8845.82	8647.52	12710.29	13121.08	15463.87	9543.97	11054.17	11456.27	16231.41	15009.02	14610.82	11786.81	15627.16	14380.57	10070.64	5483.36	12119.16	4738.22	12289.66	8635.51	12719.96	14561.58
"1-Oxazolo[4,5-b]pyridin-2-yl-9-octadecyn-1-one"	382807.3	376002.4	353393.71	477410.1	369384.2	527035.46	420918.67	461442.09	553951.62	601951.91	539225.54	549124.01	568553.01	541267.71	347615.01	376825.67	418901.59	390793.09	371604.33	482344.01	313720.73	354890.08	470115.42	427298.44	350953.52
Raclopride	23449.64	19916.92	17544.92	18282.6	14042.82	14307.38	15338.9	14394.69	13877.01	13569.28	12275.4	18184.97	15140.33	11603.17	12683.9	14963.7	12556.69	13842.3	11794.41	12337.32	11121.03	14083.13	12588.86	11861.69	13078.56
"14,15-Leukotriene C4(ExC4)"	15447.5	13708.83	17500.06	13269.27	17315.48	18710.03	19540.22	21364.86	13830.5	11672.17	15081.27	29049.6	20971.47	27206.44	14245.61	11987.96	17482.0	13528.99	12194.44	12758.16	11873.13	16226.02	15569.73	16764.7	15231.62
tert-Butyl (4-(3-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)isoxazol-5-yl)phenyl)carbamate	22533.26	18885.06	20684.82	23002.61	22150.69	34268.83	25694.89	26330.08	34525.8	43100.27	37645.44	24687.51	24761.69	24518.85	20996.87	23960.75	26054.36	23247.77	19173.71	32389.69	18796.13	17156.45	31409.96	26859.89	22712.48
Glucobrassicanapin	8412.96	9432.8	11500.12	11060.29	9970.29	13296.23	12657.41	19426.14	16411.41	14993.94	14265.35	16644.15	11488.57	10658.98	14422.61	13391.39	14246.66	14896.19	14519.35	20174.43	11611.55	16581.45	11303.5	13446.91	14491.3
Virstatin	22860.68	25862.86	26172.54	20929.47	20933.65	22956.51	20507.51	37117.88	29003.89	27326.34	21318.82	22406.55	16045.81	19718.11	19473.94	21351.65	21391.6	22736.43	18582.03	28825.53	19817.37	23301.38	21389.69	21399.09	22792.52
Afzelechin	33262.67	24262.07	28762.3	28531.28	28615.39	38412.42	30464.42	31471.6	28072.15	30600.74	34430.68	55739.33	60649.02	52820.99	32419.95	38563.83	36092.15	24801.46	19797.74	33542.87	32824.67	37514.49	30846.52	31520.8	33923.43
2-(2-Pyridyl)-4-methylthiazole-5-carboxylic acid	40074.12	41755.37	34903.19	37089.88	32386.87	38266.87	35576.87	33656.39	37183.24	31244.16	40650.41	44200.0	51854.96	56214.9	44622.51	35942.69	45548.41	43106.36	40498.58	37112.73	35139.67	43040.85	41212.96	41307.13	51027.89
Taurocyamine	42739.83	36245.39	38382.96	45018.28	46304.64	32151.24	31472.17	29736.3	35600.35	40182.91	32205.47	49791.94	37158.03	26231.89	21701.79	19256.04	22918.81	24519.51	21044.48	18963.03	18623.5	32146.61	20023.42	21708.93	23239.82
Sulfanilic acid	6872.32	6146.78	5611.02	5713.67	5056.98	5359.37	4481.15	5262.44	4456.12	4366.88	3589.32	3946.26	3534.88	3648.23	3011.85	2444.0	3233.14	2682.54	2693.6	2602.17	2290.61	2883.3	2125.94	2231.79	2598.09
trans-trans-Muconic acid	15800.31	14412.25	14457.16	15380.5	15393.78	18233.68	16105.31	16673.18	15322.86	18535.06	21274.36	24523.68	26183.15	25889.07	21354.69	18438.4	21031.92	19571.13	17018.91	19300.68	20844.98	20029.19	20308.0	19422.95	19696.77
Lithospermoside	21484.75	23634.42	24897.72	21412.03	21340.08	25853.85	23209.0	40528.92	32471.15	30073.22	25049.69	26909.97	19271.71	23260.73	22972.43	25265.34	26046.77	8239.03	21885.76	34798.9	22212.86	28483.15	25686.76	24182.66	24825.38
Floxuridine	16581.09	17098.03	18275.56	19051.29	19740.51	23067.92	21732.31	28559.25	25544.49	25575.96	21774.37	21924.18	17084.25	19552.94	23293.16	21652.34	23569.05	25590.89	30900.71	32410.78	22116.57	27295.97	24506.84	21191.67	23866.88
"1,2-Ethylenediphosphonic acid"	4174.57	3800.88	3039.56	6433.35	6213.75	6911.82	6977.69	7405.77	9705.3	14944.12	8217.91	45217.28	35094.28	8287.59	5575.17	6251.02	9018.59	9472.05	7629.78	9375.67	7789.55	4053.51	5916.2	4961.43	3591.95
Quinalizarin	25505.72	26861.92	20899.48	26733.83	23897.67	19205.87	18900.84	19719.61	18493.71	20305.32	22028.38	28906.64	22478.3	20002.78	14654.1	17091.94	20031.16	23533.93	21090.36	14245.85	17225.35	15074.32	16997.71	17597.03	16723.21
L-Methionylglycine	14461.63	14238.84	16027.21	15965.03	18735.22	21414.61	21207.47	25525.23	22712.7	20894.96	18343.01	23345.21	16550.92	17660.12	22361.42	20436.84	19262.67	23510.82	31674.05	30480.55	22030.41	24933.57	21968.36	19621.8	24524.83
trans-Aconitic acid	85742.3	78766.25	74373.04	82774.93	72420.61	105687.35	81815.95	86593.08	81478.97	88010.34	94421.87	112374.18	124348.74	112548.1	95053.09	88935.02	105689.38	102815.97	89712.42	98191.97	89692.8	99695.52	93332.28	105106.08	111919.76
4-Hydroxybutyric acid	4022.93	776.34	3335.94	4764.67	3602.31	7522.73	3736.85	989.26	7093.81	11060.08	480.08	916.41	6708.53	4647.92	1588.91	1356.0	6866.46	7222.54	3968.59	14402.88	692.73	610.53	527.62	8126.1	9550.89
"Vitamin K1 2,3-epoxide"	407567.93	441388.27	317176.03	498931.87	362105.38	541323.83	467329.56	503814.68	633612.57	624638.29	614433.82	638407.92	608657.52	563121.49	343305.48	364131.47	439892.57	416426.33	349290.23	547792.95	290857.55	379987.72	462507.71	447789.1	348211.99
"3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one"	86915.03	89204.87	56032.89	82459.99	79812.29	100961.12	88925.01	89835.88	112916.26	140180.67	119829.1	113313.62	109806.53	101882.46	75278.43	70285.88	90971.62	71627.57	93866.42	125383.62	51141.55	87159.23	106968.43	88366.0	69147.01
"(1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid"	26580.96	21648.41	17833.53	26284.27	17941.81	40404.99	33613.9	22975.9	28175.72	34812.69	25645.39	21641.03	20555.61	28251.94	22505.46	21558.38	27615.39	24685.22	23664.75	40503.02	33515.82	30796.15	33248.18	22834.11	27795.2
"5,8-Epoxy-5,8-dihydro-10'-apo-b,y-carotene-3,10'-diol"	714589.09	788934.25	679269.47	936956.03	793093.04	1036020.81	731008.98	957302.89	1019260.74	1250428.14	1113011.99	1080824.32	1164535.86	1010810.28	696749.53	709611.99	843042.89	783873.69	728268.02	1027971.4	615619.98	756368.71	858802.81	817317.3	762451.95
Pyruvaldehyde	7667.22	10598.69	12663.98	8848.78	10182.12	14292.23	16544.89	17443.61	11176.28	20291.5	12871.35	9618.76	6470.15	41912.53	13680.52	53460.57	32731.42	21571.9	12886.33	11248.65	17329.13	7052.0	7909.39	37613.86	6785.01
"1,1-Dichloro-2,2-diphenylethane"	10545.51	9728.65	10476.38	16506.0	12953.48	17699.04	18995.93	14616.8	18976.75	13196.26	14856.42	18193.0	21085.41	15406.65	15209.2	14020.22	15347.16	21003.51	12330.61	15021.42	10609.55	15382.16	12110.04	14252.23	17986.08
Sudan I	22215.09	23677.16	18975.62	22067.26	20815.61	33086.15	24723.58	24104.91	29319.39	35217.24	35269.09	20586.67	20961.32	20122.84	19615.09	20369.39	22028.15	22154.75	18221.34	28157.62	16480.37	20399.84	25244.31	25766.68	18364.39
Gymnodimine	16489.34	13167.44	16071.04	15040.61	17501.66	12267.96	11911.52	11997.66	11460.29	12306.33	10368.28	12946.78	9674.52	10056.77	8428.28	7818.63	7253.96	7777.89	5767.53	8120.35	6099.44	9776.77	7111.64	7257.94	6616.23
Dibromoacetic acid	3170.05	3629.32	3679.9	3120.41	3891.65	5116.79	3922.62	6208.81	2800.53	3755.28	4013.82	1499.11	1806.9	1699.96	6057.03	4173.11	5761.47	6619.58	5918.98	5445.08	4887.13	6581.02	6089.43	6133.49	6602.81
(all-E)-6'-Apo-y-caroten-6'-al	77240.96	80120.77	74668.6	76885.83	76279.55	71946.05	71718.6	71819.32	78617.53	71354.49	79420.67	88761.84	82314.4	87918.31	76957.8	127332.63	70645.34	71880.77	75444.58	83823.71	79761.63	81209.17	69084.26	73943.98	72623.6
