#METABOLOMICS WORKBENCH efahy_20230425_000070 DATATRACK_ID:3967 STUDY_ID:ST002648 ANALYSIS_ID:AN004320 PROJECT_ID:PR001020
VERSION             	1
CREATED_ON             	April 25, 2023, 7:56 am
#PROJECT
PR:PROJECT_TITLE                 	Molecular Transducer of Physical Activity Consortium
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 A.
PR:ADDRESS                       	300 Pasteur Dr Rm A265. MC 5319. Stanford CA 94305. USA
PR:EMAIL                         	euan@stanford.edu
PR:PHONE                         	(650) 498-4900
#STUDY
ST:STUDY_TITLE                   	MoTrPAC: Endurance exercise training study in young adult rats, Rat Vastus
ST:STUDY_TITLE                   	Lateralis Powder - Untargeted HILIC-Positive
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                     	Broad Institute
ST:DEPARTMENT                    	Metabolomics Platform
ST:LABORATORY                    	Clish
ST:LAST_NAME                     	Clish
ST:FIRST_NAME                    	Clary
ST:ADDRESS                       	415 Main St, Cambridge, MA 02142
ST:EMAIL                         	clary@broadinstitute.org
ST:PHONE                         	(617) 714-7654
#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
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA01	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0388m_MoTrPAC_PASS1B_HP-PREFA01.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB01	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0388n_MoTrPAC_PASS1B_HP-PREFB01.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed01	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0388o_MoTrPAC_PASS1B_HP-Sed01-VAS.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed02	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0388p_MoTrPAC_PASS1B_HP-Sed02-VAS.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE01	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0388q_MoTrPAC_PASS1B_HP-IPE01-VAS.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE02	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0388r_MoTrPAC_PASS1B_HP-IPE02-VAS.raw
SUBJECT_SAMPLE_FACTORS           	BC49E4EF-E2FE-4269-BAF0-461F768BD95D	90217015604	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0389_MoTrPAC_PASS1B_HP-90217015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	0BD282C7-7832-4581-9089-08A32D557034	90218015604	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0390_MoTrPAC_PASS1B_HP-90218015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	955498F4-70A0-4D50-A2BA-619A8FED8FEF	90222015604	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0391_MoTrPAC_PASS1B_HP-90222015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	CFE06932-9314-4BCC-B2D9-73883D5FCDFB	90223015604	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0392_MoTrPAC_PASS1B_HP-90223015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	3719CB62-B551-49BE-94A0-E51DFE13D30D	90225015604	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0393_MoTrPAC_PASS1B_HP-90225015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	F65955CE-E49F-48C7-B861-02A2FDF6F9B8	90227015604	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0394_MoTrPAC_PASS1B_HP-90227015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	0559B193-BED3-4170-B045-10A2B6441CB6	90229015604	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0395_MoTrPAC_PASS1B_HP-90229015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	90CFE5A4-76FE-4458-A2B1-A66F0B60118E	90232015604	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0396_MoTrPAC_PASS1B_HP-90232015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	F0D83B29-8EFA-4CDE-B1AA-2358AC220ECF	90237015604	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0397_MoTrPAC_PASS1B_HP-90237015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	FCE9ABE6-B60B-4934-BAE5-56AF8B11ECEC	90239015604	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0398_MoTrPAC_PASS1B_HP-90239015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	1628FB23-6F66-47D4-8D82-63C87726F0FD	90245015604	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0399_MoTrPAC_PASS1B_HP-90245015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	69FD4884-786D-4F2A-97B1-6174FBD25D60	90248015604	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0400_MoTrPAC_PASS1B_HP-90248015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	0D5071F5-D166-4CF1-BE8B-EB4DF6E04C0E	90251015604	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0401_MoTrPAC_PASS1B_HP-90251015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	