#METABOLOMICS WORKBENCH  DATATRACK_ID:3987 STUDY_ID:ST002672 ANALYSIS_ID:AN004344
VERSION                          	1
CREATED_ON                       	07-31-2023
#PROJECT
PR:PROJECT_TITLE                 	MoTrPAC
PR:PROJECT_SUMMARY               	MoTrPAC is a national research consortium designed to discover and perform
PR:PROJECT_SUMMARY               	preliminary characterization of the range of molecular transducers (the
PR:PROJECT_SUMMARY               	"molecular map") that underlie the effects of physical activity in humans. The
PR:PROJECT_SUMMARY               	program's goal is to study the molecular changes that occur during and after
PR:PROJECT_SUMMARY               	exercise and ultimately to advance the understanding of how physical activity
PR:PROJECT_SUMMARY               	improves and preserves health. Preclinical and clinical studies will examine the
PR:PROJECT_SUMMARY               	systemic effects of endurance and resistance exercise across a range of ages and
PR:PROJECT_SUMMARY               	fitness levels by molecular probing of multiple tissues before and after acute
PR:PROJECT_SUMMARY               	and chronic exercise. This program is the largest targeted NIH investment of
PR:PROJECT_SUMMARY               	funds into the mechanisms of how physical activity improves health and prevents
PR:PROJECT_SUMMARY               	disease. The MoTrPAC program is supported by the NIH Common Fund and is managed
PR:PROJECT_SUMMARY               	by a trans-agency working group representing multiple NIH institutes and
PR:PROJECT_SUMMARY               	centers, led by the NIH Office of Strategic Coordination, National Institute of
PR:PROJECT_SUMMARY               	Arthritis and Musculoskeletal and Skin Diseases, National Institute of Diabetes
PR:PROJECT_SUMMARY               	and Digestive and Kidney Diseases, National Institute on Aging, and National
PR:PROJECT_SUMMARY               	Institute of Biomedical Imaging and Bioengineering. MoTrPAC Steering Committee:
PR:PROJECT_SUMMARY               	Wendy Kohrt, Chair, Russ Tracy, Co-Chair; NIH Program Manager, Concepcion
PR:PROJECT_SUMMARY               	Nierras. Euan Ashley and Matthew Wheeler are the PIs for the Motrpac
PR:PROJECT_SUMMARY               	Bioinformatics / Data Coordination Center.
PR:INSTITUTE                     	MoTrPAC
PR:LAST_NAME                     	Ashley
PR:FIRST_NAME                    	Euan
PR:ADDRESS                       	Falk Building CV267, 870 Quarry Road, Stanford, California 94305
PR:EMAIL                         	motrpac-data-deposition@lists.stanford.edu
PR:PHONE                         	(650) 725-1846
PR:DOI                           	http://dx.doi.org/10.21228/M8V97D
#STUDY
ST:STUDY_TITLE                   	MoTrPAC: Endurance exercise training study in young adult rats, Tissue:Lung -
ST:STUDY_TITLE                   	Untargeted Reversed-Phase Negative
ST:STUDY_SUMMARY                 	The goal of the endurance exercise training study in young adult rats (internal
ST:STUDY_SUMMARY                 	code: PASS1B-06) was to perform exercise training studies in adult (6 month)
ST:STUDY_SUMMARY                 	F344 rats, and from these rats collect as many tissues as feasible in order to
ST:STUDY_SUMMARY                 	provide high quality samples for detailed analysis by chemical analysis sites.
ST:STUDY_SUMMARY                 	Tissues were collected from 10-12 rats sedentary control rats concurrent with
ST:STUDY_SUMMARY                 	the collection of the 8-week training groups. The 8-week training group and
ST:STUDY_SUMMARY                 	controls were from the same cohort and same age at euthanasia (either 8). For
ST:STUDY_SUMMARY                 	the older age group, an additional set of controls (n=5-6) were collected with
ST:STUDY_SUMMARY                 	the 1-2 week training group. Rats were either sedentary or underwent an exercise
ST:STUDY_SUMMARY                 	training program. Rats were exercised on the rodent treadmill 5 days per week
ST:STUDY_SUMMARY                 	using a progressive training protocol designed to exercise the rats at
ST:STUDY_SUMMARY                 	approximately 70% of VO2max as outlined in the Table on the next page. Training
ST:STUDY_SUMMARY                 	was performed no earlier than 10:00 am and no later than 5:00 pm over 5
ST:STUDY_SUMMARY                 	consecutive days per week. Training was initiated with the treadmill set at 70%
ST:STUDY_SUMMARY                 	of VO2 max (see tables) and 5 degrees grade for 20 minutes. The duration of
ST:STUDY_SUMMARY                 	exercise was increased by one minute each day until day 31 of training (start of
ST:STUDY_SUMMARY                 	week 7), when a duration of 50 min was reached. Speed and grade of each training
ST:STUDY_SUMMARY                 	session increased in larger increments due to treadmill parameters. The highest
ST:STUDY_SUMMARY                 	intensity and duration of training began on day 31. This intensity was
ST:STUDY_SUMMARY                 	maintained for the final 10 days of the protocol to ensure steady state had been
ST:STUDY_SUMMARY                 	achieved. If any rats were unable to perform at least 4 days of training per
ST:STUDY_SUMMARY                 	week they were removed from the study and euthanized. It is important to note
ST:STUDY_SUMMARY                 	that the starting treadmill speed varied depending on the sex and age of the
ST:STUDY_SUMMARY                 	rat. The initial and maximum speeds were based on VO2max measurements obtained
ST:STUDY_SUMMARY                 	during the pre-training testing of the compliant rats. Rats assigned to the
ST:STUDY_SUMMARY                 	control group followed a schedule similar to the training group. They were
ST:STUDY_SUMMARY                 	placed in one lane on the treadmill for 15 minutes/day, 5 days per week. The
ST:STUDY_SUMMARY                 	treadmill was set at 0 m/min at an incline that corresponded to the incline
ST:STUDY_SUMMARY                 	being used by the training group.
ST:INSTITUTE                     	University of Michigan
ST:DEPARTMENT                    	Biomedical Research Core Facilities
ST:LABORATORY                    	Metabolomics core
ST:LAST_NAME                     	Burant
ST:FIRST_NAME                    	Charles
ST:ADDRESS                       	6120 Brehm Tower,1000 Wall St., Ann Arbor, MI, 48105-5714
ST:EMAIL                         	burantc@med.umich.edu
ST:PHONE                         	(734) 232-0842
ST:SUBMIT_DATE                   	2023-05-02
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Rattus norvegicus
SU:TAXONOMY_ID                   	10116
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
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SUBJECT_SAMPLE_FACTORS           	BC49E4EF-E2FE-4269-BAF0-461F768BD95D	90217016606	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-S00042280-90217016606-N.zip
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SUBJECT_SAMPLE_FACTORS           	90CFE5A4-76FE-4458-A2B1-A66F0B60118E	90232016606	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-S00042287-90232016606-N.zip
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SUBJECT_SAMPLE_FACTORS           	FCE9ABE6-B60B-4934-BAE5-56AF8B11ECEC	90239016606	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-S00042289-90239016606-N.zip
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SUBJECT_SAMPLE_FACTORS           	-	CS00000MP-02	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-CS00000MP-02-N.zip
SUBJECT_SAMPLE_FACTORS           	-	CS00000MP-03	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-CS00000MP-03-N.zip
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SUBJECT_SAMPLE_FACTORS           	-	CS00000MP-07	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-CS00000MP-07-N.zip
SUBJECT_SAMPLE_FACTORS           	-	CS00000MP-08	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-CS00000MP-08-N.zip
SUBJECT_SAMPLE_FACTORS           	-	CS00000MP-09	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-CS00000MP-09-N.zip
SUBJECT_SAMPLE_FACTORS           	-	CS00000MP-7a	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-CS00000MP-7a-N.zip
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SUBJECT_SAMPLE_FACTORS           	-	CS0UMRG01-01	Group:QC-ReCAS | Timepoint:0 hour | Sex:-	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-CS0UMRG01-01-N.zip
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SUBJECT_SAMPLE_FACTORS           	-	CSMR80017-01	Group:QC-Reference | Timepoint:0 hour | Sex:-	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-CSMR80017-01-N.zip
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SUBJECT_SAMPLE_FACTORS           	-	CSMR80017-04	Group:QC-Reference | Timepoint:0 hour | Sex:-	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-CSMR80017-04-N.zip
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SUBJECT_SAMPLE_FACTORS           	6527EC12-E7EB-4F17-BF0A-0AC7CD1819A0	90441016606	Group:Training | Timepoint:2 weeks of training | Sex:Male	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-S00042316-90441016606-N.zip
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SUBJECT_SAMPLE_FACTORS           	89D6F615-D17C-4EB9-88EB-A602940FF179	90416016606	Group:Training | Timepoint:4 weeks of training | Sex:Female	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-S00042308-90416016606-N.zip
SUBJECT_SAMPLE_FACTORS           	FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6	90420016606	Group:Training | Timepoint:4 weeks of training | Sex:Female	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-S00042309-90420016606-N.zip
SUBJECT_SAMPLE_FACTORS           	22D700B9-EDD0-4BC8-8155-EB9C39417F81	90280016606	Group:Training | Timepoint:4 weeks of training | Sex:Male	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-S00042300-90280016606-N.zip
SUBJECT_SAMPLE_FACTORS           	1CA4210C-3CE6-4A5A-996B-673EBDEB3B81	90281016606	Group:Training | Timepoint:4 weeks of training | Sex:Male	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-S00042301-90281016606-N.zip
SUBJECT_SAMPLE_FACTORS           	9F3E1040-D409-421E-B635-2572DC20ED89	90283016606	Group:Training | Timepoint:4 weeks of training | Sex:Male	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-S00042302-90283016606-N.zip
SUBJECT_SAMPLE_FACTORS           	569A9229-04E8-414A-A195-FE9E8F1B66AB	90289016606	Group:Training | Timepoint:4 weeks of training | Sex:Male	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-S00042303-90289016606-N.zip
SUBJECT_SAMPLE_FACTORS           	E4271AF1-899A-4A65-9D8D-BF18CEE3F1CF	90292016606	Group:Training | Timepoint:4 weeks of training | Sex:Male	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-S00042304-90292016606-N.zip
SUBJECT_SAMPLE_FACTORS           	0D5071F5-D166-4CF1-BE8B-EB4DF6E04C0E	90251016606	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-S00042292-90251016606-N.zip
SUBJECT_SAMPLE_FACTORS           	2479BEE5-2A38-4D09-B15B-B1715F561A9F	90254016606	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-S00042294-90254016606-N.zip
SUBJECT_SAMPLE_FACTORS           	0A4A7935-3AF4-463F-84E3-DCF07671509D	90258016606	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-S00042295-90258016606-N.zip
SUBJECT_SAMPLE_FACTORS           	04C84D7E-FC8C-422F-AE4B-CAFADB63407B	90259016606	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-S00042296-90259016606-N.zip
SUBJECT_SAMPLE_FACTORS           	2B969165-1A52-43AA-8FD9-39AFA62F094F	90267016606	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-S00042299-90267016606-N.zip
SUBJECT_SAMPLE_FACTORS           	0BD282C7-7832-4581-9089-08A32D557034	90218016606	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-S00042281-90218016606-N.zip
SUBJECT_SAMPLE_FACTORS           	955498F4-70A0-4D50-A2BA-619A8FED8FEF	90222016606	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-S00042282-90222016606-N.zip
SUBJECT_SAMPLE_FACTORS           	CFE06932-9314-4BCC-B2D9-73883D5FCDFB	90223016606	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-S00042283-90223016606-N.zip
SUBJECT_SAMPLE_FACTORS           	3719CB62-B551-49BE-94A0-E51DFE13D30D	90225016606	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-S00042284-90225016606-N.zip
SUBJECT_SAMPLE_FACTORS           	F65955CE-E49F-48C7-B861-02A2FDF6F9B8	90227016606	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	Sample_Data:raw_file=20191025-EX00979-A003-IN0028-S00042285-90227016606-N.zip
#COLLECTION
CO:SAMPLE_TYPE                   	Lung
#TREATMENT
TR:TREATMENT_SUMMARY             	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	See SOP
SP:SAMPLEPREP_PROTOCOL_FILENAME  	pass1b_experimental_design_metabolomics.pdf
#CHROMATOGRAPHY
CH:METHODS_FILENAME              	pass1b_rpneg_rppos_ionpneg_methods.pdf
CH:INSTRUMENT_NAME               	Agilent 1290 Infinity II
CH:COLUMN_NAME                   	Waters Acquity HSS T3 (100 x 2.1mm, 1.8um)
CH:COLUMN_TEMPERATURE            	55C
CH:FLOW_GRADIENT                 	Linear ramp from 0% to 100% B from 0-10 minutes, hold 100% B until 17 minutes,
CH:FLOW_GRADIENT                 	linear return to 0% B from 17 to 17.1 minutes, hold 0% B until 20 minutes
CH:FLOW_RATE                     	0.45 ml/min
CH:SOLVENT_A                     	100% water; 0.1% formic acid
CH:SOLVENT_B                     	100% methanol; 0.025% formic acid
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent 6545 QTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:MS_COMMENTS                   	See SOP protocol MiCAS_SOP004_Data post-processing and QC_v2_20190904.pdf
MS:ION_MODE                      	NEGATIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	peak area
MS_METABOLITE_DATA_START
Samples	90245016606	90248016606	90252016606	90265016606	90266016606	90217016606	90229016606	90232016606	90237016606	90239016606	CS00000PB-01	CS00000PB-02	CS00000PB-03	CS00000PB-04	CS00000SB-02	CS00000SB-03	CS00000SB-04	CS00000SB-05	CS00000MP-01	CS00000MP-02	CS00000MP-03	CS00000MP-04	CS00000MP-05	CS00000MP-06	CS00000MP-07	CS00000MP-08	CS00000MP-09	CS00000MP-7a	CS0000OP0-01	CS0000OP0-02	CS0000OP0-03	CS0000OP0-04	CS0000OP0-05	CS0000OP0-06	CS0000OP0-07	CS000QCMP-01	CS000QCMP-02	CS000QCMP-03	CS000QCMP-04	CS0UMRG01-01	CS0UMRG01-02	CS0UMRG01-03	CS0UMRG01-04	CSMR80016-01	CSMR80016-02	CSMR80016-03	CSMR80016-04	CSMR80017-01	CSMR80017-02	CSMR80017-03	CSMR80017-04	90559016606	90560016606	90564016606	90567016606	90571016606	90421016606	90422016606	90423016606	90426016606	90430016606	90576016606	90578016606	90581016606	90585016606	90587016606	90439016606	90441016606	90444016606	90449016606	90450016606	90406016606	90410016606	90412016606	90416016606	90420016606	90280016606	90281016606	90283016606	90289016606	90292016606	90251016606	90254016606	90258016606	90259016606	90267016606	90218016606	90222016606	90223016606	90225016606	90227016606