Albanol B	2040.9	1908.95	2971.5	2366.54	2193.82	1335.1	2461.94	1923.22	2356.19	3901.08	6433.83	6509.27	7788.44	6330.9	4680.11	5055.03	7148.53	6498.47	4783.16	6657.51	5553.92	3347.72	4135.84	6952.21	6646.5
Calcium l-aspartate	22891.73	17673.93	17029.77	16623.92	17436.41	9345.96	9789.16	11293.79	10176.88	9697.86	12084.79	13520.46	10322.26	9385.8	8972.64	9825.53	10297.22	9436.41	9154.78	9296.05	10184.22	11188.59	9846.92	8394.5	8265.89
Menadiol disulfate	16584.79	15047.25	13951.19	15653.48	13216.14	17098.21	15294.06	14374.19	12061.16	10604.86	11566.66	12380.33	14407.61	11024.54	11078.96	12518.2	11997.27	15148.12	9858.93	11136.63	8923.92	11105.79	9454.73	11015.29	13573.61
penitrem D	141768.86	113493.77	128561.79	129902.15	148548.61	84364.99	85986.7	97992.21	103143.75	106025.63	79548.28	87164.75	61616.38	61161.04	56227.96	37800.08	47329.94	50869.64	48311.88	46535.4	38330.51	68902.98	43758.46	35655.09	42202.35
"3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol"	7191.02	6948.64	7696.22	8466.69	8921.84	13253.36	9635.55	3308.29	10133.05	2917.64	8659.57	4069.21	12255.28	6255.27	4306.96	3764.19	4820.04	7338.93	4225.87	7219.9	5684.95	4125.52	9504.06	7161.85	3938.46
Panaxydol linoleate	16668.02	16617.53	14774.01	21799.02	14087.18	25986.42	20187.77	21254.57	18375.76	26724.4	26117.91	26129.37	27504.73	20368.45	15439.96	11290.61	15891.98	14431.93	13793.96	22365.56	8128.45	13349.21	18191.01	17798.38	12296.11
Isosorbide mononitrate	4636.06	3971.56	4141.72	4494.6	2688.75	3143.55	3165.69	2526.78	3338.29	3712.84	5373.76	5465.58	5470.18	5520.32	3618.29	2752.13	3884.33	4839.08	4001.05	3809.38	3791.75	3657.95	4492.25	5413.56	3471.16
Nicergoline	1002.93	2636.7	2123.27	2711.87	1164.8	4095.65	543.49	6235.66	908.53	8061.26	4540.33	15627.68	7912.9	51210.9	1477.67	7951.9	3950.89	8427.26	5455.87	6473.26	1765.02	4903.66	2437.3	8055.6	2040.69
Lycodine	16202.74	14475.38	14134.89	17626.4	17039.72	24396.26	16789.85	18443.48	21756.04	28458.08	29737.08	18052.32	19086.36	23656.68	11847.66	21384.64	19073.71	12696.25	13067.82	15713.43	10585.8	20364.45	29930.25	21664.66	19424.93
(2-Hydroxyethyl)phosphonic acid	5862.94	4952.65	5871.64	3921.91	6115.78	3397.41	2872.56	5299.13	3873.27	4055.91	2797.19	5701.86	5897.69	4472.16	3505.25	4080.87	5675.08	4743.82	4870.92	2664.34	2253.13	3478.28	2436.52	3616.05	4184.7
Diospyrin	4563.97	9009.52	8079.72	8257.43	5983.09	13002.35	2795.41	21482.66	4005.25	27052.16	15797.66	53665.81	26332.94	162603.46	7675.85	26422.41	13665.94	31081.8	3066.25	21663.12	6802.02	14701.59	8583.72	28106.66	6031.97
Zhebeinine	11720.67	13398.63	12869.95	12405.67	12784.57	12393.59	13010.89	14131.9	25726.08	25280.98	12578.29	14464.43	13762.58	27616.51	25349.67	13124.03	13379.69	24193.11	13220.24	24686.3	25370.94	24168.38	13587.82	13313.37	12681.6
Dehydrochorismic acid	65.75	30.77	54.27	66.12	63.03	59.65	66.31	75.05	67.03	82.44	44.75	27.69	66.78	54.85	105.54	79.11	29.58	120.1	100.32	84.15	101.41	55.58	96.77	76.91	97.86
Dimethylstilbestrol	17407.74	12886.07	10928.7	15525.97	16383.42	9310.3	10504.22	14867.97	22333.6	23313.99	10846.79	13820.13	7272.72	9292.25	7300.93	7071.59	9893.03	12456.02	11493.28	18132.25	10545.02	14199.32	12260.24	8699.91	5474.45
Erythrinasinate A	56517.15	40113.75	54755.03	50491.16	60893.74	36696.63	42068.02	41803.43	38002.22	31635.01	31415.2	26748.84	25580.76	19099.59	35415.48	24344.56	25979.89	27729.41	36061.6	28792.49	31218.97	49422.99	22759.44	30830.91	2907.47
Citranaxanthin	21937.34	24318.65	18956.82	26079.29	21535.02	28710.62	24961.5	26533.94	28006.38	36100.0	33412.38	34412.04	33545.05	27816.85	22758.93	19055.3	23538.08	23082.05	17181.44	27809.31	15499.48	18494.35	26833.94	22449.16	18714.58
Deoxylapachol	10590.87	9729.66	9517.59	11912.51	12103.62	12808.84	12192.3	15996.35	20919.21	18591.43	9664.31	13776.48	8492.39	8521.36	9033.96	9600.43	9742.45	11328.07	10346.31	15321.85	9133.81	10906.72	8425.19	6867.83	5978.69
"(1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol"	1712.7	509.12	1540.68	804.9	1113.36	2147.64	2497.8	2232.84	2797.6	2121.04	2592.16	5355.65	5543.74	2788.66	3521.41	3794.28	4099.77	2895.97	2185.9	3013.98	2770.47	2449.86	3068.84	4673.46	5632.2
"1,2,4,5-Tetrathiane"	3746.53	3837.13	3873.7	4170.02	2631.19	4242.4	3904.75	4079.69	2763.95	2788.59	3442.19	3916.8	4303.24	3668.35	3697.96	3247.38	3414.48	3195.25	2890.14	3634.59	3138.12	2469.39	3183.95	2400.12	2512.26
Cifostodine	12567.23	12673.87	9852.9	10221.28	6958.42	12009.58	9950.24	7529.92	7959.68	8799.96	10778.15	16235.17	17970.49	21438.18	10480.88	9683.82	14029.98	11605.79	7555.38	9261.71	12852.57	10060.93	10900.84	16312.32	11267.15
Scilliroside	96609.04	75895.9	80347.45	82072.43	90636.78	67099.4	67932.8	81852.32	69422.11	75287.63	80878.09	102197.15	105694.12	69911.59	60494.97	35940.93	46988.95	53519.71	49674.32	41345.1	41323.39	76514.04	46883.88	30403.18	35156.21
3-Mercaptopyruvic acid	3970.27	3993.16	5017.65	5886.76	5128.87	6467.83	4383.49	6537.42	5703.15	4933.38	5532.58	4850.86	7900.6	6457.2	6060.66	5905.58	3199.51	3658.57	2383.79	4394.95	4300.69	5121.83	3372.19	4760.13	4678.53
PM-toxin B	146103.2	154716.81	126929.25	195246.09	141748.99	217773.18	184142.58	211941.93	225453.39	230212.25	225683.22	242191.99	248805.11	200479.31	138187.95	132155.69	162892.53	142951.39	147561.18	195448.66	99693.02	130915.56	168579.7	164897.52	120227.62
"4-Isopropyl-2,6-dimethyl-1,3,5-dithiazinane"	2590.83	2939.87	2672.25	2969.09	2916.47	3055.72	2919.89	3329.57	2917.74	3183.23	3331.16	2337.02	2566.19	3295.06	3006.29	2949.14	3264.88	3118.21	3156.48	3419.46	3034.18	3188.41	3172.68	3421.58	3073.63
Anibine	897.48	1167.17	1086.41	1193.68	1133.19	2350.58	1750.96	1991.89	1927.58	1814.35	2545.0	1699.47	2892.71	1421.53	3251.39	908.35	1910.22	3059.79	3107.03	971.15	1053.69	2919.95	1288.01	2458.81	2705.97
Oxynarcotine	10794.13	9445.21	9213.17	9861.7	9104.04	8403.97	7358.32	7542.95	7725.9	7657.82	7110.1	10661.09	9844.47	7148.71	6666.79	7522.4	6651.52	7416.6	6732.1	7646.07	6404.14	7521.76	7315.39	7061.08	7371.47
Pamidronate	5625.44	4992.51	4731.31	4583.06	4157.92	4711.42	4604.92	3900.74	3253.7	3222.81	3460.79	4556.94	5077.79	3410.56	3611.02	3767.04	3312.92	3675.71	2977.75	3401.66	3216.91	3809.66	2935.04	3209.86	4470.9
Cmp-nana	24522.75	22850.73	24754.87	25993.26	27098.95	30801.93	28498.53	27905.11	28592.36	27664.72	28953.81	38031.68	33925.66	29314.19	28063.69	31068.61	27054.84	28929.1	24285.4	26881.98	27142.04	31799.06	28658.25	26759.04	28993.41
EUK 134	6469.02	8329.42	8886.31	9251.66	8214.13	11197.29	10421.92	14063.6	12321.75	12824.42	15096.06	17105.17	12574.01	14079.35	12514.03	15240.7	15336.83	15381.78	14329.92	15727.42	11266.18	15617.03	13644.97	15828.52	16007.1
"(7R*,8R*)-3-Methoxy-3',4,7,9,9'-pentahydroxy-8,4'-oxyneolignan 4-xyloside"	25276.51	26570.56	18244.68	29474.35	29367.88	37109.92	28643.18	32837.02	39205.33	44391.84	40132.92	31985.69	31257.46	26676.17	13803.46	26105.46	27744.61	27627.54	20786.03	36439.03	19341.36	25089.71	32607.2	30108.93	25544.79
LPI(16:0)	16751.85	22156.81	19729.85	22040.26	20334.35	14989.53	17076.31	16003.08	14863.55	15764.25	17599.7	20452.48	18157.59	18640.26	13530.98	16306.45	18896.57	14543.33	13567.17	13230.37	12117.58	17973.48	14870.95	13330.1	11611.25