07AF7369-F082-4CA7-99D5-D973F4A162C9	90252015604	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0402_MoTrPAC_PASS1B_HP-90252015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	2479BEE5-2A38-4D09-B15B-B1715F561A9F	90254015604	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0403_MoTrPAC_PASS1B_HP-90254015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	0A4A7935-3AF4-463F-84E3-DCF07671509D	90258015604	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0404_MoTrPAC_PASS1B_HP-90258015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	04C84D7E-FC8C-422F-AE4B-CAFADB63407B	90259015604	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0405_MoTrPAC_PASS1B_HP-90259015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	F9BEE1FA-E2DB-4BE4-A79C-99D585D6FD17	90265015604	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0406_MoTrPAC_PASS1B_HP-90265015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	A77AC89A-1D9E-4516-9DA4-2BE99C8126EF	90266015604	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0407_MoTrPAC_PASS1B_HP-90266015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	2B969165-1A52-43AA-8FD9-39AFA62F094F	90267015604	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0408_MoTrPAC_PASS1B_HP-90267015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA02	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0408a_MoTrPAC_PASS1B_HP-PREFA02.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB02	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0408b_MoTrPAC_PASS1B_HP-PREFB02.raw
SUBJECT_SAMPLE_FACTORS           	22D700B9-EDD0-4BC8-8155-EB9C39417F81	90280015604	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0409_MoTrPAC_PASS1B_HP-90280015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	1CA4210C-3CE6-4A5A-996B-673EBDEB3B81	90281015604	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0410_MoTrPAC_PASS1B_HP-90281015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	9F3E1040-D409-421E-B635-2572DC20ED89	90283015604	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0411_MoTrPAC_PASS1B_HP-90283015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	569A9229-04E8-414A-A195-FE9E8F1B66AB	90289015604	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0412_MoTrPAC_PASS1B_HP-90289015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	E4271AF1-899A-4A65-9D8D-BF18CEE3F1CF	90292015604	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0413_MoTrPAC_PASS1B_HP-90292015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	2E37478F-525F-4E5E-A882-EE75FD0CFB29	90406015604	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0414_MoTrPAC_PASS1B_HP-90406015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	A9CE3E3D-31A0-4443-8A7F-8FD831D79248	90410015604	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0415_MoTrPAC_PASS1B_HP-90410015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	3D5BC47C-BB3D-45A2-8DB8-D7ADCD51997C	90412015604	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0416_MoTrPAC_PASS1B_HP-90412015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	89D6F615-D17C-4EB9-88EB-A602940FF179	90416015604	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0417_MoTrPAC_PASS1B_HP-90416015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6	90420015604	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0418_MoTrPAC_PASS1B_HP-90420015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	6D680EA2-C62B-4A35-8B6E-2ED6A79CB017	90421015604	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0419_MoTrPAC_PASS1B_HP-90421015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	53F914B0-FD4F-4340-84A6-48341EAB3798	90422015604	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0420_MoTrPAC_PASS1B_HP-90422015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	D350D633-8D95-4783-99F2-BB8294D2EC32	90423015604	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0421_MoTrPAC_PASS1B_HP-90423015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	0DBFEB04-1B58-43CF-BAFD-9AA9915B67F6	90426015604	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0422_MoTrPAC_PASS1B_HP-90426015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	10E282EB-1DBA-406E-BD5D-81027083A01D	90430015604	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0423_MoTrPAC_PASS1B_HP-90430015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	4E974304-21EB-42E8-A729-A7FB6B406E64	90439015604	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0424_MoTrPAC_PASS1B_HP-90439015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	