Factors	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	Group:QC-Blank | Timepoint:0 hour | Sex:-	Group:QC-Blank | Timepoint:0 hour | Sex:-	Group:QC-Blank | Timepoint:0 hour | Sex:-	Group:QC-Blank | Timepoint:0 hour | Sex:-	Group:QC-Blank | Timepoint:0 hour | Sex:-	Group:QC-Blank | Timepoint:0 hour | Sex:-	Group:QC-Blank | Timepoint:0 hour | Sex:-	Group:QC-Blank | Timepoint:0 hour | Sex:-	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	Group:QC-Pooled | Timepoint:0 hour | Sex:-	Group:QC-Pooled | Timepoint:0 hour | Sex:-	Group:QC-Pooled | Timepoint:0 hour | Sex:-	Group:QC-Pooled | Timepoint:0 hour | Sex:-	Group:QC-Pooled | Timepoint:0 hour | Sex:-	Group:QC-Pooled | Timepoint:0 hour | Sex:-	Group:QC-Pooled | Timepoint:0 hour | Sex:-	Group:QC-Pooled | Timepoint:0 hour | Sex:-	Group:QC-Pooled | Timepoint:0 hour | Sex:-	Group:QC-Pooled | Timepoint:0 hour | Sex:-	Group:QC-Pooled | Timepoint:0 hour | Sex:-	Group:QC-ReCAS | Timepoint:0 hour | Sex:-	Group:QC-ReCAS | Timepoint:0 hour | Sex:-	Group:QC-ReCAS | Timepoint:0 hour | Sex:-	Group:QC-ReCAS | Timepoint:0 hour | Sex:-	Group:QC-Reference | Timepoint:0 hour | Sex:-	Group:QC-Reference | Timepoint:0 hour | Sex:-	Group:QC-Reference | Timepoint:0 hour | Sex:-	Group:QC-Reference | Timepoint:0 hour | Sex:-	Group:QC-Reference | Timepoint:0 hour | Sex:-	Group:QC-Reference | Timepoint:0 hour | Sex:-	Group:QC-Reference | Timepoint:0 hour | Sex:-	Group:QC-Reference | Timepoint:0 hour | Sex:-	Group:Training | Timepoint:1 week of training or control time | Sex:Female	Group:Training | Timepoint:1 week of training or control time | Sex:Female	Group:Training | Timepoint:1 week of training or control time | Sex:Female	Group:Training | Timepoint:1 week of training or control time | Sex:Female	Group:Training | Timepoint:1 week of training or control time | Sex:Female	Group:Training | Timepoint:1 week of training or control time | Sex:Male	Group:Training | Timepoint:1 week of training or control time | Sex:Male	Group:Training | Timepoint:1 week of training or control time | Sex:Male	Group:Training | Timepoint:1 week of training or control time | Sex:Male	Group:Training | Timepoint:1 week of training or control time | Sex:Male	Group:Training | Timepoint:2 weeks of training | Sex:Female	Group:Training | Timepoint:2 weeks of training | Sex:Female	Group:Training | Timepoint:2 weeks of training | Sex:Female	Group:Training | Timepoint:2 weeks of training | Sex:Female	Group:Training | Timepoint:2 weeks of training | Sex:Female	Group:Training | Timepoint:2 weeks of training | Sex:Male	Group:Training | Timepoint:2 weeks of training | Sex:Male	Group:Training | Timepoint:2 weeks of training | Sex:Male	Group:Training | Timepoint:2 weeks of training | Sex:Male	Group:Training | Timepoint:2 weeks of training | Sex:Male	Group:Training | Timepoint:4 weeks of training | Sex:Female	Group:Training | Timepoint:4 weeks of training | Sex:Female	Group:Training | Timepoint:4 weeks of training | Sex:Female	Group:Training | Timepoint:4 weeks of training | Sex:Female	Group:Training | Timepoint:4 weeks of training | Sex:Female	Group:Training | Timepoint:4 weeks of training | Sex:Male	Group:Training | Timepoint:4 weeks of training | Sex:Male	Group:Training | Timepoint:4 weeks of training | Sex:Male	Group:Training | Timepoint:4 weeks of training | Sex:Male	Group:Training | Timepoint:4 weeks of training | Sex:Male	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	
2-hydroxybutyrate	72163.3721	106933.2778	161231.4922	63389.7804	91883.5777	159403.0745	90205.7674	60923.8993	132735.7665	59293.0370									97549.4673	98730.9841	83772.2427	106332.4855	101303.6657	107935.6777	118872.3320	107961.6757	121858.6559	162513.0127	168911.8816	144091.1004	170087.7490	146096.8692	150158.9408	149899.1459	168083.7442	93007.7474	110057.3181	101565.3862	96721.6692	167960.3871	168811.8096	149787.0572	159982.0800	194113.9887	162483.6391	186151.7494	170801.6529	79743.0281	80997.3404	83926.3083	85595.8476	73271.2361	72498.6944	93062.5479	73073.8393	88774.1160	82175.0613	84134.9155	41315.4683	55457.2651	50290.5544	76704.9197	79766.5926	121917.6129	101022.3808	102758.8200	101029.4014	61334.3663	82996.4095	51388.8045	51898.1928	56676.9598	70655.8739	55136.8030	66511.1694	55470.6206	49931.2395	47907.0268	114512.4121	72703.6504	81162.1366	128272.7136	105885.5847	57012.1456	47000.5769	70083.2755	64148.5739	49740.1129	44583.4907	83662.7313	48898.7135
3_4-dihydroxybenzoate	14565.4196	14344.9502	10823.5936	19915.7291	21924.0106	12936.2004	16485.5104	13380.4547	23469.2983	14808.7960									12755.9179	12529.0915	11498.3277	12424.4338	11602.3491	11237.3009	12129.7511	11647.2463	13183.1246	11728.1805	10071.5631	12945.7110	12320.6344	12554.9601	12343.7402	13902.3795	12700.8906	11483.2909	11396.0221	12639.6474	12666.3746	3757.0127	5161.1910	4707.4235	5790.8461	20497.3573	21374.1584	24934.6485	26053.2390	15178.2446	14971.1774	17684.2783	18289.6686	10000.0824	15194.6179	9106.8175	18181.2056	11502.5716	15449.7178	11623.9921	17541.2473	14784.0870	15017.4265	10474.9165	16832.5942	9815.8410	12458.1961	17498.6763	12977.6570	21227.6597	13077.6955	14390.6903	16511.4909	12759.7947	18659.4395	15143.0399	12841.0996	20371.0672	11185.6569	19149.3159	9564.4457	13571.2605	12411.7341	14523.9639	18033.5903	15699.4370	21582.4756	28452.8921	11395.4758	9671.5872	13055.2707	14616.7603	16181.9611
3-hydroxybutyrate	224892.8401	188463.0578	227992.9528	89865.3696	188411.4388	76581.0649	74863.5600	68268.6615	75242.4398	54232.5130									133771.0325	125004.4018	144028.7650	131814.3399	146757.2750	136307.0197	139295.9507	162085.0598	129553.7860	124228.1128	125516.2925	119462.6875	119362.6478	107192.6379	117923.5122	124507.3889	106179.2921	127919.1585	141443.4184	149516.8828	146224.8095	265980.1261	287941.9409	244268.4672	316474.1548	131647.7643	128016.9062	119750.2095	115932.2464	53267.9939	55082.5897	52520.4361	48809.1696	262076.3913	139912.3179	232728.5542	207002.8774	230313.9910	65368.4711	62583.5963	71228.4391	67540.5068	77035.3523	211376.1115	198374.9231	212132.8334	200933.1429	282772.6713	122741.7605	65322.6581	121147.9322	56310.5859	74119.1991	125681.2816	184013.3046	116028.1872	111341.8593	172240.4104	104421.0444	75647.8000	92518.0884	70481.5297	59858.1809	285903.7597	210395.7273	169520.6233	113097.5783	134921.5373	66827.1920	61036.8901	69995.7030	96075.1947	63834.3207
3-methyl-2-oxovalerate	150850.6687	86409.5183	99291.5050	50599.4142	65466.4281	47737.1063	101635.9826	76750.6331	93471.4211	75012.9954									76770.5680	93319.7395	79198.1839	96164.3556	78794.7211	88913.7658	87004.5327	92153.7084	109856.3246	75323.3305	106058.9780	69369.5133	67660.2788	66142.6866	90812.0990	85288.2144	86681.6568	76956.7163	91072.7664	97232.6283	92297.0284	169497.7324	189021.0479	192718.7212	181764.7166	146555.6686	142928.9778	181345.4494	168912.8940	52346.3594	67187.2898	74574.5893	71492.1354	65578.6088	57420.0353	90688.6361	111391.6896	83416.2179	77396.7122	67024.4122	90857.6776	71010.2187	76314.2017	56765.8342	100583.0576	129046.1505	114653.0020	111959.4544	91654.2324	59345.0674	107951.6823	62855.3403	57740.2912	87533.9591	69813.1927	91088.7640	69938.5861	62315.5577	70481.7220	90088.9534	81437.9707	77932.1937	68291.4363	116267.0210	92568.7412	77076.5874	85877.9678	98982.8486	65497.7364	85357.5730	73684.9682	81970.8234	91962.6636
alpha-muricholate	254358.2259	76940.5265	200907.6095	56768.3186	104988.7629	90687.9752	165216.3603	88592.9087	105730.7243	118552.4321									105388.1121	109625.5340	116933.2021	115313.6409	114753.2172	109815.1702	112524.6977	119917.9627	126713.9176	98466.0733	98019.9469	88903.5277	89449.2483	94982.5313	90055.5520	110875.4979	98860.0218	106307.6712	105592.1912	105548.5680	115758.9496	30024.4765	30241.1209	29985.9736	28800.7819	102905.2570	114984.1945	113008.3575	110730.6663	141353.4560	159702.8094	165862.5130	182510.9306	27167.5688	6396.6953	621572.2444	202313.9819	136789.7805	58401.6449	79405.4013	10829.0765	86612.6543	9364.0550	13504.2460	53149.9410	236098.0979	35098.4269	56049.7537	20088.3830	89242.5406	403632.6908	56472.7361	63991.2813	268372.4892	75682.7670	119227.0138	81850.2875	96256.7157	53578.1863	70622.1416	68264.2089	22702.1961	35607.2898	145815.0814	86489.6199	49008.8899	51738.3133	162890.6876	54671.2192	139341.1341	57030.7298	53384.2981	160929.7086
AMP	11538466.0242	18078618.9648	12791860.2491	20835379.7674	14966326.6708	20973416.3519	17184635.0052	18414605.9952	26896888.7913	28212206.6126									17836054.3180	18430912.2876	20611822.6602	20565548.5136	20236449.5448	19411843.5006	20171038.1007	20512668.0931	21074479.4131	17758901.7756	18346516.0839	17453404.3629	17768271.5891	18199402.3317	17097424.7672	21018463.4725	18689373.9924	18516593.8486	19577215.9543	18556858.9952	20584067.4955	672279.7886	653605.9939	691251.0297	705314.0619	18190414.2518	19414426.1290	19288264.8175	18974920.9736	20730119.7730	22558487.9347	23546539.0531	25784732.9450	6814173.0453	17305482.7945	16157518.6062	15120905.5417	17187292.4994	11567152.9130	11769938.9964	17377722.5665	15098855.0511	18206145.0654	6664787.5977	17755061.1637	19098188.5656	15211447.5429	17985957.7911	17871729.6860	15227172.4081	22260957.7618	10664458.7088	11474433.7565	11878558.4140	13148634.3183	20862486.7236	14564150.0024	17886819.0894	13626373.4078	38318939.0921	15289487.1673	10669775.7416	17523443.0274	13294480.2619	18983483.5356	11561144.7299	13649326.2619	14961739.8906	10111139.9534	10837007.3934	22632877.1451	22571996.7374	13491136.8668
aspartate	270540.2572	277370.4682	238465.2309	225099.2075	201466.1067	284471.9315	201597.3370	190066.3661	235762.3117	188997.7000									198471.9304	188695.7858	189165.4370	181847.1978	170874.4064	183952.7212	183997.0404	186990.2472	188799.3165	218248.7409	227193.4613	226600.4930	220103.0101	219294.8411	260818.1127	259105.9001	221344.4646	192694.4697	186519.0947	178498.3681	180214.9800	37458.1731	34058.3316	30812.6048	33867.2404	187860.6808	195729.7006	170158.5577	170423.9888	238025.3232	243031.1001	236212.1209	237774.0936	246796.7916	234647.5803	240442.5693	232076.1337	251438.6740	215825.8807	189237.6657	203631.8918	163401.9277	214456.0714	189779.6981	200039.0483	194849.2081	241847.9188	265900.5481	184902.5529	199695.2024	213313.0649	154033.7865	172066.4421	197071.1232	249556.5171	211395.8183	183824.3471	221570.1815	179174.1746	226533.4914	194793.5693	156392.9641	174031.1531	235194.5149	215162.7792	212898.7322	222881.4456	225294.3435	156559.5249	202969.9134	187427.1496	185183.4697	190167.3253
beta-muricholate	2709197.1185	10720.6239	49324.1300	335842.2442	482660.3478	18861.0053	234736.0892	25199.0052	17986.3868	5154.5873									509423.6287	512100.6168	501393.5706	482178.9032	487951.7773	485978.3119	483208.6648	489631.9898	546864.2013	430649.3763	414731.0598	395878.4710	380629.4989	392518.4688	390976.4121	381350.3644	386832.9260	506019.3408	481648.3247	476078.5436	498677.2315	285146.0999	285947.8499	297374.5730	293453.6915	395693.6334	401763.3982	405950.2983	423407.2401	914316.4755	924063.5976	969282.9364	952244.1101	18169.4248	10844.7833	4648582.6673	3487930.5855	2888334.8489	14053.6676	71394.1909	6654.4101	141157.1904	5140.7319	9550.9385	717743.8088	4873873.4300	73060.7494	454043.2354	5740.2402	19190.1530	2398788.2513	230865.4492	190332.1171	1978513.5086	159497.9638	188201.8298	548018.6844	21598.2737	17923.7089	9107.8137	8219.3399	3445.6336	6317.0116	43388.3644	74553.3248	38969.0461	16938.1731	1024324.9742	8518.1243	287012.2189	4400.5033	7620.2841	126597.8077
chenodeoxycholate	298475.3412	106685.6766	203943.3922	236170.8176	148793.7917	137724.9008	183618.7384	112743.4013	104562.9668	183969.6205	19764.0000	17537.0000	19853.0000	15290.0000	21417.0000	353139.0000	21940.0000	16358.0000	266566.4751	136866.4151	318003.1121	345940.7150	283186.8462	260756.0712	329930.6723	609074.4565	159271.1564	306730.6609	469845.3692	685717.4294	593716.3220	635950.5268	926375.4142	833546.0046	700431.0203	489454.2572	612129.9206	657188.5144	261290.7763	432486.3802	488221.4047	403852.2875	395445.4321	90198.2293	82158.9016	92599.8075	93097.4536	137541.2999	169889.4443	167362.4638	166462.0077	174638.4752	101161.5907	527992.6730	347222.0739	524794.6411	101573.1341	145894.1667	189274.0148	142309.3103	70498.6943	206161.8242	295341.0784	592989.9344	166840.7800	346902.7881	225183.6862	131197.4528	300986.7117	134018.8166	111273.8310	231702.5252	113309.2887	193134.5783	90959.5404	92214.6127	80246.6805	100053.1336	100887.7185	144102.6392	130940.0983	117108.6191	170283.0215	59899.7953	79912.4477	201433.3755	135840.8259	186506.1359	65019.1620	102515.0382	132447.3702
cholate	2709197.1185	10720.6239	49324.1300	335308.4906	482660.3478	18666.7288	234522.1013	25199.0052	17926.3370	4930.2619									510689.9544	511399.0647	498413.6288	481763.9349	482733.8053	479357.3309	477834.6923	486415.8182	542726.8921	427206.5536	411905.3742	387586.2616	375442.4467	389732.8228	384901.1608	374665.7185	381697.0060	501680.4217	477705.9150	472141.3324	498012.4640	282653.3001	267684.5787	293434.3322	275402.5678	392444.9877	396657.9793	403928.2065	421213.1294	913877.7967	923033.8283	963066.9636	943376.9015	18021.2306	10844.7833	4648582.6673	3487930.5855	2888334.8489	13886.1566	71394.1909	6654.4101	140808.6066	5039.8751	9550.9385	717248.8388	4871082.6039	72841.5032	454043.2354	5584.7020	18901.4696	2394676.1145	230865.4492	190332.1171	1973928.2470	159497.9638	187995.5040	547228.6013	21598.2737	17709.8014	9107.8137	8219.3399	3445.6336	6317.0116	43388.3644	74390.4383	38702.9013	16868.7082	1024324.9742	8518.1243	287012.2189	4343.2564	7541.3564	126314.5799
cis-aconitate	92955.7915	31613.7532	53492.0404	72246.9681	55294.7201	42665.5338	29571.1547	27946.5190	29844.5061	79911.4763									63260.3142	34441.9920	39681.2020	31936.7456	29713.3791	26226.7376	32196.6545	65521.4859	72807.7741	82968.5384	29656.6056	71660.0711	24318.8320	54369.1848	58492.9146	36038.0263	25093.6397	34771.2100	38923.0111	32121.5131	96807.0863	17345.3076	20078.0524	22699.5533	23457.2870	45892.3694	64991.7942	112612.7239	112106.6162	79912.9761	42349.3330	25101.1452	62575.1517	68242.8595	26960.5335	46329.5389	63899.3363	29021.6656	37318.6666	50279.0017	61034.8455	9793.8966	44779.5133	44383.9057	89930.5223	20640.9134	58725.4255	28281.9190	33781.7620	44373.3254	33345.1809	66080.1383	38180.0541	25428.6839	70991.5617	29615.3479	54648.3273	35667.7425	22729.2084	29068.0194	79929.8442	55317.4758	79626.8080	85632.8703	82470.4067	52890.9533	49319.8186	94591.4783	53159.5901	28131.3337	26658.3825	38650.3883	27314.1600
citrate	4621917.1915	3957252.1649	4821153.4927	4316602.8943	4513073.0643	4439512.2479	3989398.0249	3881388.8376	4334137.3056	4488794.0420									4449190.9038	4310803.8877	4246783.2412	4266407.4888	4182838.3276	4269819.4122	4267537.4760	4240324.4881	4222287.7637	4309427.6608	4397763.2854	4422260.4784	4442633.0783	4377012.8265	4446948.4688	4390401.0298	4410507.3204	4302705.4046	4198940.6564	4260133.6968	4213618.5160	1697002.5141	1691494.7742	1701220.5985	1668547.2744	5555949.9527	5477158.3943	5515958.6418	5523677.5094	3543789.6146	3598281.8599	3570315.5531	3563586.5456	4511360.7958	4514878.8406	4886868.9746	4588377.9456	4790755.7446	3673678.5382	3833588.1756	4407281.2984	3263020.3832	3463614.5435	3974001.6159	5163724.8074	4865468.2439	4583158.7598	4584611.5369	4336372.4900	3968051.5385	4466060.1210	3387550.0822	3458558.6876	3661803.3722	4574198.7892	4642249.3878	3765348.9286	4909568.5947	3275725.7677	4643613.9774	4136099.0552	3060890.2433	3495350.9435	5536999.8632	4409139.6428	3759900.8023	4001554.3425	4261504.2123	3057320.0806	3343285.4013	3645092.4493	3429603.5335	3652759.4016
deoxycholate	137155.2430	62909.1790	90423.4683	77030.5324	52926.5068	44886.6216	126150.9875	62318.4018	41020.2715	86884.9524									111565.8687	102362.3424	107194.3071	98629.0115	102457.8312	87804.7704	98560.9582	116886.3333	95123.0178	110766.5298	113912.1317	87029.9115	93738.8757	91455.1331	99911.9546	87219.8340	87438.7021	132408.4413	77351.1239	128910.1129	86547.8538	101815.6339	104533.2866	100529.3191	103866.1069	74157.5610	75209.2429	60412.1364	65902.9588	126999.6530	123785.9291	112375.1233	117350.8935	72268.7265	35811.0718	309785.3899	110630.5203	325797.5376	26431.4257	79415.8860	101806.0042	42683.4374	51328.9551	133794.0139	105186.3692	153781.2326	79003.7923	142087.1614	54793.1991	41462.8129	99375.0509	48208.8759	64053.3347	82657.2803	46348.3623	93646.0043	50660.6538	60126.8736	47422.6082	61344.9384	71661.9657	58341.7561	73311.3500	74266.5081	75861.9158	26147.7919	38596.8546	68835.9750	28304.7018	68129.3930	39791.3017	31503.0895	86955.9952
deoxycytidine	8581.9165	5334.4568	7852.5036	4393.9038	8432.7705	8425.0591	13092.2625	10052.0390	14467.2448	5399.3064									8980.8931	8270.8171	8208.7807	8713.1515	9689.2810	8777.9479	8895.0473	8404.3038	8696.7780	8238.3395	7514.2395	6937.1803	7716.5213	8479.5483	8785.1267	7271.1987	9363.2443	7353.3610	8434.3431	8322.7363	9277.8933	3545.6054	3530.3949	3919.5421	4265.3540	6284.9159	7333.7697	7132.3237	7326.5168	7758.5197	8173.2958	8735.8756	10245.7090	6899.8542	6520.1732	7370.6209	8040.8404	8206.6401	12449.3236	10861.5385	10533.6846	11949.6612	10083.6771	7140.6527	8487.4140	8760.7563	5852.2387	7838.2359	9875.5462	12324.9237	13687.9063	9178.4032	9981.6304	8876.0001	4889.3125	7828.2202	5978.5136	5747.3997	9522.2761	8047.3639	10529.4119	11663.6312	10937.8158	7317.4844	10242.0283	6196.5429	7550.5595	6419.6563	8599.5960	9247.7244	6752.8939	7298.2511	5846.0253