LPS(18:1/0:0)	13350.89	7897.04	10978.57	12112.32	14471.24	7171.45	8633.43	10061.83	11554.87	11296.51	7673.43	8555.34	5390.97	7625.86	5423.7	5694.48	6330.76	5873.29	5207.68	5880.01	4904.28	6721.03	5382.48	5742.11	4588.82
LPE(0:0/22:6)	270707.85	2660.29	267019.06	240008.28	273888.5	174294.81	189866.1	195283.83	182332.66	3753.7	159275.85	167632.69	84330.3	162986.07	117145.17	131295.66	127809.55	116339.34	93179.79	94435.63	96215.94	155147.9	86788.69	107601.83	3273.48
LPE(0:0/18:0)	102395.82	92176.23	106048.11	105300.59	91456.4	87025.97	102570.09	98122.65	72511.57	85978.4	78766.03	105385.87	97254.81	113434.63	86036.31	106374.4	90062.42	70673.16	67209.74	81950.6	70590.55	91942.62	76608.82	83481.49	59573.38
LPS(22:6)	121370.69	131777.23	112274.14	108895.18	122593.47	72833.92	71619.64	87810.92	85904.98	112860.66	73695.91	45814.75	67864.95	58991.64	56586.15	41626.9	48474.33	54531.06	36009.27	49478.2	41125.4	88605.22	52360.05	54138.22	61763.73
1-Hydroxy-2-naphthoate	10077.82	7737.53	9093.08	9442.21	9351.18	12398.38	10533.78	13360.97	10288.51	14375.83	14665.67	25845.05	25616.54	28035.09	15908.62	15372.0	14245.24	13727.09	9915.11	12461.27	12253.71	14806.09	14102.6	14373.19	14574.4
UDP-D-galactose	29023.81	24574.11	34938.07	38975.78	34781.73	30708.54	35248.84	24567.34	31261.07	38525.53	52567.67	64961.86	66534.34	55382.43	56400.31	62386.04	38894.92	51027.81	34657.83	16601.46	27126.75	35344.79	39649.44	40912.19	43556.24
LPE(22:6/0:0)	681835.44	600209.09	591955.34	921850.49	586916.53	400547.71	417720.62	442449.81	460941.29	478549.52	362965.51	672768.21	322863.39	620934.4	243302.81	329400.67	323891.63	145374.66	383344.03	373369.71	382875.85	325423.44	229514.21	383118.91	202762.37
3-Deoxy-D-Lyxo-Heptopyran-2-ularic Acid	3545054.94	2904340.75	2569903.46	2926991.47	3352834.98	2453032.42	2619698.92	2617540.57	2070330.67	2467729.5	2130196.76	2715707.51	2530045.95	2147848.11	2256581.55	1780930.43	1765084.41	1859486.16	1879245.26	2125725.8	2172502.51	2974245.78	2320563.24	2226058.2	2583355.27
Nimesulide	45822.06	33271.17	29871.85	30471.89	27339.97	35621.75	26696.88	32373.89	22168.36	25556.2	28117.03	27060.37	31234.09	32716.03	28747.44	29396.86	26001.45	23623.65	19392.12	24792.48	23600.95	28431.73	25038.52	24506.2	27605.45
"(3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid"	31037.19	30464.48	32156.91	24741.36	28822.96	29390.57	28664.86	62218.86	47310.13	41560.57	15176.75	23019.74	14980.91	19911.48	27350.87	24137.68	22109.51	27077.81	23292.52	45793.39	27372.58	29960.43	27611.1	22244.09	27053.19
"(S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4-benzopyrone"	7743.63	7023.48	6971.7	7885.49	6843.8	5390.57	5657.22	6054.88	6912.47	8030.91	10594.97	11770.35	13738.61	13774.51	9151.45	10523.43	11258.53	11035.6	9193.03	10794.94	10537.82	11189.05	9724.97	12004.12	10493.75
Cytarabine	13460.95	9069.44	9720.45	12688.35	10851.19	5511.02	4824.22	5003.04	4501.35	7276.07	7336.84	10282.28	6750.04	8822.02	2516.1	4521.47	7813.57	5131.32	5059.5	3529.66	2169.19	3651.98	2238.31	1935.53	2232.72
"1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine"	21868.42	21421.36	24088.76	20058.56	20075.06	17459.8	20099.79	18890.23	18228.42	17231.51	18522.25	33411.91	25099.63	22788.18	19123.88	24432.61	14534.44	22468.18	20761.37	17688.24	18279.75	24500.61	19612.59	23710.52	24193.65
"13,14-Dihydro-16,16-difluoroprostaglandin D2"	113758.81	118406.09	100832.0	124655.19	112694.48	152760.22	122941.22	136646.13	148365.74	154448.4	150526.66	155546.24	155997.92	142876.27	105933.68	108251.44	118981.85	115699.31	111672.07	145309.58	94480.42	94296.39	129182.36	126268.39	103767.89
Glycerophosphoric acid	4317.76	3744.26	3614.19	4133.64	4454.15	2566.14	2959.28	2237.53	2699.22	3035.04	2940.25	3555.64	3013.03	3344.28	2019.78	2161.59	2232.42	2313.02	1940.75	1729.7	2078.13	3077.28	1845.19	2216.2	2112.09
Moniliformin	82092.97	73848.89	74267.79	80427.37	72371.54	104375.39	76368.72	86664.71	80442.46	88692.1	81563.54	148768.82	178449.82	162585.9	95924.09	85666.69	102141.9	87219.82	90380.96	98395.71	79455.95	90735.09	84996.01	95784.43	102361.38
BW-245C	118765.0	125199.3	103781.48	140652.28	120186.86	161878.85	126096.73	112027.84	165195.5	199108.29	161791.37	163017.07	148543.74	171030.98	104864.25	88991.32	127445.25	118225.63	113893.56	150079.77	93759.9	105205.69	125364.71	123477.18	110094.64
Thioctic acid	31753.18	28533.49	26795.58	27980.27	23571.95	34869.24	25959.45	25382.41	27626.23	30184.19	32877.4	38913.03	43665.22	38533.1	32268.37	28877.84	36537.5	34687.9	29767.8	31057.49	30834.01	36746.47	31898.88	36670.67	39044.71
Uridine-5'-diphospho-N-acetylgalactosamine disodium salt	46382.36	40988.65	48402.79	54428.47	51622.31	49146.28	49267.7	48508.8	47684.1	58131.45	80418.25	97298.07	123084.43	91038.19	64423.42	80944.39	102412.73	91436.36	63518.67	46588.05	64985.99	66807.64	62755.95	87518.57	78965.87
2-Hydroxysaclofen	44118.95	55979.49	56396.82	61156.67	62664.52	70846.46	68025.87	67080.72	72951.15	76869.61	84858.7	89823.89	76060.77	79250.32	79065.15	84523.73	82467.61	79232.26	86591.99	82251.92	60356.08	87100.23	73449.9	78809.91	84362.94
1-(1Z-octadecenyl)-sn-glycero-3-phosphocholine	52596.86	46736.47	51309.68	50065.26	52415.54	45260.98	45854.4	43956.33	40063.94	44926.31	37083.84	43716.39	37976.37	34231.19	33316.07	31798.92	32452.99	29936.54	27828.67	32275.88	26003.08	39121.13	27020.31	28720.94	29131.09
"1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine"	66248.88	77136.81	82180.46	77305.31	65335.96	79801.7	91855.31	96366.95	87660.15	77540.92	83956.05	96966.44	91038.07	100179.99	86523.68	71101.74	87003.68	82463.37	87233.25	77940.33	82393.59	66573.41	64497.74	85514.6	62058.12
Fosfosal	3158.38	3768.31	3470.74	3845.77	3910.14	4273.75	4137.0	4409.94	3823.65	4232.14	4800.98	7763.65	8077.79	4626.15	4960.58	5050.24	4710.7	4548.76	3901.45	4286.71	3775.71	4865.48	4362.71	4998.62	5301.28
Carboxyphosphamide	3546.14	2789.53	3196.32	3083.59	2536.01	1237.01	2262.39	2239.69	2545.27	2403.05	3367.89	2026.13	4631.39	3721.44	2781.83	3882.5	4500.29	3308.54	2785.64	3431.14	3322.56	2813.98	2713.26	3418.06	3027.2
Tyrphostin AG 126	24176.58	24462.72	21348.32	21362.74	17632.15	17660.25	19222.85	16447.24	15104.43	14623.44	15786.55	17631.66	15341.83	12549.61	14135.26	16620.69	14505.5	16062.59	12871.22	13741.41	13724.94	15746.82	14112.35	14772.54	14638.67
{4-[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]phenyl}oxidanesulfonic acid	3841.94	3956.22	3977.65	2753.93	4076.22	2267.95	2297.44	2547.37	1719.17	1500.47	3440.17	6903.9	9591.81	9422.46	2349.11	2592.71	3054.91	1977.58	2477.75	2689.49	2896.24	4142.48	3799.67	3205.88	3657.47
Malonyl-coenzyme a	2548.88	2173.04	2458.07	3496.23	3366.77	5145.71	3999.1	4558.11	5521.51	4435.62	4177.6	7510.72	7755.48	4815.24	4491.62	4630.71	4501.0	4287.07	4396.05	4742.88	3163.63	4816.47	3902.97	4714.95	6025.19
xi-7-Hydroxyhexadecanedioic acid	200335.53	268084.77	151004.47	439752.08	214671.55	456109.95	211583.43	353701.25	248948.55	312473.01	285889.39	449332.27	368197.04	359993.45	193812.34	233560.91	241349.2	257232.85	367611.91	339323.89	184836.28	281424.54	213668.88	248420.17	185938.92