6527EC12-E7EB-4F17-BF0A-0AC7CD1819A0	90441015604	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0425_MoTrPAC_PASS1B_HP-90441015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	AEB1611A-F29E-43F8-B9F3-A2BC4F9EB504	90444015604	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0426_MoTrPAC_PASS1B_HP-90444015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	FDA87A8D-3634-4C42-9A1A-0EA03B58BB01	90449015604	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0427_MoTrPAC_PASS1B_HP-90449015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	CDCFA3F1-07ED-4737-A36D-15EFEC325AA5	90450015604	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0428_MoTrPAC_PASS1B_HP-90450015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA03	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0428a_MoTrPAC_PASS1B_HP-PREFA03.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB03	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0428b_MoTrPAC_PASS1B_HP-PREFB03.raw
SUBJECT_SAMPLE_FACTORS           	B73AB139-7210-4498-9CCF-E1DBE6EBA71C	90559015604	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0429_MoTrPAC_PASS1B_HP-90559015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	EA5C8932-9325-4DA5-96BB-50CD49CEDD10	90560015604	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0430_MoTrPAC_PASS1B_HP-90560015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	0645F621-878C-4C9B-84A6-58862BAA17D9	90564015604	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0431_MoTrPAC_PASS1B_HP-90564015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	68083256-8DAA-4185-B446-0CAF600474B5	90567015604	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0432_MoTrPAC_PASS1B_HP-90567015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	6A013AA1-4D1E-4B75-B691-6BA22D928E51	90571015604	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0433_MoTrPAC_PASS1B_HP-90571015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E	90576015604	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0434_MoTrPAC_PASS1B_HP-90576015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	DC8B35E8-4AA8-4829-8569-F223D069620C	90578015604	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0435_MoTrPAC_PASS1B_HP-90578015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	8904857C-2073-4BBA-AC7C-1EC239E5BFF7	90581015604	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0436_MoTrPAC_PASS1B_HP-90581015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	1F9BD644-303F-43E7-94BE-FF6654306F5E	90585015604	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0437_MoTrPAC_PASS1B_HP-90585015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	0409BED3-F9FE-4C06-9920-74F5E5CA04A3	90587015604	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0438_MoTrPAC_PASS1B_HP-90587015604-VAS.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed03	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0438a_MoTrPAC_PASS1B_HP-Sed03-VAS.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed04	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0438b_MoTrPAC_PASS1B_HP-Sed04-VAS.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE03	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0438c_MoTrPAC_PASS1B_HP-IPE03-VAS.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE04	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0438d_MoTrPAC_PASS1B_HP-IPE04-VAS.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA04	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0438e_MoTrPAC_PASS1B_HP-PREFA04.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB04	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0438f_MoTrPAC_PASS1B_HP-PREFB04.raw
#COLLECTION
CO:SAMPLE_TYPE                   	Vastus lateralis
#TREATMENT
TR:TREATMENT_SUMMARY             	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Tissue samples (10 mg) were homogenized in 300 µL of 10/67.4/22.4/0.18 (v/v/v/v)
SP:SAMPLEPREP_SUMMARY            	water/acetonitrile/methanol/formic acid containing stable isotope-labeled
SP:SAMPLEPREP_SUMMARY            	internal standards (0.18 ng/µL valine-d8, Isotec; 0.18 ng/µL phenylalanine-d8,
SP:SAMPLEPREP_SUMMARY            	Cambridge Isotope Laboratories) using a TissueLyserII bead mill (20 Hz, 2 X
SP:SAMPLEPREP_SUMMARY            	2min; QIAGEN). The samples were place in a -80?C freezer for one hour and then
SP:SAMPLEPREP_SUMMARY            	centrifuged for 10 min (9000g, 4?C). 100uL of each supernatent was transferred
SP:SAMPLEPREP_SUMMARY            	to a de-activated inserts within an autsampler vial (Waters).