FA(10:0-COOH)	12513.6359	9643.0959	13470.8870	11716.0266	12278.8041	15188.8721	13419.5939	9157.9460	10734.0676	11887.1136	5778.0000	6694.0000	6908.0000	7263.0000	6347.0000	5830.0000	5094.0000	5350.0000	19838.4897	20445.0445	25056.9317	20681.7745	18571.0088	20330.6285	21425.1467	18204.5342	21351.2449	22130.0023	22363.4450	23459.7422	62621.1683	20672.7466	20568.6152	23981.0938	23199.5135	21059.3265	21880.4057	21336.2083	24318.4636	44749.6759	41308.0602	33105.9191	42031.1736	15484.8728	15654.1260	18540.2786	14867.5083	8884.5595	9494.4101	11409.5972	9420.9119	14823.7307	11276.4214	16678.9529	14913.4089	16964.3858	10714.9497	11688.7566	10443.9931	10919.3989	11187.3774	10001.1958	13573.5602	12352.6200	11645.1923	18286.8530	10424.8250	11080.9373	14497.0958	9086.3431	8584.3656	9958.8882	11835.8420	12894.4515	9212.0189	10707.8317	13997.7866	9770.8924	11969.1352	7107.3223	7765.2526	14571.9373	14281.4949	10178.7213	13950.5385	13657.2333	9633.3756	13254.6665	8243.3107	9563.8109	13468.3572
FA(10:0-OH)	8787.0316	7774.0136	6790.2613	8429.8180	8756.5479	7867.9062	7181.2316	6879.2972	6274.4269	7086.3483	5836.0000	7379.0000	5738.0000	8137.0000	3495.0000	4852.0000	4466.0000	4828.0000	22929.0810	21423.0914	23177.8437	22363.4411	22604.9836	23238.7456	21062.7561	23184.2307	22405.7215	24643.6320	22312.0838	23342.6147	21420.6374	21735.5069	24016.3231	25660.3011	22668.8605	22740.5271	23618.0253	22045.7961	23686.6754	44255.1309	38324.3754	64928.8290	56853.0579	12141.0925	9987.6263	10688.9633	12031.3769	8611.7239	7811.9429	9517.7331	8060.9805	11745.5042	9021.3157	6860.4896	8550.6299	6158.5052	5055.7009	5609.5268	8105.1183	5591.3079	6302.5444	10378.6889	7618.6114	5027.0214	5693.2292	7329.5519	7310.4700	9124.1160	5644.5033	5665.5015	7593.7986	7627.6269	6244.0614	6248.1556	6509.2320	5728.9654	6247.8770	5764.1460	6325.7860	4929.1041	5851.7587	14900.4931	8584.9623	6136.0851	10047.5436	6168.9667	4202.3880	7454.3759	6077.0025	5543.1719	8370.2312
FA(11:0-COOH)	7330.5789	9627.6133	9475.9809	12964.3640	10448.0225	19040.2325	11776.4648	11265.7881	10028.6280	10729.7058	11499.0000	11854.0000	11112.0000	12795.0000	10913.0000	10717.0000	12267.0000	12566.0000	32783.0591	37710.1214	38248.6995	41473.1479	33701.1126	35192.9658	36562.5115	36265.6487	38176.1579	39123.5626	35660.4355	27193.1069	109544.3871	30306.4468	4913.8748	27004.2699	30319.7149	35289.8940	34868.4427	33704.7520	40881.5958	49063.1596	50719.8619	49349.7054	60509.1016	16953.8903	18257.8678	21808.0171	20447.0632	11824.3035	13466.6815	16139.2644	14352.7424	14633.7399	15902.4540	13283.2433	15501.0211	14328.8789	13303.9935	14652.7829	10328.2560	14730.4183	10441.5523	11602.3279	10724.1881	10551.9770	12802.7798	13854.2283	9839.7019	10012.3560	13780.8225	13209.7449	7082.9768	11411.9645	12040.8627	14117.8028	11653.2312	11935.4948	15161.0316	12590.6461	10692.2899	9521.1151	8033.1068	14029.4634	13812.1410	10389.9885	17487.4203	14601.5275	11695.1243	13237.0977	9408.6642	9559.3914	12843.8023
FA(12:0)	25728.5439	23933.5602	35533.8245	34262.1629	26998.0842	52549.3001	37859.8132	32261.7741	48351.0791	46619.6450	16884.0000	17057.0000	18853.0000	19787.0000	12435.0000	11547.0000	12078.0000	14346.0000	77201.6357	95668.4960	92866.8461	87227.3660	74039.0172	74074.5215	87295.2700	82481.8866	86717.3784	85400.0125	83094.4876	71765.2829	234316.3387	63990.5586	68221.5908	70807.4259	71960.5639	79098.9949	81122.2695	74963.9320	92344.2716	77534.0152	88252.3686	62778.8599	95271.3587	51545.1721	55856.9119	66641.5952	60127.2768	28547.3533	29372.5951	36568.7002	32255.5100	33247.2881	23899.5679	29109.0207	29351.2814	35322.4494	23734.9531	32565.2762	25592.2385	28710.0244	27729.4529	22277.4466	32706.2399	19902.9444	22953.7038	24519.0303	29917.5515	28157.5000	36306.8150	26830.2379	22362.1362	22761.4855	27606.0302	31769.1615	22116.8732	59974.7652	50079.9627	23822.0575	24243.5581	29105.8410	21969.9215	56040.0796	34080.0394	26553.3508	50282.0157	28317.3217	35532.8042	29307.6487	38725.2824	24876.2942	57760.1993
FA(12:0-OH)	9599.2838	17373.2273	48559.6556	23163.5935	16566.1957	61396.2655	24107.3532	24265.5855	23591.5697	20733.4574									31346.0750	29525.3948	33838.1128	28842.4249	26952.9488	25498.1251	26923.6714	33079.1967	26234.5657	28390.1924	24475.5393	24524.9132	81766.3028	24551.7784	26906.2957	30858.5598	23497.6397	23700.7112	23186.2709	29074.8423	33068.7767	37836.9224	36598.9732	27335.5392	50023.1394	31932.7682	39548.1549	57640.2392	48225.5517	18180.9313	20320.7639	22481.4337	23777.2248	30281.8754	18973.6702	13827.8804	13266.8379	14705.3799	25438.8942	25539.7021	21166.5746	20091.7355	34646.5730	19683.9744	22373.0001	16476.8420	13749.4468	15422.1352	24317.2315	31456.0217	36154.6356	16869.3303	19348.4677	11862.5700	14778.9134	15410.9426	14601.6611	26229.0010	22082.2313	15197.7029	27305.7178	23152.4982	15194.6379	38145.2468	18246.7256	18438.9848	15648.5627	19365.8732	25638.6616	22447.0412	25846.8135	26072.8754	52627.8342
FA(12:1)	6380.5200	7249.8839	10529.2748	6233.2388	6044.3123	11264.2200	5344.0969	4239.1175	6211.1751	6092.6844					579.0000	1456.0000	881.0000	1150.0000	7836.1842	7025.3357	7590.7242	6807.4981	7668.8012	6710.6430	7339.3104	8254.6444	6811.7732	7903.1103	9985.3749	6130.5504	9147.3618	8029.6885	8514.7635	6239.6297	8890.4629	7359.5544	6500.3609	7493.1113	7440.3479	2481.3475	2283.0198	1562.6052	1752.1873	7398.4113	7417.8785	7960.2398	6987.9024	4722.4751	5585.4381	5134.9625	4136.8123	8051.2592	5999.0249	7882.5550	5637.0543	6511.5002	5355.8494	6226.2143	6296.8988	4526.9708	6126.6023	8556.5555	7038.5480	8449.5020	9415.0645	6648.2864	5419.2116	6425.2647	6866.6736	4432.3630	6804.9167	7037.4716	6674.0470	6572.3502	6743.7000	6380.3605	5734.9264	5632.7385	6459.6859	5999.4653	5282.9584	10224.6553	7004.1231	6763.3296	7494.1288	6982.0839	4937.3060	6307.3142	4445.0541	5587.4498	12542.1400
FA(14:0)	269492.6702	310573.2127	518163.2664	313975.3607	296138.3533	386504.2155	343924.8915	357124.1165	473240.1522	345957.1692	24138.0000	24092.0000	27812.0000	24177.0000	28983.0000	29295.0000	26250.0000	34104.0000	343277.7442	385065.1793	405256.9803	395774.1658	409050.6295	405138.3308	424880.9858	416467.5180	473755.2901	371752.5805	380800.8191	323789.3807	352393.1601	367036.6863	328183.1399	432228.5382	357991.0599	378944.2472	371442.0332	368910.6094	428861.8327	67726.0447	67156.7982	65976.4337	62931.5665	496429.4247	537049.1460	528000.2759	541074.3294	305839.0296	346184.3210	342800.7160	380946.4005	213538.5658	247841.4373	253626.4344	240242.7925	231948.4698	236840.8286	214693.2856	244194.4353	250977.8140	309418.6893	187516.0769	382230.3532	257022.7929	279512.3061	210568.6077	303576.2841	282023.9658	413842.1293	182340.7162	235019.2633	241132.5777	277529.3876	331681.0400	229443.1000	403276.6501	457295.6358	310800.5833	301283.3533	340077.3240	240220.1369	598530.7869	368200.6234	215427.4098	536884.8530	293613.0226	219874.6992	252611.4122	295464.0197	260553.3856	353782.1616
FA(14:0-OH)	29906.2539	25791.2156	103682.5012	34968.8249	33592.4488	74914.2241	30869.8762	40872.8913	39241.4719	34069.1511	8659.0000	5697.0000	7741.0000	4623.0000	10549.0000	5734.0000	8753.0000	6667.0000	31417.7405	32796.3199	27201.3494	28474.1912	33230.1490	32790.6270	33326.7366	28315.6768	29249.0817	37649.8159	35012.5208	40522.0542	36889.2662	34019.0395	35535.6649	37926.4940	39687.5498	27818.5697	40028.0543	34034.9490	38597.0879	5647.0384	4713.2450	8330.0297	7744.5827	37311.3746	44369.9283	57850.1379	62787.9537	20260.5106	22167.8955	26766.7496	25515.6703	37373.5119	31414.2739	46225.2764	38676.1379	35083.2002	39084.8304	34866.8819	33813.0388	34913.7643	39447.4690	33796.6629	43376.3005	54693.6245	26773.1788	27719.8168	57164.1654	34695.5026	8377.9778	27042.1734	34204.5402	22026.0746	35774.1617	22865.4156	26815.1386	52402.3503	30638.5782	26177.5106	38043.5891	24504.3627	23196.1263	90333.6834	32914.4855	23733.9611	37374.8526	28791.6998	19128.6221	27077.4100	28219.6879	27960.1607	42531.0392
FA(14:1)	53814.1967	63597.4690	136309.8347	83130.7680	72114.6223	135359.1291	73784.9745	74249.9118	95558.6141	79751.9880	3930.0000	2818.0000	4025.0000	3229.0000					68733.7899	87577.6925	89959.9724	86325.9704	73100.5886	73846.0333	79123.7811	80899.3927	86468.7242	82777.6642	80721.3569	67662.5840	230207.3866	67191.4331	69408.9266	69889.7378	67424.5874	71690.4897	79799.0064	78550.0075	89284.1494	39914.4750	42955.2848	36882.7085	49411.8658	96445.0803	103350.3858	131320.2379	127004.7509	42254.5813	41763.9615	55343.9223	50173.4525	79540.6148	83729.5899	74024.1441	58405.0907	67270.9506	65160.6014	70718.7739	66126.8536	55930.8515	79326.3998	75519.1598	156392.7729	68463.6533	77886.1355	61465.9993	88020.3690	77717.1885	100104.3344	48422.6410	51807.2492	53570.5829	67185.2663	61011.5688	49935.3822	83497.1326	84042.8316	60064.6035	81466.4414	55426.2952	56235.9459	156707.8717	95905.2695	57336.7826	87405.9042	69588.1005	67250.7167	62519.4702	75920.6596	78247.3530	183101.2261
FA(14:2)	45081.6859	50327.7621	96856.9082	46715.4652	54387.5645	103316.6733	52236.5321	61644.0134	60102.6274	63633.0822									67655.2222	65015.0758	67194.6276	63790.1408	65181.9444	65267.8676	67839.5142	64481.2757	73169.3711	71358.5057	67086.1967	67782.7365	69818.1967	73615.9376	66469.3094	69134.1656	70111.0850	63369.4015	65776.5049	67867.1584	65004.8556	75334.3499	57546.3443	63145.7835	77396.4114	61877.0468	65889.0233	61757.0202	61985.7828	30484.2150	29127.5491	29674.2076	31462.4184	60875.9034	50340.8715	52270.3110	46879.9930	45163.2771	46103.1191	59983.3381	58094.6359	40891.9890	55447.8463	61964.1931	57875.5082	47486.1872	60124.6444	43189.9938	57210.1532	60408.2789	59762.8352	38733.8325	54331.3601	44703.0424	53403.8167	37315.9572	45990.7491	51397.0842	52482.4819	48655.4862	57268.4089	36146.1217	43583.0370	93564.3987	55263.8470	39050.2402	55715.2997	48652.1021	50441.5158	52710.4917	55121.8134	54755.1130	131950.2533
FA(15:0)	44786.7635	50931.7793	118442.9416	52051.8394	53895.5974	43228.2290	54253.3191	37986.9653	63227.2239	53900.0353	9412.0000	11109.0000	12548.0000	12682.0000	18134.0000	19153.0000	19259.0000	19498.0000	48675.9609	61567.4755	51406.0987	60323.0588	94860.0716	51211.1960	61020.3686	51431.9402	93754.3224	81404.9082	63505.9372	60727.9373	73394.3063	58722.1861	85562.7554	82686.2155	66495.8374	67565.3052	54163.7794	40676.6867	120780.3328	114677.3957	83779.8641	144108.1363	119840.3953	66435.6620	99874.7726	100643.4109	102005.1406	76147.7273	48183.1905	48964.6826	57813.4189	34319.6172	51030.8307	69461.6773	48675.4468	42963.1163	61178.2307	42409.4753	42302.6637	46652.4880	45252.3317	44702.1932	209813.6469	52704.8803	59409.5937	37942.3595	56176.5007	53154.2766	55422.8657	62248.7175	59967.5783	38504.3226	49794.4256	48988.2654	51164.9913	80394.4546	61919.7672	50291.5404	63487.8865	60758.1283	68446.8550	97545.3171	81334.0213	45852.2503	79819.1962	43364.2526	49386.8305	56998.6586	50386.4606	33014.7764	121717.3900
FA(16:0)	4561835.3600	3994572.0940	6212882.0530	3741057.6638	3932461.9539	6285900.4363	5240150.5945	6659762.9250	9295434.1157	6621856.0160	328043.0000	325886.0000	424575.0000	387685.0000	380187.0000	390997.0000	419589.0000	396922.0000	6217867.6059	5989271.0691	6339126.4156	5173924.2530	6177566.3866	5540482.6651	6069738.6388	6775556.9527	6605016.8020	9218034.6687	8582767.2049	7679448.8011	7667928.3116	6795445.5395	7379378.1007	7960143.0274	6924461.6649	6082511.9493	6119998.6702	6056785.6895	6154904.9673	6802262.4364	7748965.9492	6490077.0989	8567289.4129	10175125.1501	9404832.6379	8994657.1584	8507768.3726	5203926.4963	5559613.4847	5144089.0324	5327303.7953	3529621.6927	4211985.6764	4895729.7125	4078075.0517	4480260.7129	4564939.5423	4067012.8177	3936854.7830	4068882.3758	6047555.9850	2987356.6871	3992598.1092	3899796.7288	4703017.1581	3812318.9005	10344059.0538	5693551.1195	6972970.5211	3003916.2277	4351776.3743	4162082.8937	5050621.2125	4720093.1037	3669366.6565	5536931.3685	9441649.2917	6226665.9117	5377106.4381	4784315.1230	3975145.3854	13021203.5118	3763417.5205	2828825.7947	7990844.9933	4670570.0038	4649249.5120	3371822.7175	6121905.6798	3825569.8560	4625801.6833
FA(16:0-COOH)	94036.1103	60382.3929	154245.2330	40953.0725	100999.3383	72548.7923	63458.3212	51342.4356	70521.4900	41182.3709									74001.6180	77764.4316	80694.8079	78288.7438	72231.2400	74649.1272	73495.3202	74556.4447	85400.2228	60797.2457	63762.8283	61157.9720	64509.9012	65363.6124	60549.1205	70047.9423	65986.5544	72947.1978	80390.1780	66855.6767	76513.6145	10279.2901	11536.0458	9738.8600	10477.1081	88466.0636	104328.5628	101404.5393	101002.8178	70186.3916	87639.5820	83944.2636	96787.3753	63430.9871	46059.1588	163310.1092	105846.3732	100705.9370	42026.7174	36032.4180	42688.1203	46550.2692	41021.0058	49967.2648	83011.9163	105848.7849	84686.1341	97354.9034	51637.5374	54242.8561	64483.9926	27395.2333	35022.3495	42590.0661	52836.6840	62045.1751	43043.8371	53025.0175	47511.1952	41944.0830	46901.6099	37611.9091	37410.2911	97155.0297	73089.0408	52036.0775	63044.5575	63197.4842	28509.3893	51769.1091	40479.9806	39269.2134	53950.1585
FA(16:0-OH)	231503.2552	212045.3385	341585.7093	196743.8197	186152.8874	408953.3999	284504.4062	229866.3846	397930.9726	245687.5300	12850.0000	12592.0000	38717.0000	22710.0000	12403.0000	12754.0000	18706.0000	17865.0000	245750.0283	259177.4833	222801.8189	278902.0472	243190.4055	273510.0301	292286.1020	279145.3522	275682.4670	450316.6001	515284.7500	470551.9928	483883.9475	386750.2273	399795.9791	407046.8467	473230.0883	249918.0176	269749.5375	249334.3634	234918.7486	70282.1848	70073.9094	56951.0309	60205.0113	276281.8897	204802.6030	214575.0109	189464.9764	152706.3351	152818.4412	145551.7264	145380.8302	187907.4911	291668.2819	225309.6485	170227.2952	252193.6209	249860.3701	188452.9847	203646.1695	181845.1206	217128.8955	185271.3469	202148.3449	241046.8057	220652.8270	225116.1309	442049.9538	163788.3682	280881.3562	134671.2091	175212.1171	181050.0147	183913.3003	221014.6611	181617.3740	191047.1949	302062.8239	279440.9417	300545.8743	187469.0637	196669.3925	427407.3855	282231.3873	171642.0894	317818.4876	257362.8766	222294.2386	217046.3768	224301.2129	332451.6119	278841.2723
FA(16:1)	1196486.9301	1739306.8180	3112811.8438	1802758.5700	2028615.2537	2737374.3519	1842192.7783	1623033.4015	3808396.9029	1849682.3714	16006.0000	16691.0000	24370.0000	21996.0000	13854.0000	16317.0000	13172.0000	12558.0000	1893832.6178	2007582.0018	8099.8327	38139.0448	32778.7179	1981397.8614	2282499.2643	2020128.1397	2482450.2885	2368169.2204	2436059.5983	1958467.7731	2241045.9448	1836684.4815	1870047.0461	1999988.5114	2158452.7867	1866282.1449	8066.9651	1748836.5229	1861851.1545	470721.6697	456647.2467	391189.2760	420989.1716	3016003.9348	2576628.9045	2741148.3092	2586714.1923	1389702.9402	1489720.8487	1445006.1008	1464075.2002	1313173.3033	1755462.5026	1284565.6630	1159118.4814	1457591.4320	1473071.7487	1139546.0520	1106186.0949	1271999.9253	1634259.2179	1310920.9401	2075070.9568	1573357.8151	1512741.9324	1305443.3525	2344218.2266	1375569.7810	2172251.0889	894492.1403	1336920.9109	1575290.6642	1283020.1780	2032735.6121	1365376.9153	2151668.1558	2645965.0114	1756857.2704	1820247.5919	2167932.2333	1401383.2876	3978964.4382	2165450.9895	1397103.2468	2878733.1346	1789905.0398	1684395.1602	1283853.6007	1590559.1097	2076294.1345	2083561.0411
FA(17:0)	179055.1936	159551.4160	246624.3693	131934.2591	139794.4783	212777.8177	213368.5370	243143.6715	255957.7213	273006.1848	7354.0000	5984.0000	9221.0000	8759.0000	8747.0000	10034.0000	10288.0000	9740.0000	263656.8966	244558.6092	275230.3064	232135.3065	273743.2065	248062.9697	260706.7723	272949.2448	271119.6794	297816.5570	268705.5034	227398.4617	220665.3598	208373.2971	225160.3845	246455.5246	202772.7236	255081.2675	276378.2283	255449.7952	269940.9224	381132.9358	435627.6273	332276.8836	431614.0600	386224.5773	344495.2951	366493.3172	330690.4341	210381.2523	224469.4940	203528.3369	201284.8219	126165.5525	182950.7605	199957.2947	176892.0904	164146.8045	187113.1345	182981.5770	181558.9060	161155.3622	230977.3646	118407.9792	360338.0815	162125.7063	224512.2835	163304.7081	328932.6676	229788.3025	257983.5364	119534.7563	180034.5146	142142.8022	171055.7882	166217.9170	136374.8917	190368.8627	277969.9485	294602.7735	254049.0307	157059.3853	164705.5770	391472.1935	186106.9625	110621.6318	314945.4916	182106.7194	176707.0076	180633.7237	244232.2600	159146.3372	255340.4304