"Benzo[a]pyrene-4,5-oxide"	2477.05	1779.24	1681.45	1407.52	1471.52	761.16	464.54	729.88	485.45	528.67	569.92	1480.48	991.92	633.23	724.39	978.85	665.69	593.52	589.56	482.5	914.84	1210.45	618.86	607.43	1584.89
"6,8a-Seco-6,8a-deoxy-5-oxoavermectin''1b'' aglycone"	49528.14	39223.46	44775.31	40488.45	50968.2	29923.65	29956.17	32198.85	33535.42	37399.93	27676.09	29801.48	22506.61	20671.24	18100.69	13143.25	15965.6	17017.6	16717.71	14781.79	12462.77	23416.65	14599.8	12082.15	14812.45
delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine	12994.05	6116.96	14272.14	6342.57	5760.9	5578.53	5907.84	4819.26	17924.62	6248.94	7784.64	8838.62	13746.6	21074.79	19914.39	7837.94	9218.65	7297.16	7687.01	8093.31	9667.81	9339.72	7952.14	7907.94	5812.83
2-Stearoylglycerophosphoinositol	28538.34	25991.02	31922.27	31887.96	31761.68	25841.21	24917.31	22209.34	16739.64	21801.05	22384.69	32050.29	32482.92	29774.08	27394.09	29488.81	24311.66	20824.22	23277.87	16654.2	16432.23	35425.07	22979.62	22111.76	22690.28
"21,22-Diprenylpaxilline"	11832.83	9735.31	11262.14	8950.59	10397.63	9724.92	10174.43	9092.59	7224.57	9550.62	8586.28	9238.93	9159.71	9105.58	8280.36	8424.11	6908.03	7445.29	7032.0	7814.71	7500.6	9912.59	7893.89	7172.45	6777.2
Isonicotinoylradical	1693.51	914.17	1207.4	730.38	1370.97	1418.74	2780.11	3363.85	3003.7	2705.54	688.34	2099.82	1209.1	4232.59	1258.07	2308.96	1196.93	1598.78	1899.38	2515.42	1211.74	3020.41	1600.18	937.98	2144.82
1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol	49355.54	47337.12	43955.96	55014.42	46518.4	28772.9	34204.87	35871.7	23347.29	28846.23	41434.64	59824.82	52933.81	56825.03	45057.93	47856.3	43398.29	37001.06	40158.05	33486.91	31273.89	61537.17	39886.66	34321.45	31224.1
Neriantogenin	67040.26	22158.62	63620.74	35798.99	73225.25	56650.6	59302.86	75688.41	6923.31	57502.22	105874.79	114355.19	91597.54	89199.65	67195.07	55850.0	77372.49	35427.26	73346.34	88768.14	27417.06	58547.89	28998.56	66146.8	41282.32
"3,3'-Bipyridine-2,2',5,5',6,6'-hexol"	3656.56	3549.37	3805.67	4150.8	3203.54	3632.42	3200.57	3051.45	3364.69	3459.97	3855.89	4408.16	3134.15	5214.6	4256.06	3408.9	5083.76	3757.47	4599.49	3555.8	4280.83	4488.66	4061.37	3879.43	4116.97
GDP-L-gulose	4298.06	3763.58	4489.9	4240.04	5078.74	2458.22	2459.57	2684.88	2941.26	2797.05	4269.6	5973.85	5087.6	4222.62	3335.77	3746.1	4042.17	4168.74	3496.45	767.27	1673.71	2209.35	2212.65	2343.27	1537.89
Palifosfamide	43136.62	37584.21	33139.51	30366.68	29709.17	30644.8	24926.16	30104.59	22374.76	22718.52	22617.74	22156.62	24453.7	23296.56	26043.91	27472.57	24366.54	22763.53	20105.44	21423.93	25238.87	25721.52	21980.42	21827.94	26207.21
"{4-[3-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]phenyl}oxidanesulfonic acid"	9062.67	10896.0	10052.92	17913.87	18678.16	25771.35	14887.27	19643.63	30586.51	69554.84	19488.6	78765.77	75541.55	118433.72	29535.18	24682.14	26109.22	18423.83	27376.34	25019.99	25939.48	19302.14	24782.15	21359.02	27536.28
Haloxyfop-methyl	3758.13	3369.16	4004.66	6359.81	5034.03	7131.48	5669.54	6250.86	7061.85	5980.6	6007.2	11811.71	9108.61	7052.81	5795.42	6089.4	6379.34	7357.37	5605.03	6774.88	4395.3	6766.19	5147.8	6727.75	8276.39
1-Octadecanoyl-2-tetracosanoyl-sn-glycero-3-phosphocholine	7514.59	10459.2	9413.4	7805.45	14485.19	2816.75	2257.15	6874.77	1999.66	2919.81	3933.47	23024.19	5981.98	7239.27	3707.95	3831.14	7542.04	5636.6	4693.61	6215.81	2282.55	18675.07	8155.51	5587.53	5562.77
"[2-methoxy-4-(3,5,6,7-tetrahydroxy-8aH-chromen-2-yl)phenyl]oxidanesulfonic acid"	1485.42	1792.66	1718.72	2244.25	2153.82	3022.91	2771.23	2657.45	2421.48	2753.75	2542.44	3389.57	4087.91	2676.45	1021.19	2767.13	2940.33	3021.32	3507.75	2315.03	2671.31	2726.94	2271.82	2677.35	2869.95
Bis(glycerophospho)glycerol	33525.94	26399.94	29364.45	30977.88	31962.28	28306.34	23476.0	24553.28	22358.52	31368.71	53507.34	54089.48	59866.45	51063.96	39633.71	38578.79	45042.53	44416.23	34886.42	37638.05	40682.22	52221.17	42699.26	50270.54	53367.41
L-Tyrosyl-L-Threonine	46863.46	48501.69	52789.87	67175.33	63861.28	47131.71	69207.43	69420.83	72560.82	69008.86	46259.13	104737.66	99940.15	47700.83	46809.82	74502.81	47947.06	72283.67	45427.71	51283.65	48049.43	51144.7	46300.17	47726.81	48711.31
Thr-Leu-Lys-Lys	29766.28	27649.56	22725.89	32813.28	25671.96	41783.85	26283.15	33174.03	41149.55	40987.48	35271.39	42488.13	41678.63	34810.63	24720.37	25911.1	30674.02	26481.53	24946.68	30812.59	19490.89	26127.51	28017.49	27538.53	22413.78
Lys-Leu-Arg-Asp	81645.23	68580.01	73739.39	71983.32	75232.15	62327.11	62679.89	69876.96	69424.45	67496.86	51728.29	61000.39	42817.93	36694.31	37141.81	24318.97	33668.99	32881.25	35551.09	30033.77	19515.12	43672.77	25604.44	24356.9	28987.7
Endomorphin 2	15596.39	11931.33	13342.21	13876.6	15659.73	10955.81	9542.52	9892.32	10953.42	11164.41	9651.07	12612.16	9498.16	8197.11	7376.17	5794.1	6891.11	7029.36	7156.78	6838.19	4928.46	11875.12	6729.27	8259.55	8650.16
Phe4Cl-Ser-OH	9801.23	12548.87	13967.7	12936.47	12999.38	15256.22	13907.78	17813.01	14765.29	15583.65	18162.67	20698.45	15720.01	19078.38	16052.45	17206.19	18674.01	18880.33	17081.09	18712.6	14410.83	18120.75	19063.61	16911.98	18573.9
Asp-Leu-Phe-Arg	7232.9	6780.12	6870.45	7073.78	7403.86	7254.06	6786.56	6437.87	5976.0	7492.48	5605.35	7095.29	6741.98	7037.76	5616.79	4479.12	5045.71	4761.63	4281.24	5594.92	4035.34	5636.57	4743.8	5547.92	4611.14
"2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1lambdachromen-1-ylium"	14219.6	11381.55	10324.2	9884.45	8677.85	6437.21	6101.98	6758.39	6509.67	7542.61	9371.73	10454.34	12280.74	10972.12	7766.52	9987.11	9904.93	8757.88	7836.57	9928.8	9441.18	10240.72	8194.99	10692.45	9807.7
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	PubChem CID
Azelaic acid	2266
2-Mercaptobenzothiazole	697993
Suberic acid	10457
N-Acetyl-Neuraminic Acid	439197
Monobutyl phthalate	8575
Vidarabine	21704
"3,4-Dihydroxybenzeneacetic acid"	547
"cis,cis-Muconic acid"	5280518
epi-Lipoxin A4	42607306
Riboflavin	493570
Undecanedioic acid	15816
Arabinose-5-phosphate	188324
"1,11-Undecanedicarboxylic acid"	10458
3-Hydroxymethylglutaric acid	1662
2-Hydroxy-3-Methylbutanoic Acid	99823
Dodecanedioic Acid	12736
FFA(18:2)	5280450
Dodecanoic acid	3893
Xanthosine	64959
Pyrophosphate	644102
Pimelic acid	385
12-Hydroxydodecanoic acid	79034
3-Hydroxybutyric acid	441
2-Hydroxyhexadecanoic acid	92836
N-Acetyl-DL-methionine	6180
Multifidol	442919
cis-3-Hexenyl acetate	5363388
"Glycine, N-[imino(phosphonoamino)methyl]-N-methyl-"	587
Dinoprostone	5280360
Traumatic acid	5283028
Furfural diacetal	83553
delta-12-Prostaglandin J2	5280885
Phosphoenolpyruvate	1005
Indoxyl sulfate	10258
Pravastatin	54687
"5,8,11-Eicosatrienoic acid"	5312531
Glu-Leu	9813855
Glutamine	5961
N-Acetylglucosamine 1-Phosphate	440272
Coumestrol	5281707
2-Methylguanosine	135501934
L-Gulose	10130220
Sebacic acid	5192
"1D-myo-inositol 1,4-bisphosphate"	439444
FFA(22:6)	6442063
"1,6-di-O-phosphono-D-fructose"	84951
Hydroxyphenyllactic acid	9378
Pantetheine	439322
"3,4-Dihydroxyhydrocinnamic acid"	348154
Galactose	6036
FFA(15:1)	5312411
3'-Adenylic acid	41211
Ribulose 5-phosphate	439184
Salicylanilide	6872
"2,6-Dihydroxybenzoic acid"	9338