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Extracts (10 µL) were injected onto a 150 x 2.1 mm Atlantis HILIC column
CH:CHROMATOGRAPHY_SUMMARY        	(Waters). The column was eluted isocratically at a flow rate of 250 µL/min with
CH:CHROMATOGRAPHY_SUMMARY        	5% mobile phase A (10 mM ammonium formate and 0.1% formic acid in water) for 1
CH:CHROMATOGRAPHY_SUMMARY        	minute followed by a linear gradient to 40% mobile phase B (acetonitrile with
CH:CHROMATOGRAPHY_SUMMARY        	0.1% formic acid) over 10 minutes
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Shimadzu Nexera X2
CH:COLUMN_NAME                   	Waters Atlantis HILIC (150 x 2.1mm,3um)
CH:SOLVENT_A                     	100% water; 0.1% formic acid; 10 mM ammonium formate
CH:SOLVENT_B                     	100% acetonitrile; 0.1% formic acid
CH:FLOW_GRADIENT                 	The column was eluted isocratically at a flow rate of 250 µL/min with
CH:FLOW_GRADIENT                 	5% mobile phase A for 1 minute followed by a linear gradient to 40% mobile phase B
CH:FLOW_GRADIENT                 	over 10 minutes
CH:FLOW_RATE                     	250 µL/min
CH:COLUMN_TEMPERATURE            	-
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_TYPE               	Orbitrap
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	High resolution, accurate mass data were acquired using a system comprised of a
MS:MS_COMMENTS                   	Shimadzu Nexera X2 U-HPLC (Shimadzu Corp.; Marlborough, MA) coupled to a Q
MS:MS_COMMENTS                   	Exactive hybrid quadrupole orbitrap mass spectrometer (Thermo Fisher Scientific;
MS:MS_COMMENTS                   	Waltham, MA). MS analyses were carried out using electrospray ionization in the
MS:MS_COMMENTS                   	positive ion mode using full scan analysis over 70-800 m/z at 70,000 resolution
MS:MS_COMMENTS                   	and 3 Hz data acquisition rate. Other MS settings were: sheath gas 40, sweep gas
MS:MS_COMMENTS                   	2, spray voltage 3.5 kV, capillary temperature 350°C, S-lens RF 40, heater
MS:MS_COMMENTS                   	temperature 300°C, microscans 1, automatic gain control target 1e6, and maximum
MS:MS_COMMENTS                   	ion time 250 ms. Raw data were processed using TraceFinder software (Thermo
MS:MS_COMMENTS                   	Fisher Scientific; Waltham, MA) and Progenesis QI (Nonlinear Dynamics; Newcastle
MS:MS_COMMENTS                   	upon Tyne, UK). The identities of 202 profiled metabolites were confirmed using
MS:MS_COMMENTS                   	reference standards.
MS:MS_RESULTS_FILE               	ST002648_AN004320_results.txt	UNITS:peak area	Has m/z:Yes	Has RT:Yes	RT units:Minutes
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area
MS_METABOLITE_DATA_START
Samples	QC_PREFA01	QC_PREFB01	QC_Sed01	QC_Sed02	QC_IPE01	QC_IPE02	90217015604	90218015604	90222015604	90223015604	90225015604	90227015604	90229015604	90232015604	90237015604	90239015604	90245015604	90248015604	90251015604	90252015604	90254015604	90258015604	90259015604	90265015604	90266015604	90267015604	QC_PREFA02	QC_PREFB02	90280015604	90281015604	90283015604	90289015604	90292015604	90406015604	90410015604	90412015604	90416015604	90420015604	90421015604	90422015604	90423015604	90426015604	90430015604	90439015604	90441015604	90444015604	90449015604	90450015604	QC_PREFA03	QC_PREFB03	90559015604	90560015604	90564015604	90567015604	90571015604	90576015604	90578015604	90581015604	90585015604	90587015604	QC_Sed03	QC_Sed04	QC_IPE03	QC_IPE04	QC_PREFA04	QC_PREFB04
phenylalanine-d8	678338	670184	634477	633160	609511	623106	638723	700150	635733	651927	649429	667541	662850	697077	738078	725786	716306	650517	703547	697835	707424	646037	706473	757654	786817	655371	678338	695873	732013	709120	666052	651862	651651	718808	781822	668353	662011	622716	680048	684167	647859	714273	588876	734421	672308	691428	662213	624135	678338	684327	637239	690745	718272	643232	626920	662303	675356	817038	678416	767797	771760	772721	769624	810858	678338	696195