FA(18:0)	2845024.9437	2829523.8034	4797732.2665	2906173.1365	2753654.3194	3942502.4415	3861942.7652	3155318.6542	4909731.8224	3807914.6867	337716.0000	329128.0000	416794.0000	401722.0000	352378.0000	366265.0000	408719.0000	388284.0000	3675872.0075	4081055.6904	3378393.7830	4255313.7751	3693439.5146	4180790.3765	4638082.8291	4205303.1449	5405913.1143	6164625.8592	6286315.1260	5142916.4601	5617461.1440	4542053.5808	4718664.1288	4871756.9546	5597745.4034	3865112.9036	3993474.7396	3687526.1280	3747392.0360	5259100.2474	5100524.6042	4567597.7535	4994639.7600	5148502.4221	4480350.8143	4816328.1453	4554257.8429	2937064.4681	3225065.9352	3393587.0110	3403553.2826	2685012.8770	2959545.4814	3001676.5351	2852765.4900	2942702.5772	3250631.2162	2923937.1544	3218425.9355	3110757.9134	3684875.1221	2662705.7821	2984065.0949	3492022.0834	4204228.0478	3166698.5393	4589503.2658	2931306.2149	4389495.2766	2675761.4602	3173204.2399	2528536.5892	3048441.8941	3308341.4012	3069004.0555	3333381.2023	3458376.7708	3718972.4122	4282470.0291	2648715.4862	3249927.6050	7183253.4045	3417101.2176	2156788.2096	4623367.7507	3764674.0348	2937348.4571	2418427.5617	3290745.3216	2564627.5569	3148167.9799
FA(18:1)	6619179.0107	7055698.9860	10475441.6337	7400391.8307	8531156.6804	12750527.6221	8161180.6174	10926786.1914	18735570.4342	13035514.9158	46514.0000	44294.0000	250997.0000	107471.0000	60663.0000	52325.0000	83695.0000	61819.0000	10337483.0564	10199410.0144	10945262.6757	8883394.8473	10331712.3828	9320586.4639	10035089.4602	11213678.8435	10521026.5094	13176185.7061	12947846.8702	11826363.1047	11578911.8284	10244293.3898	11163082.0699	11837826.6788	10342043.8090	10369683.1664	10299089.7725	10298548.5047	10167282.2085	5791380.6768	6583681.3951	5253830.3436	6631820.4211	18554242.1110	17150150.8932	16544675.3409	15656417.4577	10061912.3725	10692883.9659	9379566.3676	9622816.0946	6341445.3312	8661058.5628	7789580.6520	7039425.2776	7743951.7018	6699804.8187	7228175.9026	6262536.0754	5786775.7749	8545504.8519	5677672.0052	7030996.2775	6563211.6494	7635230.5271	6687351.5000	17957734.5830	11054152.7651	10200491.3567	4213197.3359	6877746.1412	7966532.8653	7038701.1449	7779358.4342	5436870.3701	8656941.1085	15709126.0943	9577529.9167	8164080.8729	8575660.3295	5916143.0643	19066230.4169	8769542.2598	7673399.0890	13305302.7904	8567314.6795	9808061.2242	6975316.0928	10551790.1206	15049540.2711	9276312.4109
FA(18:2)	4839621.9114	4950806.8110	6948309.8842	5021530.9817	5478895.1604	7816375.5263	5374869.8838	6837627.7028	11922545.3012	7062466.9738	151791.0000	124027.0000	229990.0000	135666.0000	142244.0000	144278.0000	111543.0000	101238.0000	6406837.7886	6343092.4512	6652647.2512	5652626.8705	6534225.9374	5988051.5719	6488526.4256	7265357.8253	6818833.9860	7022623.1911	6677410.4233	6244119.0546	6304457.3948	5505767.1991	6009081.9398	6417366.3260	5585921.6494	6298164.2612	6561191.2385	6583006.4670	6671822.2713	3868213.2590	4431737.0143	3558019.0195	4534447.1079	13815732.9242	12680926.2576	12484221.2412	11904461.9869	7151724.9502	7598337.5457	6871473.8682	7143131.7224	4508713.4047	5196433.7338	5247050.9692	5149905.5642	5304743.8280	5172379.7362	5081568.4988	4418539.8615	4441609.1698	6231927.1524	3978031.3274	4623995.3380	4622660.2214	5229597.0369	4790303.0432	10634224.1258	7050839.7541	6528862.5439	3483430.7134	5308317.1575	5645193.9091	4878551.9026	5873524.4554	4266296.9507	6716042.7782	12824904.6613	7137616.8594	5956045.0086	6473058.3308	4428701.9182	10908449.0400	5309864.4465	4427260.8357	8304861.4999	5830920.6588	6471599.9969	4547272.0796	6865323.3695	7697328.8953	6153536.1836
FA(18:3)	536731.8344	741982.4892	1613893.1589	864398.5456	935359.8251	1346535.2955	760233.5614	769232.8443	2135830.1592	821816.0548	3481.0000	2187.0000	10971.0000	5093.0000	3909.0000	2299.0000	2803.0000	2463.0000	861393.7138	933879.6663	765616.6138	947644.9005	831937.1946	923395.8283	1033612.2436	955019.5731	1113582.0843	1193984.0095	1314506.4234	1096847.3815	1209334.5405	986566.9224	1007570.7784	1064923.0942	1188750.1052	869813.4961	884515.6984	815278.7198	845310.1093	225364.1995	203054.9334	173668.6950	186253.2216	2089835.7281	1724582.4538	1865767.5485	1768773.7949	829062.1486	884108.9583	840730.0857	833020.9067	646717.1709	669152.5008	694287.8847	552551.7762	639471.5778	672967.7003	518877.9372	490447.5675	579797.8844	901547.1933	607861.2517	590316.5330	665444.0985	738406.2679	626294.2275	1097949.7728	575728.2704	954453.8286	407637.5092	677372.9672	710854.8612	603057.8302	1024989.9068	685620.4892	1075300.6011	1883048.2813	929067.8827	972856.2424	1198105.2787	631737.7151	1882264.8923	795847.2224	532669.8877	1354869.6729	929451.0350	855441.4875	539517.4615	809399.1718	816021.3200	852820.3365
FA(18:4)	24011.9216	32778.7339	82072.2747	35236.3755	35851.7675	51112.6072	25759.7997	27458.2378	67247.8898	29405.4981									35453.2155	34797.7702	28702.9712	35612.2222	31976.9727	34267.3193	40711.2602	35750.7256	41444.0176	45274.2149	49617.8611	42854.5866	47214.5012	36803.5668	36015.7553	39838.2946	46904.7229	33776.7943	32717.0651	30608.6899	31627.9816	23854.0178	22024.8227	17429.2723	19736.6497	56662.4931	49041.2396	48298.5500	44091.3036	30720.3607	33902.0031	31976.3239	31927.5504	28903.6967	25515.9839	31827.3460	23413.9741	25580.1328	25181.3885	17829.5289	21434.6586	21654.3795	32076.3108	24714.2091	22232.2106	22691.9703	26470.6451	25774.1289	29095.8098	18361.3841	30388.7374	16298.3921	19740.4040	26590.6927	26846.0250	38958.3858	28823.3799	43193.5268	85478.1317	48411.8751	35851.7541	35814.4193	27477.1850	81356.0209	33808.7834	23819.1597	43860.8856	40422.8698	24751.8675	22148.0479	25318.8274	27234.1933	36381.0823
FA(19:1)	50838.1267	65127.8256	138476.0449	69040.4419	73065.7049	116215.2745	75927.1664	79095.6311	192368.9695	120792.5704									95760.2317	96712.0983	90432.4604	103510.9654	91596.2197	108396.0542	116715.9179	92247.8092	108940.9693	164883.8171	164287.4825	147337.3290	153908.9235	130003.8975	134729.2329	136776.0143	153373.6758	91207.7793	102086.1392	91345.2561	95621.5564	38838.4001	36278.7103	31058.6369	28927.1350	171630.1149	130624.7681	148826.9780	131392.1466	76091.6551	75796.4595	64450.1285	63445.4191	54629.4469	79391.8706	61092.7762	58596.1155	61478.7899	72668.0326	70453.9580	49243.2689	53761.8647	88862.2273	59854.6222	155145.0100	77900.4971	98231.4696	67510.4501	143952.7889	73996.7552	98657.5370	43415.8822	70769.2117	68906.4850	53720.6538	91886.4913	66807.5679	86882.6990	162574.0407	89383.2206	106424.2723	93823.9189	63137.4869	231195.7276	98664.8451	55515.6042	157233.0765	88640.3451	98159.1467	63386.5450	89779.3943	100048.7368	117560.5554
FA(20:0)	111447.7698	69797.6040	110085.7848	59261.2150	59108.4125	133457.4562	134932.5814	157869.8444	122806.2828	166043.5290	5028.0000	5526.0000	5054.0000	6155.0000	6340.0000	5844.0000	5225.0000	6199.0000	145051.7981	140877.0450	142482.3592	123198.5994	142748.4060	124879.0343	126557.5905	154306.1534	146021.5934	164874.5117	154737.6970	140107.3966	143372.9491	117376.4393	138435.5931	140704.1701	117230.3140	144148.1424	133540.8938	137830.1671	126639.0748	162090.4790	193560.4378	131634.4649	159302.7148	136849.9353	122678.7503	125054.5656	111902.4488	97847.6059	103283.8399	84799.2678	89153.4669	64239.7071	103941.8243	102784.7939	97330.6461	96632.1389	107499.0777	106747.2916	147399.8151	92047.0971	125201.1241	59828.7820	89449.3995	96403.8965	118699.2846	97848.7675	153809.0889	120636.0533	161542.2146	82310.7436	99723.1557	59493.9126	122843.2777	69430.8151	60072.1411	96103.8989	104460.0298	122183.3680	126348.5809	52482.4234	77897.8810	200591.3649	97922.7663	56821.7354	132796.4390	98870.0447	83096.9130	99047.7829	152755.1478	88865.3769	126873.3354
FA(20:1)	781862.8000	762733.2352	1495835.0805	907966.8820	803727.8065	1717343.4588	1092781.9863	1280944.4364	1589575.6215	1785659.7035	1253.0000	1669.0000	4414.0000	2374.0000	3016.0000	2197.0000	1487.0000	1712.0000	1373044.9673	1352470.9893	1381673.9169	1163206.5829	1285624.0276	1201006.3886	1202548.3417	1406984.0897	1296421.6868	1687966.8021	1594007.0361	1397403.5014	1385391.5769	1166284.9965	1327099.5672	1370133.2005	1208644.1952	1365387.3782	1329980.6971	1324629.5589	1240457.6606	299079.4578	331530.5022	237007.3927	295059.2773	1899437.3654	1746101.2261	1739483.4761	1606899.1210	1339432.6844	1424712.0574	1146599.7762	1165099.6197	853182.6941	1263865.7267	1178222.3895	1037188.2440	1190816.1786	1293630.0027	986325.2358	1020595.9296	643136.6248	1395311.0656	917579.6505	1101187.8102	971615.9526	1318094.5287	961709.8016	1859574.5479	1405404.2898	1313675.0453	608018.5955	1001812.0455	765710.6158	1140080.5632	678669.1670	581436.8464	1263196.7183	1706801.5756	1462091.5141	1513027.2863	993529.4002	828090.6700	2266514.1835	1078544.1640	713176.7511	1381314.1749	1010478.2238	1005956.3491	1065741.8804	1277364.9169	1323349.7371	1158828.9942
FA(20:2)	502475.4316	449345.5648	583115.1797	442329.4218	572905.7903	1093388.3649	708738.0148	601782.0275	1490931.5647	998334.4537	2099.0000	2325.0000	4610.0000	2796.0000	2623.0000	3067.0000	2181.0000	1946.0000	838466.0026	744261.2973	883897.3505	674857.1166	599693.0032	602370.0455	1092013.8689	718815.0534	611499.0679	493989.5600	1044918.0789	1214961.3805	814280.2886	1137043.9916	1594098.5402	1082065.5143	1004664.7788	842615.5171	1088263.3101	592743.1035	673245.7177	40290.1937	42421.5661	30816.7589	28464.8453	1415451.4411	941666.9701	1107523.4365	1453004.9914	783690.3991	780096.9909	500833.8415	719262.7918	561751.0976	751690.8127	662256.6475	412378.4956	573135.0021	828778.6923	1384201.7583	589684.2970	424259.9403	756604.3732	540445.5018	496552.6694	321853.0242	662160.1928	475466.7090	1008594.0087	731180.0594	1707280.0591	285750.7504	779437.6568	399954.9433	658558.0767	823110.0891	510580.5522	502057.8819	1489927.7622	1007401.2085	744506.5008	684458.0640	888913.4451	1573021.7987	486078.3368	1107917.9941	1101344.7455	856497.6678	915530.4104	703370.8514	1324086.4452	869407.8223	1010727.4492
FA(20:3)	1143013.3056	1158615.7984	1375260.7153	1192365.5784	1560300.5843	2801161.5467	1590090.6988	1396956.1637	3985885.5926	1986484.7238	6385.0000	6999.0000	13123.0000	7755.0000	8992.0000	7733.0000	6652.0000	6275.0000	1876745.1249	1770335.5438	1955415.0350	1469552.8272	1312033.6835	1279523.1473	2371504.3024	1726180.9438	1555371.4362	1057418.3486	2220402.1772	2619830.9251	1800890.2174	2506670.3151	3372184.9797	2347551.5781	2189718.1996	1930926.2171	2470699.1118	1348086.7651	1476836.3976	63013.2907	67895.0857	53063.4105	50126.7641	2146061.9130	1497730.7930	1656693.0877	2246091.2160	1476551.1746	1483304.2224	1080900.9845	1590498.2197	1311419.9163	1668805.5085	1309981.0983	846919.2985	1400877.1253	1542606.1778	2067438.5496	1137999.9148	804925.0111	1189777.6718	1206309.6168	691558.4003	723199.7837	1010126.6470	889704.3246	2678610.3728	1428852.1481	3734222.7113	508754.1971	1266210.3870	939399.6080	1211423.6012	1737987.5093	881512.6964	962152.3082	2482683.4922	1839790.1807	1393797.2767	1333467.2930	1853850.9139	4335236.4965	1636382.3006	4878637.9902	2665062.2339	2284034.9406	2245096.4243	1836154.3224	2981743.0747	3000063.0276	2232460.5385
FA(20:4)	8503574.6404	9698961.2129	13960954.4253	10607400.6156	11347278.8802	20103465.1698	13043531.6095	11815188.3298	25246525.5332	12551348.4531	58918.0000	52160.0000	113413.0000	78651.0000	69434.0000	60843.0000	64296.0000	62976.0000	12251637.0142	13006354.2282	10849611.2324	13656255.1638	12112200.4319	13187450.2259	14806583.6641	13435504.3069	65447.7987	16373890.7078	17185348.9888	15209553.9652	16593679.7851	13640504.3974	14085112.5117	14341628.4715	16522602.3488	12299591.6547	12986726.0983	11828940.2772	12051777.2059	4037263.2393	3904329.8151	3401544.0900	3587199.6705	17687078.4336	14671461.7037	15759231.6348	14762734.2778	10832724.6535	11353175.7439	11121515.8262	11103454.6894	10247148.3646	11835255.8889	8719493.9680	8172131.8194	12580436.2891	10878662.0915	8498275.3475	9169330.0587	9749957.3420	9975901.7113	9317183.3842	8010073.9588	10560118.0677	9687027.9201	9907927.2030	19293528.2212	10067537.7908	14157649.4221	7363356.3516	10111165.7048	9470581.8008	7695808.4891	12050384.8768	8911546.9045	10513148.7054	16648111.7855	11749192.0432	12438646.6033	11964893.7719	10177793.6080	17021460.3909	14138707.6791	10651444.8330	15203547.1900	13290112.6406	12787666.7078	9482759.9310	12078657.9309	17087061.2788	12349642.0992
FA(20:5(5Z_8Z_11Z_14Z_17Z)))	576106.6742	684903.6933	915212.4545	745543.1699	1339135.0883	2297869.3304	875245.7174	883684.3776	2537893.8055	1192996.3074	6913.0000	6204.0000	9869.0000	8907.0000	7425.0000	6241.0000	6454.0000	7796.0000	1394576.6644	1358682.3768	1447778.3154	1112617.8821	963815.4916	955705.0465	1755043.5749	1293092.7568	1121321.5496	789935.6791	1719844.8251	2087284.0698	1431708.9966	1948274.3395	2681344.5380	1842542.4824	1720504.0177	1417306.4761	1737623.4760	12913.6736	1111731.2877	179697.4882	189979.0366	142416.4803	138623.7006	1474789.0826	1036613.7771	1160198.9598	1580404.6724	973792.6062	972431.6676	695559.1804	1028293.6947	1151828.0685	1397817.5794	886852.6175	426073.1500	872164.5586	1158106.7220	1276316.1952	648508.0755	553521.3898	826729.7428	879140.0119	331002.2753	345676.4602	12950.3416	579354.1637	1345596.2486	772723.9856	220808.2408	379983.1674	1117805.8731	811771.3749	16088.2684	2143338.1338	1272118.9797	1585928.8620	5362756.7010	1705196.8555	1151342.8964	1569710.2843	1236107.3323	2508790.3329	682761.0556	1895653.5125	1874055.7153	2109818.6457	1634880.6402	1039400.7367	2218104.0954	1308272.9543	1204946.5812
FA(22:0)	34080.5767	17782.8480	27191.0611	14849.6980	15137.6935	26310.1382	34719.9936	38903.7222	26628.1656	37643.2056	2372.0000	2359.0000	2152.0000	2493.0000	2442.0000	1898.0000	2616.0000	2531.0000	31115.5147	30215.0394	35324.3777	30104.9431	34238.1801	29868.3909	33696.1232	40608.9332	37562.6477	46941.0787	44355.1290	40289.3002	41269.1664	32480.2291	38667.1006	40016.5654	34919.6800	33377.8464	35898.5629	35004.1969	34614.1394	27009.9937	30782.6032	26954.1446	32571.1471	23820.8402	20135.4509	21659.6298	19909.9919	16006.9411	16193.8440	16631.9891	18694.8806	15892.0178	22576.2450	30645.5288	26204.1137	24506.2329	25146.9271	24921.3412	41301.8652	24093.9172	27978.5507	14109.3505	20369.6925	23101.1293	30864.4990	25196.2375	43286.5025	24755.8817	39678.5282	21898.5154	24745.0536	15486.1278	30928.0748	18163.4754	14773.6928	25502.5822	25315.2350	32252.1306	26646.0200	12239.8213	19848.5893	56275.4987	25864.8162	15018.2507	38256.6606	28338.6626	18645.4494	28556.1950	39240.3902	21469.0123	28366.6123
FA(22:3)	156395.5751	160278.8465	195550.2869	163436.4846	221044.0405	413533.8831	213893.3349	309232.0069	505240.1645	294473.2893									248051.1946	221553.5481	247269.4921	213203.6868	228438.3998	218409.3791	235772.1554	253608.1862	211154.2111	303027.4527	303934.3950	278627.2241	278682.2023	234070.8933	263096.8629	280845.2174	243062.4166	233054.9340	248253.4700	227783.0516	236982.2757	26775.2466	33219.7422	18716.8429	33960.6415	213913.8851	186268.2296	194979.8355	165448.6482	200902.8282	212967.6224	157085.7203	159590.6576	145387.4707	198653.1331	108468.9229	139014.4392	208775.7896	150743.0437	138644.2527	161614.6430	131258.0414	140072.7043	134753.9885	148628.3692	146394.1528	107602.7071	139344.4137	356118.6113	209016.8194	206456.8770	79648.0570	136694.3099	172832.3353	118884.1770	173853.7478	91429.7935	157202.5184	263519.0061	187779.5134	143005.0750	154471.9970	127326.4693	279251.4441	287439.9307	308286.4900	255718.6671	254344.2923	248705.6652	213159.0484	269379.6819	601383.0322	276636.3740