Sulfanilamide	5333
Glu-Tyr	515717
Xylose	135191
N-Acetyl-D-glucosamine	439174
Pioglitazone	4829
6-trans-12-epi Leukotriene B4	5283129
(-)-Arctigenin	64981
"2,4-Di-tert-butylphenol"	7311
Xanthopterin monohydrate	135465063
Amifostine	2141
Hydroxyoctanoic acid	94180
(R)-Equol	6950272
Fludarabine phosphate	30751
Myristoleic acid	5281119
Nalidixic acid	4421
Tyrosol	10393
Amylmetacresol	14759
prostaglandin A2	5280880
Forskolin	47936
Sinapyl alcohol	5280507
Norlichexanthone	5281657
2-Cyclohexyl-2-hydroxy-2-phenylacetic acid	97700
Cortexolone	440707
Geniposide	107848
Ribavirin	37542
Brinzolamide	68844
Rabeprazole	5029
3-Methylsalicylic acid	6738
Pectolinarigenin	5320438
Fructose	5984
Fludrocortisone acetate	225609
2-(Pyridin-3-yl)-1H-benzo[d]imidazole	247635
Scopoletin	5280460
Gamma-CEHC	133098
Valsartan	60846
Nodinitib-1	1088438
2-(2-(4-Bromophenyl)-6-methylpyrimidin-4-ylamino)ethanol	5332859
Trilithium citrate tetrahydrate	2724118
Betamethasone	9782
Coriolic acid	5282947
Silodosin	5312125
Misoprostol	5282381
Demethoxycurcumin	5469424
Sulfapyridine	5336
Rhein	10168
Phenyl dihydrogen phosphate	12793
Dihydroferulic acid	14340
Prostaglandin D1	5280936
Bifonazole	2378
Dimethylmalonic acid	11686
Cys-Tyr	150879
Capecitabine	60953
Glu-Val	6992567
Lopinavir	92727
Milrinone	4197
FFA(11:0)	8180
N-Acetyl-L-phenylalanine	74839
Nateglinide	5311309
3-(Methylthio)propionic acid	563
Sulfisoxazole	5344
Tropisetron	656665
10-Hydroxy-2-decenoic acid	5312738
Pyridoxine phosphate	1055
(+)-Gallocatechin	65084
Domperidone	3151
Ethionamide	2761171
5-Methyluridine	445408
Verbasoside	11754080
Entecavir	135398508
Hesperetin	72281
Azukisaponin I	14103656
N-(3-Hydroxypropyl)phthalimide	70160
Harmine	5280953
Dodecyl glucopyranoside	93321
Methyl salinomycin	65452
"5,6-Dimethylbenzimidazole"	675
Clofarabine	119182
Hydrocortisone	5754
Tizanidine	5487
2'-Deoxyadenosine-5'-monophosphate	12599
3-Nitrotyrosine	65124
Ornidazole	28061
Luteolin	5280445
Fenamidone	10403199
14(15)-Eet-SI	91886141
3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]tetradecanamide	9883786
"D-Ribulose 1,5-bisphosphate"	123658
Dinoterb	14994
Uridine-5'-diphosphate-glucose	8629
trans-4-Methylene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid	9881506
Fenamiphos	31070
Hydroxyprogesterone	6238
10-Propoxydecanoic acid	122098
Uridine-diphosphate-N-acetylglucosamine	445675
N-(1-Allyl-3-pyrrolidinyl)propionanilide oxalate (1:1)	211510
D-Glycero-D-gulo-heptose	76599
Datiscetin	5281610
Threonic acid	151152
2-deoxy-5-O-phosphono-D-erythro-pentose	150629
Prostaglandin E2 Ethanolamide	5283119
Paptga	194146
beta-Glycerophosphoric acid	2526
Ferulic acid	445858
Oxiglutatione	65359
Tetrahydropapaveroline	18519
(4-Hydroxy-3-methoxyphenyl)ethanol	16928
cytidine monophosphate N-acetylneuraminic acid	448209
N-omega-Propyl-L-arginine	447180
Fumagillol	222778
(+)-7-iso-Jasmonic acid	7251183
Dioxybenzone	8569
3-Isopropylcatechol	16498
Ethyl palmitoleate	6436624
Olmesartan medoxomil	130881
"2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine"	1530
Acetylvalerenolic acid	6439585
Biotin sulfone	83863
Fludioxonil	86398
7-oxo-11-Dodecenoic acid	4374065
Imidocarb	21389
Ethirimol	135424354
(E)-11-methyldodec-2-enoic acid	11435803
3-O-Feruloylquinic acid	9799386
4-Chloro-4'-hydroxybiphenyl	91589
5-Amino-2-(p-toluidino)benzenesulphonic acid	66672
"7-Chlorothieno[2,3-c]pyridine"	15914129
"6a,7,8,10a-Tetrahydro-1-hydroxy-6,6-dimethyl-3-(pentyl-5,5,5-D3)-6H-dibenzo(b,D)pyran-9-carboxylic acid, (6aR,10aR)-"	76969399
Sulfachlorpyridazine	6634
Shikimic Acid	8742
Dinoseb	6950
Brazilin	73384
3-tert-Butyl-4-hydroxyanisole	8456
Pyrrolidino PAF C-16	57545133
Caffeic acid 3-glucoside	5281759
CAY-10583	51529932
Glucoerucin	656539
1-((S)-2-aminopropyl)-1H-indazol-6-ol	135453290
"(2R,3R,4S,5R)-3,4,5,6-Tetrahydroxy-2-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)hexanal"	6711157
"3,3'-Diamino-4,4'-dihydroxydiphenyl Sulfone"	82047
Kirenol	15736732
4'-Hydroxywarfarin	54682146
[(3S)-3-Amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]phosphonic acid	6857803
"12-Oxo-2,3-dinor-10,15-phytodienoic acid"	131751254
"5-Quinoxalin-6-ylmethylene-thiazolidine-2,4-dione"	5289247
Cyproterone	5284537
Populin	92735
2-Amino-5-nitrobenzoic acid	12032
Linoleic Acid-d4	12311285
S-(2-boronoethyl)-L-cysteine	9877608
Palmitoylethanolamide	4671
3-Acetyl-11-keto-beta-boswellic acid	11168203
"3',5'-Cyclic dtmp"	12359154
Monoacetyldapsone	11257
"2,3-Dihydroxynaphthalene"	7091
Glyoxylic acid	760
(S)-2-Methyl-1-[(4-methyl-5-isoquinoline)sulfonyl]-homopiperazine	448043
Indol-3-yl sodium phosphate	76830
Betamethasone acetate	443967
Pseudolaric acid B	71307573
ADP-ribose	192
L-Alanyl-L-tryptophan	85362
11-Oxoursolic acid acetate	234102
2-benzyl-4-(octahydro-1H-isoindol-2-yl)-4-oxobutanoic acid	3047758
6beta-Naltrexol	5486554
3-Hydroxy-N-[(3S)-tetrahydro-2-oxo-3-furanyl]-octanamide	66769741
MK886 sodium	4519262
Bovinic acid	5280644
Prostratin	454217
Colforsin daropate hydrochloride	444028
Aldehyde Reactive Probe (trifluoroacetate salt)	91886087
4-(Benzhydryloxy)-1-[3-(1H-tetraazol-5-YL)propyl]piperidine	6540277
"2',5'-Dichlorobiphenyl-3-ol"	92346
(2-Methoxy-benzoylamino)-acetic acid	791250
"7,8-Dimethyl-10-(2'-acetoxyethyl)isoalloxazine"	22641
Famoxadone	213032
8-Amino-7-oxononanoic acid	173
Tolterodine	443879
"2',5'-Dichloro-2-hydroxybiphenyl"	92347
Butein	5281222
beta-D-Galp-(1->3)-D-GalpNAc	441248
Tetradecylphosphonic acid	78401
Yohimbic Acid	72131
Semaxanib	5329098
Dichlorprop-P	119435
Rosavin	9823887
"3-Methyl-1-(2,4,6-trihydroxyphenyl)-1-butanone"	441269
2-heptylquinolin-4(1H)-one	164974
Kinetin riboside	20345
"N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide"	2455
Maclurin	68213
Lovastatin acid	64727
Oxazepam glucuronide	160870
N-Acetylserotonin	903
Pyridoxamine phosphate	1053
Indolmycin	135417159
Dobutamine	36811
D-Tryptophan	9060
Uridine-5'-diphosphate	6031
Geniposidic acid	443354
N-trans-p-Coumaroyloctopamine	23874492
Khelloside	441966
2-(3-(Trifluoromethyl)benzamido)acetic acid	2777432
Doxorubicin	31703
Zaprinast	135399235
Asp-Tyr	152455
Bufexamac	2466
Batimastat	5362422
Nitroxoline	19910
Meclocycline	54676539
Leoidin	3503223
12-Hydroxy-16-heptadecynoic acid	3082966
alpha-Bixin	5281226
Tiocarlide	3001386
Ala-Ser	1549433
3-Oxo-octanoic acid (2-oxo-tetrahydro-furan-3-YL)-amide	127293
Terbacil	22188
Moclobemide	4235
Allantoin	204
Alpha-Ketooctanoic acid	67600
Lamiide	443327
D-Amygdalin	2180
Skullcapflavone II	124211
(+)-Epicatechin	182232
Lys-Phe	151410
Quizalofop	178795
"1,2-bis(Heptanoylthio)glycerophosphocholine"	57369907
Octyl-Beta-D-Glucopyranoside	62852
3-(2-Methoxyphenyl)propanoic acid	80652
Acetic acid salicyloyl-amino-ester	445302
Chamissonolide	10019140
Capsaicin	1548943
N2-Tryptophyllysine	6452501
3-Indolebutyric acid	8617
Pendimethalin	38479
Pymetrozine	9576037
5-Bromo-1-tetralone	10889572
isorhamnetin-3-O-glucoside	5318645
"6-Chloro-7-{[2-(morpholin-4-yl)ethyl]amino}quinoline-5,8-dione"	379077
"3-[(4aS,12aR)-2-methyl-1,3,4,5,12,12a-hexahydropyrido[3,4-b]acridin-4a-yl]phenol"	9950038
2'-Deoxyguanosine-5'-diphosphate	135398595
(10)-Gingerol	168115
Glucosinalbin	9601115