valine-d8	448765	449637	451303	463491	413117	411544	450469	451555	406241	445777	433769	428348	469642	458031	496198	494638	484583	440005	468384	456612	471762	435790	469891	570594	532287	429171	448765	464294	470979	456920	441233	410490	424877	471244	528053	450860	441752	426739	464155	465688	434488	485725	402298	475460	450360	464295	423622	405604	448765	453458	403779	459945	461637	428997	408860	449716	456904	519259	434850	510195	504526	504636	505215	516503	448765	449615
1-methyladenosine	48174	46121	51426	54069	59471	61157	46833	33403	33498	33157	43451	29663	47653	43633	44860	41030	35626	43980	41715	60662	72396	34144	48014	42620	56264	52146	48174	48029	34468	40160	35446	32774	39023	41868	68157	53132	38764	48221	48109	42142	45301	41372	40241	45073	41442	57574	39959	46219	48174	48560	56659	46992	61128	60266	60988	65780	58273	60474	56050	67055	62871	62698	63285	63751	48174	48704
1-methylhistamine	365854	422134	744837	680091	1027787	774811	730975	393433	508938	513535	448074	420307	748213	724337	516298	442900	168748	247997	249373	264307	339717	122215	273938	280265	330899	228789	365854	334049	344105	468522	397167	378884	496488	171719	349451	311616	198903	248502	503739	591407	460230	548743	413504	694607	627186	594613	454314	449809	365854	400264	269185	388087	379066	346397	326265	343159	260982	284067	265309	370407	570657	654403	885229	778705	365854	353169
1-methylhistidine	435832	421779	630102	621607	655341	657592	478253	421011	360148	396201	458149	375594	499365	528365	483642	447019	315490	347679	351064	411830	472571	287624	420343	438475	441230	418987	435832	410537	400426	483450	393829	382097	423796	327984	505674	446794	348918	397334	474263	502088	442864	484801	469288	479440	503197	518127	483016	508024	435832	425606	372310	382888	433899	406132	443506	465145	440879	381902	376498	468449	653185	686387	585546	610654	435832	424565
1-methylnicotinamide	699945	690985	604132	586753	563455	568404	450556	631134	1024714	683324	932097	813698	577207	585090	597392	556128	359580	435088	830228	702434	1339299	661412	1141251	560399	713162	1192700	699945	692410	473805	760881	398277	520011	521575	550112	1021797	1018292	627278	782609	546869	445351	504985	636578	517152	652394	542417	662370	513445	626506	699945	702240	764105	561403	651082	677285	822240	1085898	851483	690381	792167	922491	687156	707347	543174	553617	699945	713005
21-deoxycortisol	7029	7688	37661	48657	154021	170127	1874	12815	6410	5049	14449	4985	9872	17508	3573	16431	8204	8241	4868	10359	7210	902	5596	7228	10527	22004	7029	5559	9998	12645	834	6862	20520	19784	10883	24729	6562	15427	21307	13177	12520	3085	7096	1996	2356	1616	9016	13502	7029	4715	nan	187	3350	10365	nan	1206	3634	234	12034	1227	32395	36388	105849	102945	7029	6174
2'-deoxycytidine	506330	504968	676011	680493	666173	671179	561322	408277	471310	426023	531173	395725	544269	611958	580288	545765	346053	381089	408137	556299	650005	302363	537228	435766	558729	489398	506330	513563	399911	554411	385501	470252	521945	417336	618091	501479	332531	467830	567103	546668	548129	570776	558565	590979	558292	682146	578717	567341	506330	504847	450280	500630	510523	518575	557126	597611	552195	490520	518122	607578	795273	786524	702880	716822	506330	529503
3-methylhistamine	26252	25472	35350	37639	38604	40146	29589	24636	21111	23813	26435	20382	29881	31379	34601	28298	15083	22653	20013	23617	27479	14150	27597	28983	26578	27086	26252	26093	20378	32057	22221	22867	27032	19492	30322	27327	19411	25151	28033	23901	29913	25449	27463	29266	29609	32799	31138	33727	26252	26352	17186	22423	24261	22505	23823	26850	25165	25697	22506	32667	44994	46203	41230	40185	26252	26537