FA(22:4)	5302690.2663	5237521.6175	5547705.3012	5356516.2062	6601214.4029	10563924.3935	6763273.7960	9104383.7810	13422766.6294	8359717.8865	11181.0000	10933.0000	20395.0000	15214.0000	21049.0000	15999.0000	14654.0000	14516.0000	7477774.2649	7227709.3173	7746311.9991	6476787.0533	7388117.2659	6670907.8949	7092836.8044	8074491.0393	7696233.9170	6397652.1436	6309465.7299	5587831.4607	5541480.2783	4838491.2085	5140233.7021	5567803.1498	4734525.9051	7365313.2647	7477250.3933	7498348.6316	7239092.5691	646148.2516	719669.5969	523039.8837	651417.5663	6877180.2682	6534811.6441	6329366.6476	6107489.1642	6387491.8781	6757070.9795	6075326.0971	6185305.7439	5057242.0276	6035067.9635	4101135.4363	5029091.6391	6863196.4282	5568036.8737	4989153.2123	5957560.1885	5126692.5721	5034606.8121	4203323.7908	3980349.3492	5013368.8134	3761817.0283	4789784.2523	12159509.5701	8161223.5829	7038862.4531	3439376.4023	4831755.7273	5420636.4730	3896535.2546	5436334.4163	3150790.4585	4752017.5401	7738821.9259	7024699.8787	5604413.0996	5727069.1505	5062828.9186	7067169.2665	8294221.6222	8484045.6512	7561885.6169	6979748.6976	7225316.9036	6711354.9011	7687910.7016	14332794.5840	7966826.4458
FA(22:5)	905021.4607	1089748.2826	1397788.1223	1134559.5273	1365184.0093	2614292.5830	1489059.7597	1789247.8585	3731805.5504	1736524.5637	2551.0000	2275.0000	6024.0000	2996.0000	4318.0000	3852.0000	3544.0000	2859.0000	1524766.6157	1556348.6289	1689464.4125	1635240.2003	1604089.4409	1521659.0308	1576720.9207	1654546.8398	1759475.4899	1916802.7969	1900788.7154	1576966.6354	1682878.6955	1722940.3889	1544988.1828	1937227.0995	1587551.6470	1660809.9457	1669208.6756	1527625.5825	1542939.3369	24908.8035	23801.3977	23009.4240	23273.5679	890913.0314	984371.1950	928677.1312	877862.7529	736538.3818	760846.5655	807157.8975	919179.9541	936249.0014	1201295.4493	739126.4138	942376.7018	1397173.4599	885783.9993	640159.1990	1047669.7822	794227.5801	978798.1210	864758.8504	1037757.8057	1216701.2058	900569.5610	817501.0807	3576538.2136	1461721.5935	2208527.9812	502100.2523	825193.6246	1144355.2640	645878.3030	1187841.0059	511988.7470	820799.3717	1406937.4675	1114298.2039	985756.3341	1124997.3508	858792.5493	2332297.3239	2475543.3754	1948508.3666	2331226.5986	1707899.2484	1473913.5043	1101010.8836	1717424.7517	3461519.9764	1354711.9282
FA(22:6(4Z_7Z_10Z_16Z_19Z))	4687342.2414	5849942.0018	6357224.8824	6341351.0575	6162497.6211	10992661.5847	5400063.0423	5949563.0337	9991452.6850	6414126.2142	26015.0000	26263.0000	37294.0000	27064.0000	31929.0000	28739.0000	25472.0000	23631.0000	5688272.8382	5875676.1928	5660138.4353	5534415.8031	5543344.1216	5385349.2191	5319760.9991	5638635.0188	5901815.7225	6115564.0949	6520290.9710	6200205.3319	5990132.1574	5897963.0043	6992367.0423	6771771.9498	5935903.7855	6020645.9113	5918963.9578	5698217.3594	5343787.5987	2630595.2689	2560683.0849	2558475.4739	2632741.6385	6147081.1620	6136325.9358	5762330.8295	5825796.8430	4811708.9134	5000268.5725	4850026.5091	5070172.2411	5327196.4619	6485147.7949	4134413.7739	4395270.8513	5837691.5144	4340436.2925	3478480.1704	4525453.1051	3803714.0647	4549949.3040	4009114.2988	3721714.5152	4054401.9366	4116534.8128	4425187.3660	8417711.6111	5545688.3770	5985935.8262	2750982.4200	3468072.2691	4429993.9575	4393499.6933	4803446.6398	3145669.2629	4644331.7424	4921925.9469	6828479.5859	5291805.7415	4771871.4986	3997352.3992	7381327.8455	6797328.9505	7109276.4508	5720766.5082	5874207.9737	4670063.2687	5106703.7299	5345258.2961	10467437.3220	6802698.1937
FA(24:0)	50162.8136	24488.3543	35403.1335	23965.6167	20252.3844	37415.1284	51828.5302	46305.4278	27486.7351	53743.2635	2032.0000	2212.0000	2537.0000	2039.0000	1775.0000	1906.0000	1693.0000	2195.0000	37093.1107	45250.8039	48198.8004	46974.3456	42265.1213	42261.6384	40560.3361	44367.3933	44694.8186	47762.1241	45030.7713	38221.1728	129648.7382	36393.2879	38086.6251	37988.1303	36636.7865	40789.8289	45719.6093	42222.7954	45363.4366	31334.0895	33588.0887	26106.5432	32093.6111	29897.5668	32060.0218	38427.6815	33812.9683	18399.2414	17290.8657	20383.6549	18917.6982	25563.2137	37500.2105	32708.6339	38598.0558	31864.2566	31681.9451	35593.9834	59456.0949	38335.9551	38496.5551	19737.3454	31897.4527	30509.8297	48707.7991	30728.9534	37717.8537	29904.9961	61174.9981	40955.9405	28237.7785	17971.0594	43960.5273	23060.9937	24831.7641	29293.8813	29130.7622	38231.7688	40451.6546	12166.1741	28976.1139	67568.1357	32458.7218	19651.6396	44992.7374	42000.6983	28375.7784	49437.5634	61181.0586	27166.7031	42624.4093
FA(24:1)	203677.0058	145232.4671	216182.7121	113316.7855	104779.7698	209483.5744	252154.6435	242084.8281	168358.3671	214722.6951									194254.3754	208165.9046	232731.1536	220111.1708	209629.2045	196559.4757	205638.3140	224622.3627	242698.9474	229064.5312	244127.2745	214900.1734	225787.1410	217791.1441	212897.1086	247354.3381	222549.3461	212111.1926	215970.8336	207868.4928	221687.7049	5774.2133	5962.8904	5061.9124	4636.0527	145720.8653	160412.6971	141662.8195	132174.1239	117489.1534	130163.6465	131230.7104	151914.0193	106597.1807	163314.5209	175939.4003	187943.5627	167150.3793	168332.1562	155597.5701	261846.8211	140506.7346	200702.1644	109093.6834	160461.9338	196310.3760	247582.9977	157915.9859	219594.5116	181308.8570	283441.4056	106628.3596	146557.2698	113742.6203	178511.3857	114432.1049	101699.3126	150097.7482	149269.1466	195632.5910	219303.4034	99416.4747	144486.3282	367905.6650	207596.4149	79130.2882	242385.1185	176333.0185	123794.9912	166016.8249	236526.4212	148665.7157	153832.7044
FA(8:0-COOH)	4474.8520	4933.3757	4226.8916	4250.4199	5021.3975	4961.0930	4989.8180	4922.6398	4372.5462	5764.6245	7304.0000	6206.0000	7342.0000	7979.0000	6099.0000	6385.0000	7284.0000	7551.0000	12783.3815	13735.0960	12684.7402	12598.7480	10971.6719	13291.5278	14079.5522	13030.3047	13273.0612	12624.5123	13481.5748	13941.3912	12177.4439	15068.3588	12594.9202	12930.0199	13495.1532	13475.2405	14114.6686	11259.2979	13038.1228	5481.0687	7344.0675	5340.9536	5886.8130	5414.8781	5359.9421	4359.9326	5920.9737	6998.0270	5170.7600	7532.4746	5728.0490	5078.7184	4122.3966	5034.5790	4710.6577	4840.9651	4593.4611	4932.5215	5480.1546	4622.4430	5633.8239	4837.4292	5147.3762	5242.0952	4710.1340	4556.9549	3827.3182	4639.1581	5655.4892	6284.4828	4417.7320	5617.8437	4485.7297	4987.4250	4396.3964	5410.4903	6454.2125	5089.0706	4878.4445	4041.9052	4524.5919	4241.3528	4250.4153	4924.0712	5042.9819	5275.9202	4911.5186	4886.5748	4286.2351	5046.8197	5250.5200
FA(8:0-OH)	5172.6040	6466.0064	14408.9771	5621.9231	6365.5004	13789.5445	10446.3890	7922.4179	10783.7980	9169.1455									12813.1132	13320.9918	14212.1426	14183.2058	15321.3038	14954.5475	14634.5449	14460.2850	13563.8183	12373.6602	11833.4997	11288.2207	11042.8627	11349.1944	11486.8442	11871.3256	10521.2148	14350.7356	15276.4004	14365.3630	15417.6819	3794.7350	4220.9348	3490.9556	4366.7429	14311.8892	16044.2548	17357.0554	17985.5370	6639.9325	8869.1895	8134.7371	10350.5296	7579.3829	6485.2650	7379.2486	5912.3376	7242.6113	10904.2739	7658.2898	10335.9446	8407.2028	8154.1525	3740.5276	7121.4076	8100.5347	7783.4342	5056.7398	11855.0262	12337.7085	11959.6665	6118.1045	8393.6874	5242.7763	4672.8505	6187.0996	4080.8229	7159.5057	6163.6640	8450.0628	7952.5566	4882.0499	5653.2430	10799.7160	7457.9311	5065.3762	7660.7297	8055.8353	7843.0232	8987.8861	8787.3657	9413.1206	12802.7921
FA(9:0-COOH)	48972.4963	74702.8170	46829.2804	54826.8965	68477.9993	80433.6970	54273.4218	33534.5659	41839.6624	48558.9422	35625.0000	33720.0000	35902.0000	36021.0000	27917.0000	29075.0000	25612.0000	26788.0000	150119.0208	146002.6080	150849.4466	146728.7820	143175.6831	143590.1916	149729.0425	150448.3069	150153.9622	162318.6412	160499.2255	159409.4606	156028.9709	155611.7324	191175.7339	180849.4175	155063.5956	143144.8085	150355.6959	153174.0867	143569.8712	110134.9046	104901.5282	102388.4960	105482.2446	92731.0347	91924.4345	85992.4979	92917.9908	56796.8683	58266.9694	59714.1311	64451.9506	69540.6207	70515.6435	66332.7233	75713.3219	81436.0718	49506.3631	49291.0318	47693.5053	50055.7803	34051.1713	56718.0511	59331.8178	84514.1658	70645.0025	100386.5486	40609.8691	42964.4798	45598.2642	37854.2947	27541.5347	48283.3787	80800.1378	69867.1201	48413.9641	49167.1565	44730.1296	65041.8875	42537.4625	32668.4080	28137.4995	73189.1557	69200.4302	51569.6529	7868.8535	99110.3825	40554.5495	61545.4947	47004.4015	37235.4189	54644.2508
gamma-glutamylisoleucine	11875.6173	9916.7957	10991.6747	7288.6714	9104.7740	9413.0124	10466.0932	8600.8313	10944.0630	9486.8784									10774.5738	9702.2201	11512.6901	10864.5986	11901.1464	10720.4405	11193.7527	9595.0642	11380.2586	10139.7991	11511.4465	11998.2049	11501.7377	12363.4670	10828.7301	9008.7301	12215.4890	10027.3972	10569.8117	9495.1295	9965.0515	11283.9053	11698.7294	10898.0542	12491.9737	10104.6763	10843.7912	9258.2589	8540.8199	6465.6900	7023.9458	6877.0150	6847.3513	11705.3171	7925.8128	10129.7514	9537.2775	9063.8194	7850.3462	9263.6392	9498.0181	7562.4161	9255.0440	8191.0093	9779.1281	8930.4255	11298.1151	9522.7938	8484.4700	10282.5315	8962.3053	7846.8167	9719.9034	9384.3668	9633.8576	8963.2338	7809.7317	9455.4106	6199.0532	9563.6033	8241.5494	5633.9031	6929.5673	13650.1181	11566.2625	8944.4471	10584.0979	9823.0160	6539.1913	9476.9280	8803.5214	8672.6986	8459.1425
gamma-glutamylleucine	77988.6793	62504.0235	76182.4075	62453.2106	68917.5125	72579.0785	66183.2201	65181.4646	92867.4442	68618.7897									73111.2088	65586.1858	64602.2539	66481.3399	65038.9359	67401.1731	68642.4006	64888.6421	67229.8228	66441.1767	69498.8626	61966.6741	64722.2677	61942.0769	68963.6918	64170.1982	63957.8323	69284.0795	64457.1700	67523.2301	66054.0424	15089.6136	13148.4152	14495.8729	13494.5791	75896.1268	73596.4219	75246.3306	74221.4518	66793.2704	65246.0408	67097.6810	63905.8517	67409.9110	55379.7757	75080.5661	66376.5876	71006.0225	67063.9219	65933.5222	72203.3911	61320.4824	66636.1085	61325.3208	63838.6800	66449.1815	66675.5257	75981.3146	66442.5371	67995.2038	72763.1006	53020.1141	55606.4115	61788.3409	70923.9864	71792.7914	58636.4763	68052.0390	58223.1232	61350.7668	64946.0322	57096.0742	57331.9102	80346.3833	70847.7793	61843.1385	59234.0267	70787.0200	49612.2722	63554.3107	54522.3785	62315.0011	63515.9383
glutamate	769388.2189	620674.3282	781784.5514	617396.6370	715095.6427	693065.7191	709508.5506	645910.3520	32950.2175	616269.9063									543563.8253	558731.3613	508989.3399	533166.4509	524793.7465	529884.3946	510242.1497	501100.0857	498045.0877	523803.8013	558140.2489	538449.9522	578562.8296	624828.3285	558279.8589	611808.9232	569779.7564	521519.8929	522880.5403	500411.1292	513841.6384	90098.0497	89227.6592	90032.3538	110114.6822	603644.6147	587059.0018	520567.3699	517311.8520	787592.1572	767923.1039	738149.0844	724390.7762	634499.4109	583490.9923	739755.6628	697623.5134	694832.9926	732066.8461	672036.6488	641516.3693	592004.4490	723518.6822	585673.3341	616208.6159	658031.6107	616208.4873	698662.2541	569623.9858	646523.3604	631218.8234	561180.1922	560938.8869	753131.7604	584127.8135	623810.0968	561917.9169	549726.6887	704998.9036	608174.0230	652310.0118	849675.5300	743587.9841	631148.4423	22423.7012	870638.1750	614212.1452	690671.5341	703298.4579	599317.4373	538378.1594	725278.2603	484619.3620
glutamine	332939.8887	299766.8021	305248.0052	261473.8241	283868.1535	346656.9800	294725.0042	277182.3058	278016.7161	286449.8790					6908.0000	6862.0000	1522.0000	1422.0000	265492.4606	270474.0669	273490.5249	276804.8035	266533.4356	274985.6928	273546.0884	271786.2672	289614.6954	278916.3883	272153.7893	261254.2817	274414.2720	276261.3691	280313.3542	271836.1724	271252.9278	259267.4718	277755.8380	274618.5896	285180.4219	119046.6181	118068.3725	129785.2000	126752.8106	344451.5395	349060.8365	363254.6310	382627.8638	255762.7536	276168.0849	289441.3595	283923.3683	347191.9715	321808.4713	304332.4646	303367.5474	298396.1867	326066.8138	337444.3467	333184.2702	308311.8011	287976.9008	318038.7059	300124.2067	304867.9178	277988.9498	290206.3322	323624.1400	280675.0628	286805.8909	300043.2219	300618.6657	288382.3955	284536.3630	276539.0553	281434.2311	291317.5716	259792.1486	252858.0171	294633.8856	300356.6916	280076.9649	280784.0909	252115.4418	271631.0365	249548.9289	289280.3596	301764.7092	281511.3512	274174.1634	249498.0618	299617.8580
glutarate	6684.7567	3994.8040	3912.2958	7012.2712	3452.2943	3791.4662	12457.3112	4381.6748	3771.2661	3384.6595									4939.6510	4761.0855	5292.1629	4873.1011	4596.7214	5550.5820	5216.0179	5161.1013	5027.2050	4817.5678	3386.8318	3896.2231	4389.0555	3539.2803	3644.9990	3843.2734	3698.9995	6209.0964	5819.0152	4957.2227	5832.0711	8654.0496	7756.4289	7493.3956	7794.5587	3121.2937	4723.6688	2744.4361	4326.3827	2617.1000	3700.6594	3232.9831	2550.2834	19695.9596	4650.2660	8317.8814	8203.2731	6707.9306	2951.3300	3114.4576	5755.1323	2941.7989	3559.1511	3869.3641	3834.2406	3984.0085	3204.8588	4004.3823	7846.1838	5270.4000	3645.7943	1260.4512	3742.8048	3043.0613	3430.6325	1684.6525	2804.6185	3425.8756	1634.2043	12600.5129	4026.7823	2101.7915	2799.5796	7850.0523	3567.6862	7465.9097	5030.3851	2840.5721	5795.3993	2609.0969	4979.6751	1788.6355	4027.7807
glycochenodeoxycholate	63754.5995	35948.2601	39996.7123	31442.9963	43495.6807	25090.1565	17393.5557	6845.7538	15355.8822	9985.9467									25746.9073	25571.1510	23490.3465	23131.7263	23331.9796	21008.9058	25564.2262	21082.2289	25139.0253	26753.8780	29435.0253	26853.5400	23974.5184	28231.0932	29775.4923	28126.5044	24507.0103	28179.5632	23450.8090	22455.7471	25904.8728	13702.2588	14755.8000	13237.2002	13972.7041	18720.3736	13474.1095	11510.2780	12338.6372	10920.4927	13669.5414	10644.4961	14026.4269	18369.9450	12974.1682	65744.4635	80880.3962	130812.8669	7517.4222	9513.5995	11301.2600	7606.4010	7723.9212	9741.9527	38255.5192	40253.6363	34993.1434	50169.8467	7378.4154	16545.0433	22326.1090	7908.7587	6439.3822	39794.6098	36506.4478	54100.2713	20056.8918	48820.5668	6284.4306	8640.6947	7124.8230	5495.1963	7340.5753	34045.9292	15749.8665	36642.3864	51975.4864	53831.6448	9085.3384	41242.1304	7150.3886	13931.1474	12070.6633
glycocholate	1406986.8009	1166362.7753	1024631.5111	426910.4220	1008701.8658	639526.3548	1602308.8620	190099.2956	897874.2786	144769.0938	6432.0000	7157.0000	7980.0000	7095.0000					614088.8174	624533.7945	585625.3765	602573.4107	611859.1699	627383.8622	590994.5718	583509.4487	588289.4812	623370.4302	669381.7866	618378.9213	690880.8572	732239.9337	648362.6519	699466.7723	697947.1891	582160.4239	600533.8186	581544.6930	633675.5318	35153.1235	35143.8797	39174.4107	35110.6640	96435.0140	95658.7765	92971.8294	94604.3863	193337.3508	207549.7004	215209.5265	202747.7126	247104.9057	289106.2936	2946131.4948	1441465.3765	2505993.2025	49977.2216	431510.0768	106779.0395	147216.7151	61842.2761	19901.2628	1142473.7881	759217.2552	282753.7317	1550328.3111	45584.3859	608554.5303	890848.9477	132993.6512	120023.2789	809384.8620	766918.5319	2446105.1607	292892.0948	749296.0735	32638.3101	35327.8513	27229.9274	148185.9400	126690.5982	959173.7970	320809.2961	941411.1347	1306921.5108	944067.8529	131495.0584	1124112.2501	123205.1141	535369.3482	190228.7077
glycodeoxycholate	15769.7522	5745.4927	14187.0634	5152.4514	15266.7398	51473.1405	23971.4682	23414.7146	16799.1731	12509.3272									16654.1598	22870.0262	22558.0542	16371.2614	16075.5704	16031.0339	18875.6640	17928.0851	20331.5999	19219.4951	17884.5943	19280.2929	17569.6111	19647.0588	20361.1675	16510.5726	20476.5209	16455.6825	17455.0306	15251.9701	17312.9843	3100.5752	3016.7835	1975.9463	3335.5231	8188.5913	8859.8778	6651.7795	6270.4294	12906.1323	14518.3256	14536.1269	11607.5122	9264.6626	6450.6721	26551.8686	33305.7025	55663.4106	7610.0767	30181.5764	12257.0529	6333.2481	10267.6208	6505.6083	6622.1140	14704.2340	11293.2091	10248.4212	9563.1541	26908.7877	25287.1070	7564.3637	15140.4655	15102.9554	8544.9777	15746.9830	14154.3155	8645.1460	7265.1128	3980.5190	10011.4684	6817.4663	11274.3580	15426.1174	10443.6035	9486.4500	7560.4104	18017.2351	13402.0290	115553.6031	8350.5393	7998.0097	14492.8271
glycohyocholate	1286863.9758	1302219.9551	945788.4109	497858.7142	957525.8112	695494.5721	1300708.1042	174576.8556	611626.5824	147116.5566	6198.0000	6302.0000	7834.0000	7074.0000					655350.7022	638535.8168	618011.2550	643325.7432	631425.9788	656084.6940	633525.8698	648510.7180	677870.5956	641113.8094	607003.2515	578184.4215	607731.1810	595909.5156	604305.3691	610053.8140	614849.7764	624198.5595	626784.9095	623726.9593	673520.5143	30388.2599	29705.0638	33550.9075	26842.3701	93397.6253	92849.5405	98870.4291	100311.3228	183129.6285	191160.9877	199841.3927	198152.8892	295745.5036	355987.4755	2907529.7734	1499216.0735	2621031.2379	44839.9193	420858.6262	99794.6404	135655.3770	50696.8003	26760.6458	1316610.7222	765929.6621	327055.7992	1633962.6805	47827.3043	583822.3033	847472.5567	146030.5923	129857.7684	788146.5428	1022793.7020	2687366.0576	346628.6313	969194.5753	28744.3013	33894.9848	26224.4040	114845.7525	107182.1003	971541.5249	275254.5625	815322.5325	1351198.6528	937062.1154	115590.6957	1126774.4375	120434.3934	443458.3999	250108.5165