4-(Methylthio)benzoic acid	83230
s-(p-Nitrobenzyl)glutathione	97538
Asperuloside	84298
Tetralithium 3-hydroxy-3-methyl-5-{[(phosphonatooxy)phosphinato]oxy}pentanoate	71311891
"Inositol 1,3-bisphosphate"	128419
12-Keto-leukotriene B4	5280876
Cinnamic Acid	444539
"Hydron;2-hydroxypropane-1,2,3-tricarboxylate"	19782904
2-Methylglutaric acid	12046
Theaspirone A	5321925
L-Erythrulose	5460032
sn-Glycerol 3-phosphate	439162
"cis-2-Hydroxypenta-2,4-dienoic acid"	5280361
Juvenile hormone II	5459796
N-Acetyl-L-glutamic acid	70914
"2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4(5H)-one"	135398698
1-O-trans-Cinnamoyl-beta-D-glucopyranose	5280653
"1D-myo-inositol 3,4,6-trisphosphate"	3081055
Aminocaproic acid	564
"(6R)-5,10-Methylenetetrahydrofolate"	135398645
5'-phosphoribosyl-N-formylglycinamide	130805
2-Phospho-D-Glyceric Acid	439278
10-Deoxymethynolide	5282031
Prephenic acid	1028
Acetic acid trans-2-hepten-1-YL ester	5363203
8-Hydroxydeoxyguanosine 5'-monophosphate	135488904
Acridine orange	62344
Faicar	166760
Methyl dihydrogen phosphate	13130
Benoxacor	62306
2'-Deoxyinosine 5'-monophosphate	135398614
2-(3-Phenylpropyl)tetrahydrofuran	62490
Glycerophosphoglycerol	439964
3-Decanone	13576
2-Methyl-3-heptanone	25611
"(6S)-5,6,7,8-Tetrahydrofolate"	135398650
Cannabigerolic acid	6449999
Furmecyclox	43359
"(5alpha,8beta,9beta)-5,9-Epoxy-3,6-megastigmadien-8-ol"	101415508
2-Octen-4-ol	5366203
Tricrozarin A	129974
Ampalex	148184
Resistomycin	135430323
"6-Chloro-1,3,5-triazine-2,4(1H,3H)-dione"	118372
Narciclasine	72376
Acid Green 25	20431
9-Fluoro-11-oxotestololactone	253326
7-Chloro-2-dibenzofuranol	11954128
8-Chloro-2-dibenzofuranol	11954124
L-Homocysteine sulfonic acid	21252279
9E-heptadecenoic acid	5312440
2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one	3973
Dcebio	656765
Fabianine	442529
Homodihydrojasmone	11137732
N-lactoyl ethanolamine phosphate	11550267
Flurazepam	3393
"Benzo[b]naphtho[2,1-d]thiophene"	9198
2-Propylpyridine	69320
Maleimide	10935
Sophoramine	169014
2-Undecyl-4(1H)-quinolinone	10063343
Indolepropanol phosphate	3713
N-Nitrosothiazolidine-4-carboxylic acid	104890
5-Chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine	443378
Chaetoglobosin N	131751214
Angustine	441983
2-Methylpropyl 3-hydroxy-2-methylidenebutanoate	546207
3-Hydroxynonyl acetate	234237
2-Oxosuberate	146903
"3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol"	242865
Pinellic acid	9858729
Savinin	5281867
Methyl dihydrojasmonate	102861
2-Octenyl acetate	12807117
"2,3-Benzofluorene"	9201
Tolmetin sodium	23665411
Homovanillin	151276
"2,4,6,8-Decatetraenoic acid dehydropiperidide"	131751450
Histrionicotoxin	6437364
Difenpiramide	100472
Piperenol C	131753163
Eudistomin H	145929
1-Chloro-2-[1-(4-chlorophenyl)ethyl]benzene	247039
Azafrin	5281225
Acronine	345512
Dubinidine	442897
Phenindamine	11291
Caffeic acid 4-sulfate	21668705
3-Methylbutyl 2-furanbutanoate	68968644
"2,4-Undecadiene-8,10-diynoic acid isobutylamide"	15609884
Loperamide	3955
L-2-Aminoadipic acid	92136
"5,6-Dimethoxysterigmatocystin"	5284386
Muconolactone	542
Tiron	9001
Morphinone	5459823
Cyclobenzaprine	2895
Kinamycin D	135440049
Phytuberin	442387
Magnolol	72300
D-Vacciniin	12444645
Panaxydol chlorohydrin	130664
Epinephrine sulfate	3035453
Carnitine C6:0	6426853
Phosphonoacetate	546
Thalidasine	159795
Prednisone acetate	91438
"N-(2,6-dimethylphenyl)hydroxylamine"	145679
Homocitric acid	28371
Benzyl acetate	8785
Acetylsalicylic acid	2244
Clionamide	23424664
N-benzoyl-4-methoxyanthranilic acid	440258
Ethyl 4-nitrophenyl ethylphosphonate	66067
Shikimate-3-phosphate	121947
Coreopsin	12303943
Octadecanedioic acid	70095
Pyronaridine	107771
"2-C-Methyl-1,4-erythrono-D-lactone"	11469098
2-((4-Methoxy-3-methyl-2-pyridylmethyl)sulfo)-5-trifluoromethyl-1H-benzimidazole	128828
Cryptopleurine	92765
Epitulipinolide diepoxide	3492908
5'-Deoxy-5'-methylthioinosine	135511888
Belladonnine	442995
Heptyl 4-hydroxybenzoate	14138
7-Mercaptoheptanoic acid	3016713
Chlorimuron-ethyl	56160
"17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione"	240768
5-Ethyl-4-methyl-2-pentyloxazole	525788
6-Hydroxymelatonin	1864
N-Acetyldemethylphosphinothricin	6337958
Currayanine	375144
Trifolin	5282149
Lumefantrine	6437380
"3,4-DI-1H-Indol-3-YL-1H-pyrrole-2,5-dicarboxylic acid"	11326613
cis-4-Decenedioic acid	9543671
Allenolic acid	96227
Obeticholic acid	447715
4-(Sulfooxy)butanoic acid	87734751
6-Acetylmorphine	5462507
Penicillin T	443392
Cinobufotalin	259776
"5-Nitro-6,7,8,9-tetrahydrobenzo(G)indole-2,3-dione-3-oxime"	4461601
"N-(2,4-diamino-6-hydroxypyrimidin-5-yl)-N-methylformamide"	135398708
Streptozocin	29327
Methylselenocysteine Se-oxide	53297416
10-Deoxymethymycin	5282032
"Rhodojaponin III 9,11-diacetate"	101306700
P Hydroxyphenyl Acetic Acid	127
Nebularine	68368
Desethylchloroquine	95478
"N,N'-Bis(3-aminopropyl)-1,3-propanediamine"	78350
coenzyme B	5462265
"7-Hydroxy-2,5-dimethyl-4H-1-benzopyran-4-one"	5316891
Dolastatin 11	354399
Epothilone C	9891226
beta-D-Glucose pentaacetate	2724702
Cerbertin	441851
D-erythro-Eritadenine	2933
N-(indole-3-acetyl)-L-leucine	688142
Perseitol	441436
aclacinomycin S	152639
Elaterinide	5901827
Protoemetine	443421
Sodium pantothenate	23679004
ent-PGF2alpha	35027306
(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]propanoic acid	1771173
"13,14-dihydro-15-keto-tetranor Prostaglandin E2"	71684706
ONO-8711	9824507
Z-Ala-asp-OH	6993141
(1-hexyl-5-phenyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone	44418307
"(e)-2-[(2s,3s)-3-Ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoic acid methyl ester"	3032504
Cycluron	16554
Dephospho-CoA	439335
Ametryn	-
"12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic Acid"	166839
Nordihydrocapsiate	9817607
Dihydroxyacetone phosphate	668
2-Naphthalenesulfonic acid	8420
LPE(0:0/20:5)	53480938
LPE(0:0/20:3)	53480934
FFA(16:0)	985
N-Acetyglutamic acid	-
"(Z)-7-[(2R)-3,5-dihydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide"	46780805
2-Benzylmalate	11229827
13-HOTE	10469728
3'-Carbamoyl-6-hydroxybiphenyl-3-yl cyclohexylcarbamate	53394762
3-(4-Hydroxyphenyl)chroman-7-ol	382975
Phenacetin	4754
2-(alpha-D-mannosyl)-3-phosphoglyceric acid	443242
Lonidamine	39562
L-cysteinyl-L-proline	3037777
"Sulfanilamide, N1-(5-methyl-1,3,4-thiadiazol-2-yl)-"	622973
"2,7-Dihydroxy-5-methyl-1-naphthoic acid"	13548877
Triclabendazole	50248
(R)-Naproxen	1302
(R)-3-Hydroxy-tetradecanoic acid	5288266
Parecoxib	119828
Bisphenol A	6623
Melibiose	872
"2,4-Dihydroxybenzophenone"	8572
10-Hydroxydecanoic acid	74300
Ciglitazone	2750
"[2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate"	11988421
Morpholin-4-ium (4-methoxyphenyl)morpholin-4-ylphosphinodithioate	53393943
"4,4'-Sulfonyldiphenol"	6626
N-Methylisoleucine	560437
Luteolin 7-glucuronide	5280601
5-Acetylamino-6-formylamino-3-methyluracil	108214
8-Chlorotheophylline	10661
Gln-Leu-Glu-Lys	-
Metamitron	38854
4-Chloro-2-nitrobenzylalcohol	1959
Ile-Asp	14304554
Dihydroconiferyl alcohol	16822
Bisindolylmaleimide i	2396
"Deoxysappanone B 7,3'-dimethyl ether"	16667741
Quinamide isopropylidene	6708787
Uridine-5'-diphosphogalactose disodium salt	23724458
Phaclofen	1641
Methyl (2S)-2-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-3-phenylpropanoate	10019206
N-[1-[4-(5-Chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]naphthalene-2-carboxamide	76453682
11-(Dansylamino)undecanoic acid	122016
Thiacloprid	115224
Glu-Val-Gln-Glu	-
Theaflavin monogallates	169167
"8-[2-(2-Carboxyethyl)-5-hydroxy-3-oxocyclopentyl]-2,2,3,3,4,4-hexadeuterio-6-oxooctanoic acid"	53394374
"3,5-Dinitrocatechol"	3870203
6-Acetamidohexanoic acid	2005
Glu-Asp-Gln-Asp	-
"9alpha,15S-Dihydroxy-11-oxothromba-5Z,13E-dien-1-oic acid"	71684421
"N,N'-Diacetylhydrazine"	72884
Quercetin-3'-glucuronide	11655911
"(2,3-Dichloro-1H-pyrrole-4-yl)(3-chloro-5-hexyl-2,6-dihydroxyphenyl) ketone"	10157237
Griseophenone B	23872096
Isopalmitic acid	36247
Glu-Asp-Lys-Glu	-
His-Phe-Ile-Lys	-
Tyr-Ser-His-Glu	-
9-nitro-9E-octadecenoic acid	11645581
"(5Z)-5-[[4-(2-thiophen-2-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione"	46233465
4-Tetradecanamidobenzylphosphonic acid	44176227
Folinic acid	135403648
"2-[(1R,5S,6R,11R,13R,16S)-6-(furan-3-yl)-11-hydroxy-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-9-en-16-yl]acetic acid"	73349765
3-(3-hydroxy-4-methoxyphenyl)propanoic acid	2752054
Apigenin 7-glucuronide	5319484
5-Hydroxypseudobaptigenin	15301053
L-Tryptophan-L-glutamine	25187914
Glu-Thr-Asp-Arg	-
Tyrphostin 23	2052
8-iso Prostaglandin E2-d4	71684627
1-Stearoyl-2-palmitoyl-sn-glycero-3-phosphocholine	18631368
Dihydroxyphenylalanine	6971033
4-Aminoantipyrine	2151
Trp-Phe	4427709
Lys-Gly	7022320
beta-D-Fructose 2-phosphate	193537
"2,7,4'-Trihydroxyisoflavanone"	11954208
"5,6-Ep-15S-HETE"	11954060
N-Acetyl-DL-glutamic acid	185
Yuzu-Lactone	10878079
5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid	131751119
"6-Hydroxymethyl-7,8-dihydropterin"	135398568
(10S)-Juvenile hormone III acid diol	23724772
"dTDP-3-O-methyl-4-oxo-2,6-dideoxy-L-mannose"	112499964
"9-Fluoro-16alpha-hydroxyandrost-4-ene-3,11,17-trione"	236828
(10S)-Juvenile hormone III diol	10859043
"3,4-Dihydroxy-3,4-dihydro-9-fluorenone"	441320
l-Histidinol phosphate	439398
3-Oxotetradecanoic acid	454064
2-Oxonioacetate	3698251
3-dehydro-D-glucose-6-phosphate	71668264
lipoyl-AMP	23724672
4-Hydroperoxy-2-nonenal	6435432
1-alpha-D-galactosyl-sn-glycerol 3-phosphate	44224013
"Methanimidamide, N'-(1,6-dihydro-6-oxo-2-pyridinyl)-N,N-dipropyl-"	159470
"(1aS)-6-Methoxy-8aalpha-hydroxy-5-methyl-8alpha-[(carbamoyloxy)methyl]-1,1aalpha,2,8,8a,8balpha-hexahydroazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione"	101651137
Apo-4'-lycopenal	50986183
Homodolicholide	13517130
"{[(2R,3S,4R,5S)-3,4,5,6-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy}phosphonic acid"	22833559
5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid	18371062
"1-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)-1H-pyrrole-2,5-dione"	248605
"[4-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxy-6-methoxyphenyl]oxidanesulfonic acid"	131831474
9-O-acetylneuraminic acid	440038
Salicin 6-phosphate	440938
N-(6-Oxo-6H-benzo(c)chromen-2-yl)methanesulfonamide	249422
Dipentyl phthalate	8561
Oxaloglutarate	440718
Mefluidide	40896
3-hydroxyhexanoyl carnitine	131770388
Luteoskyrin	30840
Didemethylchlorpromazine	74981
Ethylhexyl salicylate	8364
Linopirdine	3932
(4-Amino-2-methylpyrimidin-5-YL)methyl dihydrogen phosphate	216
"2-(2,3-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one"	131836451
(2S)-2-amino-3-oxo-4-(phosphonooxy)butanoic acid	441260
2-dehydropantoate	38
dTDP-L-rhamnose	439975
"6-({8-[2-(acetyloxy)propan-2-yl]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid"	131835386
"3-(3,5-dihydroxyphenyl)-1-(2,3,4,6-tetrahydroxyphenyl)propane-1,2-dione"	131831748
D-Mannonic acid	3246006
5-hydroxy-6-[(E)-2-methoxyethenyl]-7-methyl-2H-chromen-2-one	131839293
Ethyl butylacetylaminopropionate	104150
"3,5,7-Trihydroxy-2-(1-hydroxy-3-methoxy-4-oxocyclohexyl)-6-methoxychromen-4-one"	131835066
"2-[(1S)-2,2,3-Trimethyl-4-oxocyclopentyl]acetic acid"	71448988
3-Hydroxy-5Z-octenyl acetate	92034372
(-)-Threo-isodihomocitric acid	24892803
Daphniphylline	21627122
"2-[(2,3,4,5-Tetrahydroxybenzoyl)amino]acetic acid"	131833031
"{4,5-dihydroxy-6-[5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]oxan-3-yl}oxidanesulfonic acid"	131833638
CoM-S-S-CoB	5460331
"2,22-Dideoxy-3-dehydroecdysone"	23724770
"1-hydroxy-2-[6-(2-methylbut-3-en-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate"	131836461
"methyl {2-[(1R)-1-(3,4-dimethoxyphenyl)-4-oxocyclohex-2-en-1-yl]ethyl}methylcarbamate"	443747
"8-Hydroxy-5,6-octadienoic acid"	54042244
"1H,10H-Pyrrolo(1,2-c)purine-9,10,10-triol, 2-amino-3a,4,5,6,8,9-hexahydro-5-hydroxy-4-(hydroxymethyl)-6-imino-, 9-(hydrogen sulfate), (3aS,4R,9R,10aS)-"	92029435
"Bis(3-azidopyridinium)-1,10-decane perchlorate"	656711
"(2-{3-[3-(3,4-dihydroxyphenyl)propanoyl]-2,4,6-trihydroxyphenyl}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxidanesulfonic acid"	131836724
Geranyl phosphate	5280394
"2-(6-{2,4-dihydroxy-3-[(1E)-3-methylbut-1-en-1-yl]benzoyl}-5-(2,4-dihydroxyphenyl)-5-hydroxy-3-methylcyclohex-2-en-1-yl)benzene-1,3-diol"	131832893
7-Mercaptoheptanoylthreonine	24892802
"(1S,4aS,11R,12R,12aR)-3-carbamoyl-1-(dimethylazaniumyl)-4a,7,11,12-tetrahydroxy-11-methyl-4,5,6-trioxo-1,4,4a,5,6,11,12,12a-octahydrotetracen-2-olate"	121596245
"cyanidin 3,5-di-O-beta-D-glucoside"	165000
4-Oxohex-2-enedioate	5280500
"GDP-4-amino-4,6-dideoxy-alpha-D-mannose"	135566713
"{3-[2,3-dioxo-3-(2,3,4,6-tetrahydroxyphenyl)propyl]-2,6-dihydroxyphenyl}oxidanesulfonic acid"	131835739
"2-(3,4-Dihydroxybenzoyloxy)-4,6-dihydroxybenzoic acid"	440370
11-Hydroxyiridodial glucoside pentaacetate	443347
"2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2-hydroxy-3-oxopropyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid"	131834989
Lansic acid	21635003
"2,3-Dihydroxybenzoyl 5'-adenylate"	440201
2-Bromoacetaldehyde	105131
cis-Resveratrol 4'-O-glucuronide	71752003
"Tetrahydro-2,5-furan-diacetic acid"	13220191
1-Stearoylglycerophosphoserine	74819135
"3,4,5-trihydroxy-6-{[7-methoxy-2-oxo-6-(3-oxobut-1-en-1-yl)-2H-chromen-5-yl]oxy}oxane-2-carboxylic acid"	131835258
2-(S-Glutathionyl)acetyl glutathione	11954072
Tetracenomycin B2	443790
3-Dehydro-2-deoxyecdysone	15251159
glycitein 4'-O-glucuronide	124202362
Phosphoramide mustard	96356
Kaempferol 3-(2''-acetylrhamnoside)	44258953
"methyl (1S,4S,5R,9S,10R,13S,14S)-14-acetyloxy-5-formyl-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylate"	44566425
"Benzo[a]pyrene-7,8-oxide"	37455
"17beta-Methylestra-1,3,5(10)-trien-3-ol"	11954100
"2-({hydroxy[2,4,5-trihydroxy-3-(3,4,5-trihydroxybenzoyloxy)phenyl]methylidene}amino)acetic acid"	131834714
LPE(22:5/0:0)	348281290
Ser-Val-Asn-Glu	-
Thr-Gln-Glu-Asp	-
Fuc1-2Gal1-4GlcNAcSp	-
Arg-Thr-Ile-Glu	-
Malyngamide C acetate	49782891
Lys-Gln-Ile-Glu	-
Val-Gln-Ile-Asp	-
Ile-Tyr-Arg-Glu	-
Estradiol-17 3-sulfate	-
Asn-Tyr-Glu-Asp	-
Val-Glu-Phe-Asp	-
Tyr-Gln-Asn-Glu	-
Ile-Phe-Arg-Lys	-
Prostaglandin F2 Ethanolamide-d4	-
"3alpha,4,7,7alpha-Tetrahydro-4-hydroxy-1H-isoindole-1,3(2H)-dione"	86242667
Ile-Abu-OH	-
Carmamycin A	-
PG(16:0/18:1(9Z))[U]	-
"5(Z),8(Z),11(Z)-Eicosatrienoic Acid-d6"	-