glycohyodeoxycholate	20902.2159	20010.1642	22557.3295	10610.5726	16366.4256	12774.6884	12357.3213	8690.9418	9734.9559	7705.4321									28908.4889	28706.4439	29126.7123	28345.3814	28130.0919	27530.5333	28167.1913	30185.5023	29508.3307	21182.1553	19640.4633	19587.7582	18308.9552	19083.8407	16861.4621	19867.7453	20403.4704	28420.8678	26998.6105	29463.9044	28669.1873	10718.9473	12335.0053	12798.5001	10840.4501	6481.9531	4910.8403	5061.3818	5410.2690	5828.4472	6357.3530	5590.4054	6097.9510	32091.6219	22173.9965	38152.3477	159792.5052	381926.1748	6947.1392	10966.0261	31256.3417	6763.6817	17903.0760	11053.7227	107939.7525	100198.9803	43978.1476	92686.9789	19140.9817	13363.9980	22807.1018	6435.2971	15374.4640	13131.0098	14834.0812	27322.3446	10479.2462	16425.8781	6320.4352	7465.1078	6827.9418	12980.3102	18147.5962	18366.1122	10675.0214	18283.3429	20420.8057	19777.5867	7633.2121	21443.2609	5589.5496	8291.1698	9498.1751
glycoursodeoxycholate	22085.6104	20460.2631	23336.1475	10989.1544	16574.7362	13036.7592	12873.0129	8846.2233	9895.4168	8086.4915									29127.4196	29178.2758	29126.7123	28844.1048	28457.8323	27984.0639	28820.5906	31034.7373	30215.1719	21755.1214	20300.5378	19846.1225	18623.3220	19616.6145	20179.6573	20577.1036	20640.2953	29110.5475	27563.5782	30068.4666	29283.6376	10768.6744	12500.3465	12985.8995	10840.4501	6979.9356	4964.2738	5061.3818	5585.1071	6308.0030	6663.0340	5666.5894	6385.4243	32479.7498	22250.5385	39931.0879	160575.2032	383281.5085	7183.6850	11214.0719	31634.4211	6987.0835	18068.2044	11053.7227	108458.9166	104976.3772	44101.9811	93309.7180	19611.5092	13751.8252	23585.3961	6496.4310	15374.4640	13409.2298	15338.4939	27687.0136	10532.2338	16842.4874	6379.4776	7641.1479	6994.8319	13189.2527	18320.8318	18907.8547	11118.9863	18691.6333	20719.3170	20392.0201	7774.1032	22142.0490	5902.0613	8880.3089	9661.8847
hippurate	83155.7720	92513.3843	67818.2673	126187.5730	202760.4948	59899.7964	114418.6128	71357.1583	156400.8656	41760.8664									91142.6489	86698.8951	90886.2206	87591.2833	86199.3757	88711.7736	85564.9713	85617.0264	87423.8984	85766.1853	90135.3374	82796.7705	81548.0650	81608.6807	86652.8229	79479.3678	79238.2291	88961.7803	86509.5795	88428.7936	84619.0291	68279.1274	69524.4433	69359.8856	68982.4315	136413.1972	135459.6193	134405.6137	135486.3086	110199.1918	110722.9142	110691.7936	109599.9207	60094.4901	77021.4949	34458.3458	150433.3927	74198.7065	54468.1045	22001.6639	9249.7247	33607.7714	52819.4780	57853.5513	98625.8208	69057.2967	90299.4649	113439.7367	55987.2289	88075.5245	67613.0899	96939.5700	45950.1381	69894.5900	113880.3012	101509.8305	76211.7802	107317.3401	71402.7696	97605.3153	51805.8767	74512.8145	67820.7176	82664.7703	128395.2496	138379.7489	136046.1144	245190.3550	62248.1187	65770.4463	78717.0913	77978.5931	67485.6845
histidine	49479.4208	40357.1864	45565.2421	48922.2970	38187.4204	58882.2761	51848.6718	45607.6065	44440.6664	47070.6633									49103.4152	54361.3438	56732.0288	56289.1403	51734.6313	44410.5843	53171.2698	51810.5784	56953.1612	59618.4346	44013.6019	49569.4220	164401.8957	44057.4316	51335.3546	45882.3254	46167.7702	49428.6205	49209.4214	48568.0000	58376.6945	716187.3532	726891.2279	634800.8036	823892.0393	45875.1726	45612.9937	57748.0092	54641.2797	32731.6302	34578.3658	44791.9524	40395.4849	58506.0720	44799.4177	43525.3596	46516.6800	47975.7949	43070.8981	41939.8951	47315.9899	44191.2549	48228.2125	35207.7191	42583.3734	38723.4112	35865.4098	43750.6737	51695.5698	52841.8378	48769.5118	39547.5095	32810.4021	39313.2218	47367.9705	53480.5687	42714.8306	50672.1158	51386.7249	52255.5872	46758.5277	32523.8782	32424.6317	50178.8340	44468.6583	46952.4784	46291.4362	50722.0862	39384.2784	45913.0714	49129.6473	57033.7244	61877.8091
hydroxyindole acetate	8012.9587	10809.2933	8414.2704	5865.6011	8319.6836	12175.5849	13335.1845	5691.0901	9914.1369	7634.4792									5933.3625	6773.0523	6829.4286	5725.7726	5320.6666	6741.4410	6082.2252	7513.5241	5946.1305	6475.6092	6995.0465	6855.3845	6594.7371	7454.0773	6727.2940	7401.3608	6648.3434	5597.1595	6968.6290	5651.7831	5155.1938	1927.1258	2009.8640	1681.4064	2218.6256	11790.6452	10316.2170	9192.3479	8927.5247	5941.8908	7724.4008	7434.5624	7404.7484	6085.5354	10614.5778	6597.5401	6260.6442	17911.5948	6978.7353	5038.3485	7632.3926	6575.8664	5557.2887	5370.2610	9591.5019	8509.7207	3443.4536	7480.8973	7601.4538	5681.4789	5722.8820	2209.5480	3347.5121	9145.4105	1802.1927	6797.9715	3751.4291	4244.1896	3051.8125	3829.0842	8918.0356	3470.2497	4473.7466	966.3688	4684.0810	4755.0817	819.9437	2901.2483	2032.0560	1286.0480	2291.7699	3398.9271	2433.8338
hydroxyphenyllactic acid	39169.9251	30954.9314	39924.3358	37959.0760	46058.2528	31718.4642	35562.6128	28356.6587	36733.6871	22952.5089									31021.7400	40331.0229	41460.6579	35626.3779	30819.9721	34541.2442	36876.7995	36659.8087	34868.3348	36422.8509	32428.0267	31369.5322	108783.4701	27578.6248	32852.2338	31643.9622	31853.5325	36554.6207	35151.9259	35688.4331	43152.3657	233816.2803	232711.0996	194340.4432	257251.8799	40130.7020	48717.2114	52916.3235	48554.1735	17334.9796	18693.4872	19782.4002	17410.0309	49946.4841	41755.9471	39547.4517	44914.1013	46727.7253	28118.8149	26773.7720	23511.0191	27250.8596	23936.0881	30045.1988	42837.8001	33970.7944	43753.6412	48511.0415	26992.9399	30635.2115	34987.5450	23646.1438	20259.4139	33316.1181	39230.7010	51472.0968	32391.6770	47816.8367	32802.8611	35504.1838	30730.9223	18923.8531	19994.1820	56492.1412	40500.5715	39176.3295	33556.7008	51946.6360	25211.8664	31167.9870	30188.1087	29906.7968	41485.4461
hyodeoxycholate	15908.6162	6638.9048	19206.9172	4062.0465	16841.5243	7218.1620	33214.4005	14692.7230	17173.8250	20744.8407									13923.0109	15119.8362	14031.1165	13273.8308	13325.5315	13301.9983	13462.0010	12879.7476	14207.9203	14878.1052	18543.5876	15070.8461	18152.8389	18672.7097	15477.8617	18835.1580	16239.4737	11954.3673	13537.6691	12727.6335	12656.5030	8651.3124	6855.0779	8577.0474	6409.2769	9806.7906	10381.9620	10807.6037	9948.5488	21292.0144	22514.7387	24680.3908	19854.1292	14804.5808	11199.3565	33595.7708	16531.0990	63824.0207	8945.5501	22641.1170	31738.7053	10372.4990	13098.9676	20738.3095	23143.7432	10755.0488	18439.6968	18120.3574	14813.6539	13861.0070	12352.1147	10138.5779	12459.1300	15015.0296	5419.7580	19451.1826	7245.7478	6083.5386	13196.3572	14347.8492	15257.9709	18625.3277	22365.4019	15313.2915	16378.9107	8775.9560	6550.8857	11029.4370	16365.9683	17190.0360	10891.6073	10435.8451	8665.7340
indoleacrylate	21009.9538	17268.6474	21759.7690	16596.0988	21032.1186	19386.7982	18685.9668	18865.5992	25298.8257	15570.0493									18271.7089	17755.0712	19114.1637	18417.0087	20022.9074	20231.6322	20403.4938	20082.8446	18695.2549	19557.7811	18810.1402	20227.3341	18984.4970	18215.2489	19158.5577	18259.8504	20396.1819	20209.8404	21147.7962	19725.5747	20098.8996	18253.8862	17705.8519	17353.9555	18243.2552	23845.4821	23058.5569	22624.4958	24103.9888	21819.7169	19953.0850	21085.6531	19342.5419	20189.4894	17821.7640	25904.3774	19668.9858	19916.8375	17402.6013	17136.1432	16741.5508	17339.8875	17501.9551	19381.6616	19462.7187	23826.7878	23574.6077	23313.0734	18821.0359	19169.8384	19041.1144	13811.8709	15835.1732	20403.1638	19702.9285	21940.2465	20032.1598	20006.6330	17445.7261	22686.6750	17333.7852	17529.7302	16367.9177	21045.9766	20837.1969	18926.3061	21830.2495	21950.9494	16363.1940	19394.9939	17659.9972	20539.9863	21542.7063
indole lactate	9315.1990	6735.8027	5694.7722	11824.5290	8711.4973	9133.8639	8507.1681	7444.0662	9553.9301	7598.3205									7716.4698	9687.4960	9399.3488	10278.8184	7864.7874	9628.3188	7932.9938	9616.9191	10201.0128	9687.9855	9661.5224	9338.6780	25654.4340	7668.2872	9536.4356	8841.6648	9231.4644	7569.2269	8626.2834	7860.4477	10168.7152	20160.6451	24036.0976	16646.6096	27912.4996	11525.6666	13000.7591	18074.5585	16269.7062	5697.5628	5924.3302	8264.9637	6410.0406	11671.6603	7286.4016	7967.4419	10550.8335	9570.6136	8455.3345	8045.0678	6705.5823	6718.9928	9652.1753	8530.3253	11425.4129	7736.8382	11586.7683	9510.6202	6157.3410	8829.1669	8630.7493	6119.8288	7913.7971	8477.9656	7430.9734	11214.3960	6816.4196	6829.1434	13347.1032	10636.8728	7472.3296	6342.1837	7934.8656	10394.4995	9615.5655	8916.8024	8276.1964	10523.1806	5971.3796	7219.7914	7543.4927	9328.4722	13047.6907
ketoleucine	196017.2329	117068.5101	133878.6302	72622.7074	139348.9800	60791.8088	131751.5991	85341.6004	119830.9890	108647.8113									105213.4589	115468.2583	103393.8330	127376.6894	105562.8465	122188.3398	111047.0280	118272.0731	146464.7499	98220.0550	129524.2530	80942.0709	80606.8948	81941.2366	115761.2686	109141.9302	113292.0062	103273.2622	119916.2494	129975.9356	117689.1914	298804.3944	310105.4673	332240.9873	303579.4026	179226.7020	168654.1332	205105.5468	195424.0031	61885.4088	77207.9050	85257.0424	87226.9745	96033.7185	86707.0326	120331.0954	146193.4389	101119.5528	102357.4236	94308.4881	135530.4292	91900.1632	93840.1755	76799.9492	135550.3916	158911.0060	169425.6810	142117.2951	117063.0867	90031.7786	127069.7377	78156.6669	74633.1892	116790.9254	105970.3842	127876.1262	99121.2643	87984.2144	86791.9344	116065.0334	110157.6180	94486.9665	97660.7324	151614.1395	128002.9595	109824.0681	110321.2475	145419.8492	83574.6610	106109.4449	92854.5671	124752.0905	126663.4523
kynurenate	8337.8320	3524.0456	4837.5441	12857.5853	3757.9547	3428.6728	12343.4582	5514.6725	3894.2624	3737.9285									4613.5860	4995.4659	5301.9365	5183.8037	4873.9748	5337.5764	5010.6155	5510.1419	4792.7778	5106.6399	5386.0968	7080.4665	5796.2670	6020.5125	6003.8453	5666.7461	5890.7641	5668.6674	5023.4051	5205.8844	5932.7408	8727.3962	9622.7330	10899.4236	10867.0888	5627.5775	5028.8810	6447.6612	8540.1481	2942.7209	1936.9357	2149.7421	2749.6674	42931.7058	3601.7193	16396.1197	13979.3270	5293.5134	3545.6431	3865.3244	8586.3096	3470.4069	3720.0369	7958.9496	5477.2064	3554.6361	4079.3992	4413.1647	13649.7312	7466.1683	3133.9890	2903.6365	4837.0410	1739.2434	4498.9113	4489.7533	3209.4344	4804.8270	2453.1942	11391.8421	2451.9252	2295.3772	3810.6201	25195.1593	3139.6360	9385.6580	10041.8533	3474.5177	8804.8762	4350.3402	10034.6117	1837.8044	5908.0613
lactate	1683513.3763	937562.6562	1897703.7919	1579914.3585	1505898.1536	2140655.2939	1399054.0814	1026778.2041	1102519.9331	964138.0278	14233.0000	14399.0000	12661.0000	14692.0000	9298.0000	8882.0000	9252.0000	8330.0000	1482323.4210	1459771.6682	1487805.8220	1497050.5359	1480119.6884	1474191.3206	1492661.3339	1419329.6440	1513267.6252	1498723.5594	1445218.3335	1491982.7626	1467701.7402	1484407.3594	1488812.6473	1465620.0255	1442146.0822	1460890.3942	1464396.4143	1457006.1780	1474681.7233	2037042.0114	2011997.8689	2091220.1577	2080235.3483	2090810.7725	2073048.0805	2155391.8855	2232968.9937	1130474.5014	1171605.3142	1224095.9732	1168879.0661	2940385.1520	1508682.7896	1610829.3041	1535400.2916	1818089.6353	1195638.8918	1429002.0243	1407561.4407	896744.4085	872486.7233	2520348.6999	1715386.6039	1374150.4248	1675275.4012	1108273.2894	1287653.8573	1589629.5364	1244364.2238	1307670.1467	1224507.6216	1356671.2136	1494594.2758	2053477.9827	1495211.9629	1742820.5822	1212466.6037	797686.1459	1219194.6401	1089501.6622	953836.9068	1882950.0009	1437044.8088	1830114.6374	1503188.7037	1510751.4068	1257768.0692	1399772.7874	837481.7614	1189640.0437	1643415.2853
lithocholate glycine conjugate	13332.0436	10611.2956	10630.4343	12021.4498	11875.4963														9358.3865	10327.8666	11189.9859	9532.5205	9132.3256	10738.9604	9022.0851	10334.1040	10025.5411	8411.9149	5380.2278	5828.1799	6125.0548	4885.7785	4419.0859	5182.1118	8425.6452	8327.2406	10430.9714	9631.7875	11249.2197					12557.5753	5802.1120		4635.5710	9671.1030	4656.7497	4877.1168	8516.1824	10494.3032	8656.2050	6542.5606	12582.2975	12584.9004						7159.7723	14392.4861	16536.0623	13948.2915	17380.1083						15167.2670	10320.8955	10170.8303	7183.6310	13330.9038		5658.0970				6769.1671	9326.0342	9869.2333	10558.9203	12448.9493					8323.9870
malate	768690.4615	576970.2655	700028.6983	613281.9529	610816.6856	770638.5534	552178.4421	467870.5962	533430.3514	504231.6465									524742.5364	562236.0949	517073.5662	596905.0292	494171.6943	534800.5195	500432.2770	512860.0429	568444.1054	555104.0744	932596.2162	666137.2444	639022.5462	613677.8693	776264.0631	849114.9695	801121.1915	511424.6101	548242.3898	576192.5414	526458.2620	867598.9372	915462.5756	846924.5432	841639.1955	707521.6812	732228.8066	764332.3418	707978.4581	499375.1180	581053.2207	546668.6680	533392.2184	921813.0261	527455.2534	738481.1994	696351.3997	768220.2067	529165.4656	533196.2457	653462.8862	374404.7592	462035.5170	624505.7673	698843.6431	592307.6655	648066.3846	629253.5464	528810.7705	584712.5416	660360.7975	425671.4708	504904.9343	498699.7232	591363.3463	682554.4305	493486.2420	613214.5675	459774.1220	582284.4333	494324.7888	447662.7649	428496.3231	707249.1305	576512.3117	601508.6151	599854.7736	705336.5401	441813.3356	587175.9010	380776.8661	580225.5756	722185.8644
maleate	1420331.2049	1070751.2665	1238416.0117	1188015.5460	1121865.2075	1693789.5603	1139679.7658	1129921.3739	1423337.4618	1053048.5332									1049368.5276	1090289.3475	979922.0906	1105635.8793	881666.4334	936415.0678	871983.1743	911816.2607	1004796.7089	320254.6375	470486.8613	298079.6395	324194.1970	317237.1602	417952.5599	404727.3938	390675.4271	969633.3086	1023069.0539	1046142.9389	915079.0185	478337.6111	481498.9695	497267.2137	442124.8869	1695823.2423	1633305.1550	1682344.8917	1524948.8125	1194520.6583	1401138.0315	1204425.1729	1228648.9458	1814336.8832	1032357.9179	1333245.1481	1430851.7320	1389689.4760	1241079.3821	1297675.9101	1365563.1837	877265.2380	1139418.4570	1307474.9336	1314284.5326	1252863.9534	1131962.6247	1378768.1368	1195208.0954	1451232.2525	1429288.9633	1089900.7071	1280456.0542	999474.8016	1236179.0162	1436145.6948	1056683.1713	1426089.5007	1181977.9025	1321565.0571	1294348.3418	942241.8474	990698.6573	1231973.0713	1143881.0398	1169781.0421	1083639.1095	1497671.0389	1000264.1125	1404577.2660	949553.2557	1225321.9041	1460524.4660
m-hydroxybenzoate	10828.4004	12929.3463	8125.7683	17950.1657	20827.8174	14182.3756	15924.0218	10138.9455	19950.3009	13081.0575									18683.6798	15537.0798	16651.7486	15701.5611	15409.5418	17137.3366	15960.8988	17545.6033	16515.7233	17923.1403	17979.2261	19601.3047	16090.7957	17825.0840	19768.9642	20541.3195	18180.8359	16355.7430	18926.7011	15645.5641	16553.7443	12858.2004	11282.8812	9743.8231	11224.9065	15360.6722	15303.3273	13528.0179	14752.0912	12885.7799	17605.3431	17305.1238	14834.1145	7056.1693	12654.6883	8001.6593	9604.5828	7004.2971	10437.5819	10398.5163	13754.2947	12506.0888	11856.7207	7739.7236	11975.4225	7887.7821	10922.0411	12316.4938	11248.9983	13046.4671	8931.6061	11319.4811	9449.6852	10072.6131	16118.2762	11064.2000	10132.2532	10573.9620	15692.5263	27343.5650	13322.7672	14460.9173	12123.9058	10908.9928	15416.5418	15731.9168	16253.7418	22538.5522	13948.2821	13480.8389	15662.5761	16053.7366	18836.4471
N-acetylleucine	31088.4089	21509.6690	27771.8385	26675.9406	26161.6650	27579.0890	19217.1892	15589.7880	21299.3990	19137.3880									21328.6287	25390.5425	25933.3359	23759.4927	23155.6540	21994.6395	25490.6797	24230.1091	27783.2377	29972.0033	29677.2261	27116.5719	82155.9845	26685.6948	26608.5714	26600.4872	26484.4743	21239.1817	24329.4147	23283.2463	25963.5003	14303.7479	11957.5125	11504.8393	14275.8586	20319.3686	22578.4319	27693.0257	23284.2043	12618.9853	12447.7405	15284.6891	13645.7723	45195.6017	27818.0896	30378.0521	34812.6183	33854.9276	15458.5324	19347.7925	20256.0411	22710.7757	14593.1309	24227.7521	32446.6420	22022.5783	31000.3732	32047.0068	21262.1466	23897.3642	24051.2197	20380.3247	13384.1423	19406.4152	23802.8972	30388.7860	24322.7220	29389.0572	18743.5672	16238.9051	18216.1884	13066.9367	14665.6468	31255.4396	23552.4233	25987.7610	18735.3121	24775.4343	15244.5589	19565.7617	16048.3516	29100.2370	35769.5381