Ala-Glu-Val-Asp	-
"16,16,17,17,18,18-Hexadeuterio-20-hydroxyicosa-5,8,11,14-tetraenoic acid"	57370047
"DODEC-2-ENE-8,10-DIYNOIC ACID ISOBUTYLAMIDE"	-
Nap-HoPhe-OH	-
"10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-one"	86705
Histidinyl-Cysteine	21839149
"4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid-O-glucuronide"	124202072
"(4-{7-[3,5-dimethoxy-4-(sulfooxy)phenyl]-6,11-dihydroxy-2,8-dioxatricyclo[7.3.1.0,(1)(3)]trideca-1(13),4,6,9,11-pentaen-3-ylidene}cyclohexa-2,5-dien-1-ylidene)oxidanium"	134159986
UDP-L-Ara4O	17756767
"2-[(1Z,3E)-5-carboxy-1-hydroxy-5-oxopenta-1,3-dienyl]benzoic acid"	23724683
"(1S,4aS,7S,7aR)-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid"	118701456
"(1R,7S,11S,13S,19S,20R,23R)-5,15,19,23-tetrahydroxy-13,20-dimethyl-8,12,21-trioxahexacyclo[17.2.2.02,18.04,16.06,14.07,11]tricosa-2(18),4,6(14),15-tetraene-3,9,17-trione"	49787012
"[(1S,15R,17R,18S,19R)-18-acetyloxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-trien-17-yl] acetate"	56928079
"Cis-8,11,14,17-Eicosatetraenoic acid"	11722594
Inosine	135398641
LPE(18:1/0:0)	53480949
D-Glucose 6-Phosphate	439284
Pyroglutamic acid	7405
Nicotinic acid adenine dinucleotide	165491
FFA(18:1)	445639
LPE(20:4/0:0)	42607465
L-Aspartic acid	5960
Lactic acid	612
Adrenic acid	5497181
L-Threonine	6288
L-Serine	5951
Inositol	892
2-Aminoethyl dihydrogen phosphate	1015
Guanosine-5'-monophosphate	135398631
Adenosine monophosphate	6083
( )12-HETE	5312983
Inosinic acid	135398640
Acitretin	5284513
Cytidine	6175
Pterostilbene	5281727
L-Tyrosine	6057
Lapachol	3884
Uracil	1174
Glycerophospho-N-Arachidonoyl Ethanolamine	71684654
Adenosine 5'-Diphosphate	6022
Canrenone	13789
"1,7-Bis(4-hydroxyphenyl)-3-heptanone"	14608480
Orotidine	92751
"2-(((R)-2,3-Dihydroxypropyl)phosphoryloxy)-N,N,N-trimethylethanaminium"	439285
Adenosine-5'-Diphosphoglucose	16218835
Uridine-5'-diphosphoglucuronic Acid (sodium salt hydrate)	-
Ribose-1-phosphate	439236
3-Hydroxyisovaleric acid	69362
( )9-HpODE	5282856
( )13-HpODE	6437847
Diethyl hydrogen phosphate	654
Caftaric acid	6440397
N-Methyltryptamine	6088
D-Xylulose 5-phosphate	439190
Dehydroascorbic acid	440667
Sedoheptulose 7-phosphate	165007
Mannose 1-phosphate	644175
Euxanthone	5281631
Fumaric acid	444972
Gliclazide	3475
L-Argininosuccinic acid	16950
Tartaric acid	444305
Tioxolone	72139
5-Hydroxyindoleacetaldehyde	74688
Glu-Phe	18653118
1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine	16081932
1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine	5497103
Oxalacetic acid	970
Estradiol cypionate	9403
1-Octadecyl Lysophosphatidic Acid	12051354
Adenosine triphosphate disodium	13803
Valproic acid glucuronide	88111
Triptophenolide	173273
"13,14-Dihydro-15-keto prostaglandin F2alpha isopropyl ester"	10178899
11-Epimisoprostol	72941572
L-3-Cyanoalanine	439742
Nb-Palmitoyltryptamine	3726592
Enalapril	5388962
Prostaglandin F2alpha methyl ester	5283102
5beta-Cholanic acid	92803
beta-D-allose	448388
Enalaprilat	5462501
"Sodium (2R)-2,3-bis(hexadecanoyloxy)propyl 2-(3-carboxypropanamido)ethyl phosphate"	46907844
Minaprine	4199
1-(2-Hydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one	5357218
4-Hydroxyisoleucine	2773624
"1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine"	9546800
"1-Oxazolo[4,5-b]pyridin-2-yl-9-octadecyn-1-one"	9977214
Raclopride	3033769
"14,15-Leukotriene C4(ExC4)"	42607491
tert-Butyl (4-(3-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)isoxazol-5-yl)phenyl)carbamate	24951314
Glucobrassicanapin	5485207
Virstatin	145949
Afzelechin	442154
2-(2-Pyridyl)-4-methylthiazole-5-carboxylic acid	214841
Taurocyamine	68340
Sulfanilic acid	8479
trans-trans-Muconic acid	5356793
Lithospermoside	10065132
Floxuridine	5790
"1,2-Ethylenediphosphonic acid"	80247
Quinalizarin	5004
L-Methionylglycine	6992930
trans-Aconitic acid	444212
4-Hydroxybutyric acid	10413
"Vitamin K1 2,3-epoxide"	5280845
"3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one"	259027
"(1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid"	5280679
"5,8-Epoxy-5,8-dihydro-10'-apo-b,y-carotene-3,10'-diol"	131752516
Pyruvaldehyde	880
"1,1-Dichloro-2,2-diphenylethane"	247739
Sudan I	13297
Gymnodimine	11649137
Dibromoacetic acid	12433
(all-E)-6'-Apo-y-caroten-6'-al	20055192
Albanol B	480819
Calcium l-aspartate	30465
Menadiol disulfate	71103
penitrem D	3035208
"3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol"	15298697
Panaxydol linoleate	131753067
Isosorbide mononitrate	27661
Nicergoline	34040
Lycodine	5462443
(2-Hydroxyethyl)phosphonic acid	89954
Diospyrin	308140
Zhebeinine	21121503
Dehydrochorismic acid	9920917
Dimethylstilbestrol	3004636
Erythrinasinate A	101426086
Citranaxanthin	6436724
Deoxylapachol	97448
"(1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol"	440399
"1,2,4,5-Tetrathiane"	520409
Cifostodine	68934
Scilliroside	441871
3-Mercaptopyruvic acid	98
PM-toxin B	159171
"4-Isopropyl-2,6-dimethyl-1,3,5-dithiazinane"	529052
Anibine	249887
Oxynarcotine	5320347
Pamidronate	4674
Cmp-nana	18292
EUK 134	45489809
"(7R*,8R*)-3-Methoxy-3',4,7,9,9'-pentahydroxy-8,4'-oxyneolignan 4-xyloside"	131752793
LPI(16:0)	42607493
LPS(18:1/0:0)	-
LPE(0:0/22:6)	53480945
LPE(0:0/18:0)	53480667
LPS(22:6)	52926281
1-Hydroxy-2-naphthoate	54675865
UDP-D-galactose	18068
LPE(22:6/0:0)	52925132
3-Deoxy-D-Lyxo-Heptopyran-2-ularic Acid	15608515
Nimesulide	4495
"(3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid"	58753595
"(S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4-benzopyrone"	442396
Cytarabine	596
"1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine"	24778876
"13,14-Dihydro-16,16-difluoroprostaglandin D2"	52224395
Glycerophosphoric acid	754
Moniliformin	40452
BW-245C	3080928
Thioctic acid	864
Uridine-5'-diphospho-N-acetylgalactosamine disodium salt	23724461
2-Hydroxysaclofen	1564
1-(1Z-octadecenyl)-sn-glycero-3-phosphocholine	24779527
"1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine"	42607430
Fosfosal	3418
Carboxyphosphamide	31515
Tyrphostin AG 126	2046
{4-[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]phenyl}oxidanesulfonic acid	131839148
Malonyl-coenzyme a	10663
xi-7-Hydroxyhexadecanedioic acid	14259008
"Benzo[a]pyrene-4,5-oxide"	37786
"6,8a-Seco-6,8a-deoxy-5-oxoavermectin''1b'' aglycone"	5282007
delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine	440722
2-Stearoylglycerophosphoinositol	131770413
"21,22-Diprenylpaxilline"	71745339
Isonicotinoylradical	12594999
1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol	71581135
Neriantogenin	12313294
"3,3'-Bipyridine-2,2',5,5',6,6'-hexol"	57339263
GDP-L-gulose	135803997
Palifosfamide	100427
"{4-[3-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]phenyl}oxidanesulfonic acid"	131832336
Haloxyfop-methyl	50896
1-Octadecanoyl-2-tetracosanoyl-sn-glycero-3-phosphocholine	24778880
"[2-methoxy-4-(3,5,6,7-tetrahydroxy-8aH-chromen-2-yl)phenyl]oxidanesulfonic acid"	131834480
Bis(glycerophospho)glycerol	440144
L-Tyrosyl-L-Threonine	25206828
Thr-Leu-Lys-Lys	-
Lys-Leu-Arg-Asp	-
Endomorphin 2	-
Phe4Cl-Ser-OH	-
Asp-Leu-Phe-Arg	-
"2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1lambdachromen-1-ylium"	-
METABOLITES_END
#END