N-acetylphenylalanine	8392.4010	9075.3970	11874.4779	7336.6554	6244.8907	7244.0367	7046.9444	5073.5193	12423.7148	6923.0339									6874.3198	6649.8012	6504.1262	8384.0805	7853.9378	7426.3253	7658.5919	6541.0604	8706.5207	11868.3303	12305.9378	11148.6519	12415.9356	10442.3124	10638.2377	11262.4096	12344.8845	5634.6830	7633.1745	6566.9816	6695.2426	5306.4944	5928.2272	6384.3887	5145.8937	9838.9528	8685.6039	11547.0520	8189.2826	6397.4764	8025.6526	7772.1933	7167.1274	10000.2897	6444.8318	8226.6153	6473.3731	13736.8706	7708.0359	5180.8451	9588.4105	8217.5479	6265.0463	8420.4404	9253.9487	10176.3336	12706.0530	8095.8685	8552.6880	4916.7982	4754.2272	4372.9258	2923.5309	9417.9109	1508.2037	11125.2912	8248.4736	5647.2877	7309.6963	6494.6512	7650.7403	7669.9523	7248.2149	5471.2726	8914.6655	9189.3732	2772.0490	6237.9569	6135.7255	6403.6161	3924.1073	6016.1416	8301.3480
N-methylaspartate	16867.1054	23627.1023	14594.5397	15480.2584	13982.2890	30189.1970	13054.4716	15413.8375	18324.1887	17590.1607									30641.5793	14549.9229	31974.7912	21021.1482	25149.6949	29677.9076	10273.1822	36516.4919	34194.4937	37287.8238	30511.0307	30741.1696	39225.0335	29120.6584	29949.4358	32050.0886	31253.9696	26126.6658	11556.1908			50026.9403	51885.2632	37528.2257	51690.8055	22774.2635	21175.3654	20001.3604	19231.1623	18584.2064	20483.5530	22068.2502	16848.0524	15558.7247	19658.1664	13701.4015	19358.2471	20324.2778	18887.5346	16899.8861	20855.0578	13924.9712	18537.1258	10447.2818	14203.6126	14127.8321	17096.3981	20887.8749	19525.6778	19100.2559	18304.1024	10836.2852	17840.4171	16054.6021	21548.7044	15463.6046	13295.0180	13802.3574	16888.6718	12865.0412	14633.1606	19751.7380	12553.4840	15496.7298	16110.8700	15155.7010	14297.8391	19755.7813	11462.9544	15181.8483	13826.7272	18202.2551	34737.4538
omega-muricholate	255500.3186	77349.1845	201318.8794	57409.4626	105258.3054	90879.6542	170435.2284	88770.2762	106437.1567	119304.6560									107898.4990	110186.1303	117051.5072	124718.5474	114811.0243	110103.2062	114101.1784	120424.5600	127120.7180	98658.1096	98112.2437	88939.3765	89516.0413	95618.4839	90941.4536	111065.9558	99586.9661	106408.5012	106011.9741	105705.4699	116097.8392	31613.7905	32616.4647	30023.5050	29822.3569	103288.2046	115312.5534	113193.0894	110822.0076	145731.3918	161275.9639	167634.3166	183814.8207	27732.0642	6556.1207	627756.9384	206188.6152	138517.4474	58475.7117	79819.7798	11237.9546	87375.1681	9424.2550	13791.8460	54060.5267	238808.3933	35864.3704	56567.8943	20548.3471	90219.9011	403722.8255	56651.2854	64774.3600	269394.3863	75697.2758	119417.3670	82450.1095	96753.6187	53882.4517	70873.3468	68476.4384	22842.1502	35985.5627	145870.1059	87275.5660	49432.3018	51985.2207	170903.4883	55106.1505	139692.0622	57096.0904	53675.0109	161030.3678
phenylacetate	5799.3538	4955.3707	4148.7613	9396.7128	10801.2902	8516.0861	7629.9800	27296.4820	23003.7817	9273.5174									11874.6560	11502.9885	11382.6624	11587.6996	12545.7156	13631.4168	12351.6717	13810.4635	12708.0371	10518.8173	9358.8492	7825.7729	8783.0555	9476.8681	10380.2915	10182.2569	9728.9350	14623.4682	10812.1894	9492.4882	8954.4352	4220.5639	3575.2918	6372.4967	2944.9407	8046.1495	7975.6815	8387.2696	7641.7188	8405.6582	7174.7947	6390.9739	7895.2900	3079.5135	4068.0143	5391.4513	4683.7715	5995.0953	9110.0086	2534.9787	9500.1329	12806.8477	7554.5499	2324.4598	2837.3790	8665.7188	4019.1184	3029.9070	6828.7253	12576.7295	8950.6475	6838.5856	10263.2033	5446.2792	5172.6178	7324.5306	24723.5643	5827.4608	5000.8170	8013.4690	38340.5003	9023.0924	10741.7106	4654.8288	6929.3868	7140.2278	6003.4462	22375.0260	16497.7238	9880.1333	10012.2938	10100.5291	14521.0519
phenylalanine	1072094.0578	836495.4933	1025729.6584	1003092.8663	1010324.7547	1133377.5288	946812.4197	940069.4764	1186475.3729	818346.1631									999426.7290	1002375.8179	998173.4915	1000990.3939	990389.5954	1001930.7290	1009336.0778	1002452.9568	993060.7601	1020348.7698	1056090.6878	1049413.5187	1066488.8537	1053144.0596	1052232.2128	1051400.3584	1048476.8817	988123.3608	991882.6444	1018799.6845	997798.0529	854672.1396	853393.6887	861291.3635	851341.7109	868864.2891	847120.2975	906839.4363	883165.5344	845538.3495	849650.6235	872731.7903	872389.4570	1095072.8257	852589.7595	1088686.9404	996605.6264	1079021.6808	891627.1056	842922.3062	932607.9685	901510.8805	804512.6019	984018.1211	965831.0394	989270.0424	1017749.7420	1003896.8376	1025944.8143	964723.0537	929670.5719	749169.8054	807747.9077	917296.2086	1008673.5675	1107147.1224	956787.3015	1063954.7294	931953.2410	994845.2416	942084.8568	845771.4428	847428.5756	1152955.5446	970346.8262	1104139.8004	964142.1702	1048613.6566	826719.7559	996539.5692	820953.3702	1037359.9652	1132091.5096
phenyllactate	3331.2077	2260.5195	15207.5833	5516.5337	2691.5538	30596.9178	5653.8701	1693.7504	4040.0613	79727.1522									30849.9788	30559.8718	31963.2240	31497.0847	29733.7614	30835.3442	29783.9880	28931.3310	29363.5270	30568.6181	27925.0931	26063.1868	26326.6428	29356.9599	27747.5252	27436.8235	26322.4898	29834.6208	30496.3898	29925.6417	27100.4682	13100.9431	10202.6619	11608.7605	13176.0283	4682.8487	4727.0471	3917.3208	4369.5346	3589.6129	3185.3132	2701.3395	4166.5294	13293.3838	3505.1551	4491.7940	3351.4827	3765.3573	83122.8129	88231.9146	144824.9627	116064.1729	51441.3819	2278.1373	28870.9558	2370.3159	7682.3639	4371.3926	63944.2982	23519.5280	1660.5695	9115.0757	56441.5994	8308.5696	1830.4366	3097.9554	1504.8356	2234.6627	2186.4597	6774.7857	2905.1419	2730.4330	47189.9985	2798.9188	14118.6129	6541.6685	3794.6397	7657.1210	2796.6262	6792.0651	56923.7253	4883.2871	122420.3939
retinoate	26727.3735	24941.0550	28952.1559	31659.7202	26842.0232	25810.4358	25076.1087	29077.1849	25072.2613	28858.6358	9579.0000	9316.0000	10875.0000	11621.0000	8403.0000	9294.0000	8138.0000	10877.0000	31081.3996	31284.8385	31543.6807	31424.3321	29166.9782	30856.1101	30439.8845	31844.4292	31759.0350	28190.9382	26410.0644	24653.3360	26215.8624	26720.6556	25538.3588	27699.2442	26550.3148	29703.5963	31098.9067	30789.2180	32449.7501	22914.9730	21552.5444	24609.5126	25301.8783	12116.2111	14671.0220	16675.0791	15676.0736	11869.2550	11822.0361	15344.1068	14430.5419	28281.9200	28047.5828	26104.1308	30684.3647	29890.2095	25192.6433	26399.8777	27074.9773	30938.2589	30110.7076	29259.4345	31924.0533	30133.5011	28246.2181	33608.0784	26917.8920	30276.7601	32186.3920	30723.6006	25710.3501	27169.8955	25045.5885	26668.8194	24453.7822	27269.7954	35472.8376	28603.0015	26667.4934	30588.9833	28091.3178	61030.4170	68789.7270	61517.7630	143669.3889	43535.6777	26123.7275	24260.0354	23776.2321	27965.7850	35190.5528
S-allylcysteine		251009.2871	256725.2128	296087.2267	216045.1622	285860.2753	221039.2129	302277.0292	395780.1043	417828.5492									208502.4343	217162.7648	251392.2836	245991.5184	245503.3592	226908.2046	233755.9489	231968.6255	232904.0533									220149.0950	226560.2354	217872.6461	242119.2768	12021.2531	12176.6004	8919.0672	7616.4860	166690.8672	174767.6174	166702.2884	161728.4716	111876.3666	125444.1833	118229.8138	121410.9304	184954.8414	79460.7337	88466.0151	42098.5061	68357.0175	58174.3011	92700.4720	164558.5964	38508.0302	38105.4359	20522.3774	38542.8916	12939.9465	66909.2226	26672.5496	54536.4062	33074.9759	68519.8756	9797.8946	29352.5008	104506.2826	201295.2885	33814.4338	61580.3703	33648.0810	99142.6935	222702.9366	144069.7112		152553.1704	485800.3680	428601.3078	205276.9397	322293.3161	237834.2228	139247.5295	291021.5170	244006.5755	291927.3901	259322.4982
serine	20722.8205	20655.6290	28848.7902	23807.0876	18126.1459	21743.5324	22687.0717	18017.7418	28904.4091	15994.0739	1375.0000	1111.0000	688.0000	788.0000					22352.6957	20196.5468	18379.3047	22936.6855	19016.1293	21172.6807	22901.6808	23956.7812	26662.1050	28054.0005	31524.8669	27034.9790	27848.5880	25892.2232	26444.4420	26089.2287	31182.0236	18953.4041	21312.9946	20652.2317	18689.3096	28703.5325	31365.8852	28030.9466	30665.8755	23219.6878	21865.3808	21764.8061	21039.7607	17334.6661	14686.3466	16279.3012	18017.7073	22360.2096	18029.1055	17458.0747	20653.5156	26460.1682	18862.9195	20058.0919	22152.3888	18755.6473	23176.8137	14503.6483	16663.4120	24124.5196	20197.0688	24331.7489	23168.7396	20518.4073	26546.0625	11217.5052	19057.0904	18739.1102	16006.8947	27470.8215	19589.8494	22503.6191	19281.1239	22400.2217	24329.4042	18115.7795	18128.1646	25834.7978	27052.0983	21012.4313	29644.5273	25229.0702	14790.5397	16488.3905	17213.2094	21034.5316	20784.3945
sphingosine-1P (C18)	1187465.0836	713375.3024	939060.1961	624403.5282	714003.1883	674691.1466	847505.1720	726106.8886	390651.1961	1208782.7850	8914.0000	9998.0000	55547.0000	25812.0000	36861.0000	20818.0000	25716.0000	19844.0000	980120.5731	1105059.7818	974600.1682	1142809.6223	942109.9890	1014236.9980	927397.7119	902532.0724	1109394.7445	852823.1554	1191949.5897	743604.1566	781334.3160	753171.5273	929433.6663	995302.0412	945116.4281	970673.7558	987470.0918	1030618.6360	967958.4292	639399.1494	619982.1742	594453.9782	531865.4197	924350.5058	895137.6190	845783.8504	779606.1411	902355.2498	1096597.0036	904947.6036	918374.1566	1311440.7762	1196352.5879	1236592.0678	817402.9941	1099714.1858	1118689.7837	1222197.2889	2022378.9599	1247752.9788	1206984.0058	411997.2851	1121610.5283	998358.7614	1501903.5289	881147.2332	1925278.2675	1353405.9447	1915675.5629	1231333.5604	1146759.5423	1084315.4867	1496462.2616	1477581.5306	1024401.3791	1057254.3238	773280.8872	1599320.8530	807595.8599	552345.2814	1144025.2271	1237895.1329	644856.4272	586204.7916	1249130.4515	1164825.7706	675054.3457	624487.0776	1154353.1728	829978.4848	1042098.5154
succinate	251818.2275	209227.0809	316617.8424	276718.5753	253511.8550	350516.0962	176924.3492	277059.8548	292684.3505	153062.9629									201340.9997	191701.1562	231033.9577	198516.0224	225822.5093	208287.4203	235827.8656	270740.8851	216774.7658	228493.5385	228258.0193	245818.9335	242182.0559	208066.2395	234553.4041	248146.7597	210764.3089	184734.8763	211824.6249	232895.0620	248397.2813	660275.3280	772638.9479	609387.6864	817224.2976	290572.6704	257218.7562	281996.3346	272641.4656	218879.1498	232301.5378	230720.3190	219797.8401	366960.6786	232742.2729	239411.3010	239198.8809	273114.9359	215076.2675	113072.0567	126430.1043	192496.5395	190896.2967	250074.8061	208256.4143	187591.7291	200080.3030	219936.8430	302312.9936	222241.8371	192458.2102	99324.2309	171900.4873	173095.8731	189673.0604	234507.7907	173590.6723	326905.1984	246087.9797	233445.5530	186454.5960	189584.5096	111867.1980	319559.1424	224393.4803	248367.4729	222345.5167	216214.6381	180229.5500	206979.7800	194183.8626	155987.6549	179855.6117
taurine	10024557.9361	10538819.2816	9706572.9042	10293461.2535	8266823.9607	11137622.4829	8620428.9733	8095662.0855	8243969.5423	8896215.2127	24812.0000		4704.0000	6561.0000	47274.0000	48141.0000	13667.0000	13258.0000	8556578.2880	8422418.2641	8235792.1158	8026864.2781	8127364.2118	8268761.1867	8120204.9291	8372307.2021	8949890.1419	8649341.1455	8530438.1149	8465625.5265	8026942.9953	8221168.3448	9993354.7051	9719955.1558	8593662.9108	8516977.1192	8332719.5612	8297806.3824	8122594.7892	9193572.6880	9044552.6453	10178028.0936	9524692.1652	12229323.4238	12297398.7685	11046126.4678	11318498.1411	9528816.3362	9228972.9262	10167457.0091	9642013.7040	10465062.5036	10166442.4306	9340082.8331	9840768.0596	11305890.6837	8669408.5161	7556807.0068	9804915.9906	7536034.5112	8686943.3201	8009300.5988	8587721.5222	8798533.6850	11210090.7388	10922805.4521	8260797.0134	9009466.4284	9130559.5025	6236145.7844	6875564.0658	7958380.0405	12029529.0743	9736402.1058	8206322.3882	11223206.5158	7264090.7817	10783005.6572	8343500.8657	8143623.4459	6325743.2100	10244721.3921	8875408.8450	8686806.1825	9101146.2313	10104942.9895	5792447.2526	9044439.7101	8276778.9087	9329936.0819	11024163.0302
tauro-alpha-muricholate	23680.8234	7627.0998	16897.7370	8357.4354	47190.5019	19808.8241	115969.0400	17208.7374	36170.1880	46221.6772									23059.9219	24497.5078	24338.2810	28087.8082	24487.0125	20608.5170	24709.5365	24983.1625	25556.8885	23907.8724	23235.2004	23258.3261	22808.3969	23340.1427	23551.1529	25933.1409	22484.1065	24353.3696	22486.8957	28128.0108	24363.4528	1528.1439	2080.9830	1119.3496	983.9746	8789.1758	8770.7921	6804.7025	6856.5269	5105.6131	5230.9900	6525.9700	6105.2773	22787.7179	18413.0180	56630.9757	21971.2684	46068.4644	13744.6289	33563.9863	44793.9996	24334.2717	9924.2514	5702.2768	37038.0052	14985.8810	8227.5402	34273.8166	17222.6769	26163.3191	71446.2144	46853.2306	11153.7528	21662.2641	31026.5513	42703.2910	5144.3490	13795.2635	8480.4230	15587.4351	9464.6287	9697.4187	22861.0551	12647.2786	4654.2761	8164.4258	10218.5873	5625.3714	8497.1201	14363.5683	15025.1462	57253.7203	17414.5044
tauro-alpha-muricholate + tauro-beta-muricholiate	23910.6446	7809.4281	19648.2510	8649.4099	50540.5635	20093.9647	116954.6973	17427.5056	38996.5840	47229.8113									23355.2109	25050.7872	24519.7595	28276.9131	24545.1163	24217.7143	24970.9569	25034.5182	26251.9841	24378.9915	24165.0717	23766.0288	23091.2901	24444.3836	26052.6325	26435.6576	24060.6176	24687.8268	22719.3087	28287.5177	24725.6046	1839.0128	2171.2074	1168.0803	1112.8284	9717.3535	9400.4714	7353.7819	7478.1638	7893.0130	5777.6920	6999.3773	6463.7428	23134.8672	20432.8653	57433.3942	22288.6848	46185.4893	13984.5003	33721.9493	45123.1773	24719.4557	10423.5056	6114.1023	43654.8955	15291.3501	8422.0093	34595.0007	17335.4687	26606.3934	74357.4639	48562.2782	11597.9461	21987.3959	31054.0688	43045.2133	5371.9396	13915.6054	8664.3820	15934.0327	9623.1921	9799.0246	24099.5707	13008.9880	4777.2611	8410.6400	10353.4188	5905.4202	8659.2184	14783.3543	15291.9103	57512.6304	17748.8745
tauro-beta-muricholate	23852.9006	7809.4281	19648.2510	8649.4099	50540.5635	20093.9647	117011.2952	17427.5056	38996.5840	47229.8113									23355.2109	25293.8518	24535.1227	28087.8082	24709.1190	24358.2831	25140.7355	25080.4679	26499.5109	24378.9915	23862.8346	23766.0288	23091.2901	24444.3836	26455.5700	26828.9316	24060.6176	25033.5579	22683.6971	28420.6032	24871.2218	1708.0088	2335.6487	1168.0803	1153.8273	8979.6646	9072.9415	7680.2615	6856.5269	7893.0130	6028.8522	6999.3773	6463.7428	23134.8672	20575.5387	57354.3153	22139.5103	46185.4893	14169.4011	33679.8259	45123.1773	24719.4557	10801.0928	5854.9536	43654.8955	15291.3501	8422.0093	34460.7077	17472.2809	26606.3934	74516.8695	48562.2782	11329.8647	21987.3959	31382.0776	43045.2133	5371.9396	13851.1366	8744.5916	15934.0327	9623.1921	9799.0246	24099.5707	12938.2436	4777.2611	8410.6400	10413.6843	5804.9149	8548.3580	14783.3543	15291.9103	57512.6304	17807.9345
taurochenodeoxycholate	109948.3371	122139.8940	318271.8838	58139.8137	541765.3255	36857.4036	196276.0809	43844.1519	106496.4754	168627.7098	14091.0000	10396.0000	12789.0000	13482.0000	11057.0000	10310.0000	7974.0000	10394.0000	474289.3772	482449.5008	442300.1322	523995.2833	453492.8136	494953.1095	479630.9529	522847.5932	541455.1776	410350.6167	533686.5416	378933.9338	366650.4624	366052.0883	498710.9762	466712.6931	513618.1553	432331.1706	498635.0881	521685.1219	525699.1596	275330.9422	292943.2410	287839.5296	255977.3816	29710.6995	32769.2062	40561.6682	37377.2375	36040.0786	42592.3136	42473.8126	43921.8501	1849189.2548	963638.0214	643442.9424	1812427.7063	3690597.3977	56635.0493	99142.7804	2588042.8096	108060.6341	655003.8843	706175.8181	2785589.9605	1228772.8691	766791.7844	2338246.8977	971438.0068	85884.4548	214040.4113	165583.8573	350785.4661	242402.3229	215163.0224	245384.7195	46899.0993	113581.4983	107019.9598	82225.9854	47324.6755	652350.1876	1016694.4240	113011.1819	54265.1803	98886.6846	99680.2113	92669.6612	47587.8114	72790.9263	71922.6451	64339.8851	67259.1170
taurocholate	9510710.4719	5436781.4260	13648266.5534	2942674.1616	40246141.2299	1809165.3946	25822035.3152	2944313.2352	9969978.2501	20840017.9140	105197.0000	110110.0000	108899.0000	110958.0000	89694.0000	94206.0000	89448.0000	85561.0000	8275517.1222	8014090.7227	8392033.5750	8362682.0113	8485365.3764	8286028.2739	8593263.6508	8811430.5025	8067107.4984	8262980.6107	7677804.8450	9131710.5718	8463507.0841	8927961.2692	8934067.1997	8999854.5635	9551004.9362	8134780.2799	8393708.6614	8803923.9384	8830554.8090	222012.2957	226781.5504	235040.3063	243988.7711	1008080.8807	973398.3443	1149337.4666	1171600.3553	1041046.3973	1085767.0345	1237109.8231	1251250.3786	14687381.3316	6453474.4389	28575774.7656	12519940.4146	20538143.9135	4068427.7592	5654905.5999	15186721.2893	6917016.3741	2130735.6613	2950405.5395	21130687.1082	8542446.8396	5247676.9339	24629745.3496	4579602.3880	2783598.4560	10786625.2371	12711785.7109	2502533.8432	23768474.3828	23819657.1697	17655367.9166	2145509.8751	7362867.6712	3342968.7170	5407432.0920	2530256.2400	3159992.1074	8421050.5746	5711565.6176	1244904.3884	3044335.3024	4465127.2078	4072868.9403	1615644.6771	1797939.5660	5700701.7989	8904596.0879	3246461.4645
taurodeoxycholate	312894.4801	417330.8121	400354.5400	345397.9144	212741.3131	237506.1338	330608.2487	276843.3964	281185.5262	380583.2125									368832.2745	397377.5350	431903.1045	425204.8295	435653.9623	416625.9515	420118.5776	420384.3215	441274.6153	491306.4144	506018.3054	472457.6048	499454.1621	532576.5669	481971.4998	596758.5191	503748.1803	388055.1121	410590.5558	385327.8514	423834.7703	29596.2876	28331.0335	26879.9828	25041.5766	251971.2210	262085.6438	273491.7072	265429.1199	265366.8340	295724.3303	279185.6252	312855.4325	229260.8436	299087.8240	238009.2573	201817.0349	259438.5350	200448.3289	227772.4271	331629.9351	236509.6045	272135.9871	209429.8166	229918.6841	190454.7439	230688.3477	203307.8228	551389.5911	240322.3807	355241.1088	208502.8431	202898.0910	295022.4076	373529.5717	453335.3676	361437.4904	379997.4298	344459.9815	690501.9548	393487.7045	265782.1067	334766.5064	803443.3910	383100.6876	446575.0242	559189.6974	422792.0895	202538.9442	285169.2761	299470.7265	332521.4727	311425.8251
taurohyocoholate	874126.8973	700631.4964	2087188.5808	390155.8718	5093384.7274	371808.7073	4576418.3394	452493.6842	2194019.3614	4288856.5574	28280.0000	33599.0000	23568.0000	28059.0000	26906.0000	34607.0000	27187.0000	24975.0000	1505071.5466	1445113.1236	1479365.0787	1467767.8180	1484558.1196	1481424.5787	1459574.0812	1523621.6513	577830.5291	1536652.2521	1461744.5437	1501788.5601	1436483.8393	1446763.3017	1807707.5314	1704690.1255	1589638.0680	1454485.0471	1527033.3069	1488852.0449	1490732.2343	119550.2084	109427.1822	95976.7972	101759.9501	215569.4819	232010.5160	107781.4374	109555.6599	140534.2577	143392.7431	161231.4467	166915.4239	1638993.8505	881165.7202	3621954.7614	1070059.2523	2116879.9802	815742.0340	1089166.6302	4219538.8602	1503007.8081	570917.8137	328759.9803	1729810.5369	538164.9805	540017.9632	1933907.6872	1212539.8379	574104.9945	1483322.9126	2406841.4775	461137.4591	2192220.8964	2830493.3806	1525103.2598	152523.5904	543370.6623	727674.9398	1996242.2063	552610.3505	702599.6767	1981976.2972	536459.7990	108299.4981	106207.9469	395313.6403	440722.0624	356813.9238	464131.3902	2025387.3702	3248182.2867	1591842.4095
taurohyodeoxycholate	19298.5123	18750.2721	38507.8885	11292.9546	66359.9845	6293.7475	21040.2191	7678.2363	12627.1897	18648.3995									32532.9001	28778.8868	31430.1319	28558.5761	27022.2911	29032.5587	30541.2088	28881.5218	29342.5536	26418.0102	21732.8640	24217.2731	25863.0730	24012.2912	25295.1590	25533.4738	24812.4203	29969.8051	28111.4257	27689.8923	32653.9218	8798.0088	9168.5834	9396.1828	11798.4843	6489.1110	7308.2902	5025.4927	6154.9499	6367.8229	7162.6854	9463.9876	8817.5730	70606.0039	34175.9730	104588.4953	90047.3055	159878.3730	9689.2439	12488.3074	83848.9952	11884.5900	27190.8035	28474.3980	73542.8654	44947.0415	40125.0988	94335.0559	44883.0440	11078.8312	16884.9091	16270.2117	17567.9624	48910.1072	39446.7242	28765.6661	8881.1020	17364.7584	9901.6925	9341.1926	8542.4469	30363.7471	43810.8068	17732.6902	7132.2413	16071.5181	12072.8134	16503.6808	6612.2338	11208.1285	9553.6626	9149.9786	11869.4547
tauroursodeoxycholate	19259.7459	18648.3267	38825.2974	11356.5190	66542.1351	7089.0667	21383.3709	8037.9879	12972.7221	19167.5807									32154.8349	28652.1118	31227.8432	28751.7839	26744.3826	28642.2018	30480.6036	29204.4570	29404.5929	26607.7424	21816.7017	23965.9231	26221.6840	24314.3915	25877.6523	25652.2713	24818.3115	29969.8051	27884.1071	27568.0352	30728.3216	8976.6580	8860.0697	9138.8729	11509.1188	6499.3365	7120.7689	5025.4927	6088.0366	6462.5376	7345.4847	9662.4952	9189.8406	68839.7701	34123.6022	104520.3170	90100.3528	160375.9533	9467.9263	12433.2972	82213.5076	12403.6140	26908.0088	28474.3980	73632.5850	45132.5618	40402.2016	94118.8822	43434.2887	11448.1903	16948.5245	16425.9121	17485.2068	49140.4929	39248.8950	28675.4585	8695.6454	17355.7017	9846.5218	9714.3977	9425.4123	30687.7038	44348.3053	17526.4114	7119.3295	15979.7788	11767.7310	16653.1929	6913.3162	11311.3250	9975.9758	9971.2028	12358.5750
threonine	17516.6004	8091.6232	9634.1572	8764.1237	8779.0625	11923.8924	10244.9494	7850.6573	14316.3711	9296.4700		32410.0000	32239.0000	32136.0000					14853.6464	9422.2514	13661.8129	12277.5333	10344.9673	10930.8222	17431.0983	11165.8816	12780.6744	16464.1614	32538.4258	46491.3210	29596.8049	39662.2878	66541.3215	39905.1148	38349.3254	12102.2897	14892.9828	9645.6014	13870.6765	6293.1997	7173.5689	6101.0652	5833.0258	15473.8505	9833.6676	10310.7715	15881.8145	11694.3742	12369.0187	9122.1840	12771.1294	11811.2282	11134.0421	13187.3396	13421.2523	16766.4128	18140.7948	36972.8611	25661.9046	10803.0456	17460.2579	14300.7443	7748.8342	10081.7158	16270.6073	9560.5054	10190.1561	12252.2914	30933.2661	6052.1674	17488.7368	11958.8151	12102.4691	18302.6056	11560.7783	11173.9471	12346.4726	14272.4127	13243.8718	13522.7108	23088.4557	16314.8344	9516.4308	26597.6435	11241.6160	13272.5725	13174.7799	13046.0429	16968.0001	10177.5828	15360.4404
tryosine	901162.5294	741026.4196	873924.8109	831921.8540	1085610.3393	818272.0320	924519.4151	813227.0340	862261.4623	933837.0689									807814.5125	694409.2680	768036.9891	748341.0512	731533.8664	795873.2691	785253.4986	793384.1144	807515.1986	842468.6389	827443.1262	904786.7439	859119.3581	854993.8886	884964.8958	910572.6582	909293.0411	704808.9012	749614.1210	751451.8825	802543.1961	659307.8210	629426.4331	623141.0480	613329.9302	780182.7590	753120.9798	857256.9015	834121.9797	573341.4502	583142.5213	606151.8668	625655.3265	998711.3014	800893.2664	1145417.8826	959184.3226	1083807.7401	789041.2582	985104.7593	866448.0986	878182.6148	866785.8603	740302.1037	984414.5260	1024239.9594	1056048.2545	1135997.9357	883684.7104	903201.6018	986469.5871	896660.2678	899471.9014	973583.6371	1017868.1054	1156908.1206	1008656.5524	925577.8300	891388.0194	1222049.9146	860495.2646	747367.0388	924888.0346	986494.2245	849151.5133	1059477.1181	1000967.5168	1168693.5019	877659.2128	992365.2788	882872.3286	1096063.7369	1165744.9153
tryptophan	1971347.3203	1909385.9254	2180947.8151	1762896.5014	2213659.4906	1804587.4704	1814627.9100	1862179.0440	2575401.6523	1514346.3206									1878072.2926	1943917.4762	1910021.3024	1924161.2697	1940960.0013	1938092.0726	1895329.2173	1883546.0079	1934061.3426	1858761.3146	1870508.7391	1868130.2783	1875821.2459	1881853.2559	1894602.3381	1837230.4388	1837130.9019	1919002.6086	1920010.1984	1922822.4758	1891037.1748	1743497.7538	1730063.3705	1726567.0964	1701195.6002	2450305.7542	2422146.9548	2387614.1743	2350051.5211	2009326.0310	2015358.4526	1982685.0648	1983515.0837	2055466.1243	1765595.5959	2529124.7533	2093099.8823	2090519.4818	1768229.6262	1723172.7946	1548919.9532	1641706.7800	1700729.3122	1899942.3760	1980836.7161	2243063.1535	2133228.6279	2482755.5747	1786818.7847	1882864.9882	1811957.7970	1274080.2044	1650592.8489	1993302.4844	1811224.1642	2198037.9487	1984761.8372	1966070.1616	1817752.8331	2039504.1481	1683535.8826	1618579.7333	1628784.8957	2182910.9993	1959076.4488	2017583.8299	2070926.2038	2340685.5825	1548612.6453	1964105.5061	1631074.7374	2099480.7912	2054088.8689
urate	3348144.0698	1982721.7022	3870410.2176	4305616.3738	2897897.6484	2546984.0317	1195487.3100	1204850.7256	702306.9731	829461.5477									2505570.2551	2661106.1657	2395099.3444	2717665.0518	2348066.1584	2601180.0149	2466104.2334	2621737.6460	2855054.6555	2101217.6720	3280708.3901	2057172.2373	2024987.7934	2024964.6137	2623818.4328	2618789.8318	2723583.1677	2391092.2148	2595721.3859	2774653.8111	2575051.7813	1061130.2419	1126449.8173	970233.2672	901629.9629	2865265.3132	2807340.7303	3085562.8031	2901523.7776	648021.4116	811340.3920	758927.8728	729492.3564	8834531.1648	3062208.7451	3697378.7236	3514125.7604	5091065.9644	1213300.4389	1440858.6622	1837216.6878	766886.2345	609710.0910	5442440.6945	4464266.3292	2605052.8372	4198040.9318	1969573.8254	2714669.4435	2552351.0865	1842940.9048	1384735.9101	1205079.5389	2158135.7282	3901908.6899	5400529.9200	2912216.8668	4446607.0086	1192408.2821	1379937.9328	1925641.6233	1006141.2100	658228.3090	4419253.3250	2167633.8486	4703449.8394	2978168.2490	4358084.7480	1662540.6216	2731695.6783	711323.5823	2092399.8851	3281845.9617
uridine	46828.8856	68475.0132	79718.8103	78450.3535	63477.3065	159337.9673	56289.5884	63664.0164	120277.5108	77293.9335									89041.0356	89482.3343	79816.3573	98433.6496	95649.2525	103990.5873	111871.6509	101500.7579	114715.8551	148725.5191	161863.1485	134207.7574	156360.7265	133022.8882	133180.0610	135967.1485	154375.9274	86560.2092	97290.2200	92902.4714	87788.3747	109305.9789	108643.2522	90179.4898	100722.7520	135903.9981	110515.8916	114938.5832	111968.6104	93059.2237	101164.3891	92664.2548	83819.0261	84389.9926	54679.1309	69947.6376	62272.8113	87978.3627	54151.3769	48996.6074	44170.5336	66108.3167	50169.1563	64291.7856	72033.3175	52553.9898	80097.7157	53293.0191	87359.5184	48925.9614	91288.2407	33481.4967	52727.6304	42644.8110	54852.6734	67608.3479	73344.8634	58982.9046	53465.3887	67338.5581	63956.5400	54481.6899	51557.9951	129977.1846	78361.8244	75977.5288	84091.4630	83905.6336	35395.6881	46088.6051	59520.6660	53511.7391	73251.4365
ursodeoxycholate	135211.6574	29884.4053	70741.0315	22168.0774	65717.6828	15488.4069	47139.4042	11516.6332	15883.6748	27060.5334									96734.1689	101518.5621	90579.6284	102168.0513	84609.0018	90064.7349	92943.7505	101342.0269	118901.4244	112076.5704	169963.6645	93322.5730	87150.5110	89889.5876	113566.5229	117838.5185	119726.7039	95009.7433	98268.0940	99752.2640	100540.4647	221014.0372	223433.8851	225779.1267	214871.6646	19125.9419	20049.4255	24808.3370	24448.2880	28420.5997	34269.3365	35989.1533	33302.2064	184228.7997	89150.6631	228657.5604	462114.7732	876871.9329	15586.0705	27269.1553	196486.4341	22065.1321	113111.6206	115400.3363	408632.5306	627744.0686	194790.2892	398043.9855	121643.7109	33956.6495	92345.4741	19694.0063	52549.5953	53522.8529	27281.6930	61064.1663	26285.8824	27653.1348	27146.0708	24043.7522	27375.1082	97127.1838	88221.4373	55849.2440	43645.7289	24039.9777	21278.0849	54357.4583	12521.8230	26917.7371	13661.1568	13439.6809	40771.9993
xanthosine	34712.9550	21862.3629	25971.2194	88336.3663	31631.5041	58380.7297	26995.5975	17040.1158	20849.8395	21592.0387									72075.8685	71164.1912	81127.0037	62585.2881	54711.9821	56700.6134	100882.4165	73008.7767	66291.6913	45359.9307	91793.6826	122501.3558	84140.4121	116613.4244	166905.2459	111448.4786	107778.3250	75279.3675	100596.3601	55268.9267	64216.3406	13001.9496	15313.9036	12240.4481	11800.6599	89143.3565	62500.1886	71350.0618	103231.0898	24386.1550	24100.8726	18939.5562	26372.8913	342984.0525	121049.8364	52588.1044	70346.9133	113104.6830	33099.5430	83632.9346	45708.2152	12824.8901	18758.1452	200648.5760	92564.1730	34698.5858	119509.2570	21166.9190	84574.8021	85553.0656	76159.4447	26303.9617	35193.3451	26671.0951	123398.5863	214813.9552	70637.9747	127385.4526	23147.6384	38466.3583	70503.8670	11074.7907	19493.8458	186905.8591	26424.9483	246545.7083	76937.6199	101966.1081	39198.3118	94022.8270	21586.3630	31384.2887	239134.8912
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	pubchem_id	inchi_key	kegg_id	other_id	other_id_type	ri	ri_type	moverz_quant	
2-hydroxybutyrate						1.91		103.040224	
3,4-dihydroxybenzoate						4.31		153.017624	
3-hydroxybutyrate						2.19		103.040324	
3-methyl-2-oxovalerate						4.27		129.055324	
alpha-muricholate						9.37		407.279524	
AMP						1.18		346.056624	
aspartate						0.61		132.030524	
beta-muricholate						10.1		407.279924	
chenodeoxycholate						10.68		391.276124	
cholate						10.1		407.279924	
cis-aconitate						1.12		173.009024	
citrate						1.11		191.020024	
deoxycholate						10.68		391.279024	
deoxycytidine						1.22		226.083024	
FA(10:0-COOH)						7.5		201.112924	
FA(10:0-OH)						9.12		187.133724	
FA(11:0-COOH)						8.17		215.128924	
FA(12:0)						10.75		199.170124	
FA(12:0-OH)						9.82		215.165124	
FA(12:1)						10.39		197.154524	
FA(14:0)						11.26		227.201524	
FA(14:0-OH)						10.56		243.196224	
FA(14:1)						10.99		225.185824	
FA(14:2)						10.68		223.170024	
FA(15:0)						11.45		241.216924	
FA(16:0)						11.64		255.233524	
FA(16:0-COOH)						10.35		285.206724	
FA(16:0-OH)						11.24		271.227624	
FA(16:1)						11.37		253.217624	
FA(17:0)						11.83		269.248324	
FA(18:0)						12.02		283.264724	
FA(18:1)						11.73		281.249124	
FA(18:2)						11.51		279.233524	
FA(18:3)						11.3		277.217324	
FA(18:4)						11.1		275.201124	
FA(19:1)						11.91		295.263824	
FA(20:0)						12.45		311.295024	
FA(20:1)						12.09		309.280024	
FA(20:2)						11.84		307.264124	
FA(20:3)						11.64		305.248624	
FA(20:4)						11.48		303.233424	
FA(20:5(5Z,8Z,11Z,14Z,17Z)))						11.29		301.217424	
FA(22:0)						12.99		339.326324	
FA(22:3)						11.98		333.279424	
FA(22:4)						11.77		331.264824	
FA(22:5)						11.64		329.248824	
FA(22:6(4Z,7Z,10Z,16Z,19Z))						11.46		327.233524	
FA(24:0)						13.71		367.357524	
FA(24:1)						13.07		365.341924	
FA(8:0-COOH)						6.3		173.081624	
FA(8:0-OH)						7.21		159.102524	
FA(9:0-COOH)						6.71		187.097424	
gamma-glutamylisoleucine						4.03		259.129224	
gamma-glutamylleucine						4.18		259.129424	
glutamate						0.64		146.046324	
glutamine						0.62		145.062124	
glutarate						2.7		131.037224	
glycochenodeoxycholate						10.06		448.306324	
glycocholate						9.57		464.301524	
glycodeoxycholate						10.2		448.306324	
glycohyocholate						9.57		464.301524	
glycohyodeoxycholate						9.27		448.306124	
glycoursodeoxycholate						9.27		448.306124	
hippurate						4.36		178.050624	
histidine						0.6		154.062324	
hydroxyindole acetate						4.99		190.050624	
hydroxyphenyllactic acid						3.79		181.050224	
hyodeoxycholate						10.12		391.284424	
indoleacrylate						3.63		186.056024	
indole lactate						5.5		204.065724	
ketoleucine						4.51		129.055824	
kynurenate						4.36		188.035424	
lactate						1.07		89.024824	
lithocholate glycine conjugate						10.79		432.317624	
malate						0.86		133.015424	
maleate						0.92		115.004524	
m-hydroxybenzoate						6.12		137.023624	
N-acetylleucine						5.43		172.097524	
N-acetylphenylalanine						5.63		206.081824	
N-methylaspartate						1.05		146.045624	
omega-muricholate						9.37		407.279524	
phenylacetate						4.04		135.045524	
phenylalanine						2.95		164.069024	
phenyllactate						5.38		165.054924	
retinoate						11.12		299.201424	
S-allylcysteine						2.43		160.043624	
serine						0.59		104.035524	
sphingosine-1P (C18)						10.67		378.241524	
succinate						1.62		117.015624	
taurine						0.62		124.008024	
tauro-alpha-muricholate						8.43		514.283724	
tauro-alpha-muricholate + tauro-beta-muricholiate						8.43		514.283724	
tauro-beta-muricholate						8.43		514.283724	
taurochenodeoxycholate						9.8		498.288724	
taurocholate						10.41		514.284924	
taurodeoxycholate						10.58		498.262624	
taurohyocoholate						8.83		514.283524	
taurohyodeoxycholate						8.95		498.288124	
tauroursodeoxycholate						8.95		498.288124	
threonine						0.63		118.051724	
tryosine						1.69		180.061324	
tryptophan						3.63		203.082924	
urate						1.28		167.021224	
uridine						1.88		243.061924	
ursodeoxycholate						9.98		391.284724	
xanthosine						2.82		283.068124	
METABOLITES_END
#END