3-methylhistidine	792495	818585	1340602	1351112	1640477	1645281	1211100	833975	723910	859663	912833	698384	1249960	1148173	1071931	931200	492625	538323	524958	653710	865215	356938	652172	664522	768573	582027	792495	794341	739455	875525	777871	768236	923454	449883	824356	724735	436786	544429	1014574	1117395	842478	1103918	858003	1145396	1091990	1172500	934373	1010694	792495	809347	597664	694561	745196	718945	712091	730446	709080	643796	609686	848176	1418732	1453122	1614958	1615388	792495	787455
4-guanidinobutanoate	70201	71610	212847	217186	117361	120682	93802	51312	61165	83668	78764	84206	80147	41991	76882	52804	50376	70833	88578	101460	108456	52307	123467	86288	112050	126967	70201	72089	27787	56210	30806	34998	63483	51916	79012	84539	39121	47190	66146	57090	51322	60672	50097	62445	53645	76569	48698	63035	70201	71344	66592	78049	89419	105361	102204	90383	89315	65431	84673	78160	126651	126044	120488	121531	70201	71031
5-methylcytidine	123214	122425	175962	172220	187213	191427	131885	96529	102239	107073	143923	98707	133828	144909	148253	132004	78785	100416	102287	151604	171489	71406	142385	128544	141103	135420	123214	123645	97760	127616	84758	103289	120434	99333	180821	151468	92432	130872	128488	124317	119681	127314	129593	143474	129294	168381	133778	134349	123214	127218	112156	122341	128534	135256	127312	156695	137255	122925	118755	153343	212345	200644	189651	194765	123214	130539
5-methylcytosine	138943	138359	102453	101697	111328	111225	92878	85142	108094	103810	103693	103173	90759	99930	96165	85514	156216	144571	162376	183789	258245	149365	211209	199547	219106	214866	138943	137233	108323	102611	73459	99387	98749	139472	219921	188272	160807	208051	94551	78594	83716	95941	86612	88622	101259	100712	102623	78687	138943	137871	160029	175810	164743	197324	181517	195626	186983	175141	179710	192364	121176	114526	112648	113665	138943	145855
7-methylguanine	17219	17587	28238	27340	29292	28645	13671	10078	12612	10862	16912	11361	19621	19035	19520	15552	14157	14702	17554	27891	32639	14675	23401	19425	28172	21670	17219	18272	11602	18338	10296	12122	14946	15450	31454	21946	13072	17736	15269	12691	15788	15010	11240	15388	13488	17412	15599	14982	17219	16985	17609	20796	22966	24341	23029	23662	21614	21503	20261	28265	27974	26908	31965	34768	17219	18197
acetylcholine	53715	55795	33423	34189	85591	83862	18903	46267	5061	27306	27975	9819	28364	53804	86327	78838	17741	69746	56292	66646	177648	73352	191811	39849	33201	36675	53715	51210	103475	52496	17452	12477	66920	35090	129849	103661	74859	54712	33300	20431	38893	12237	15528	11971	43871	36629	47198	25317	53715	53459	93442	25316	32691	29800	30085	50678	54362	29531	128865	117704	38160	38871	107184	108176	53715	57450
acisoga	3851	4181	10052	9627	13305	13724	3545	1890	2151	1713	2195	1614	3266	3498	3469	2341	2803	2541	3086	5475	8049	1513	3212	3435	5056	3650	3851	3270	2434	2253	2026	2148	2371	2955	5714	4240	2494	2991	3338	3533	3196	3121	2606	3160	3316	4987	3308	3195	3851	3605	5145	4567	4512	5461	6361	5205	4644	4581	4295	4733	12606	10970	11929	11607	3851	3608
adenosine	6182013	6043666	16581132	16146247	14536574	13986633	3158975	4825753	6905070	8938659	9276657	6718158	9295120	14540806	11900867	9208610	4550030	5506815	6145206	7150677	9088007	4301041	7566134	6882187	10609536	7470004	6182013	6209615	5057368	6553315	7164647	4204497	8731171	5264244	7614563	5937972	3886176	7023638	5138733	3737490	4565019	2808294	4047984	5470700	3444042	6676715	3422069	3444012	6182013	6313108	4723192	470580	4154698	8442992	5547964	6427949	5123299	4284144	3666071	6492118	21395907	20781548	15388181	15050080	6182013	6360499
ADMA	17989529	18072579	21418685	22544964	29577002	29531233	18739766	10729227	11016335	13003330	15962832	12243262	14859680	15237930	15004002	14682604	16052128	15999146	18478392	19478774	27889344	13856024	23314659	17551634	20676133	20241678	17989529	18073344	12928235	15890571	10406833	12018947	13619815	15550966	24108673	25395300	14876402	18132486	14119663	13041550	15700862	12480881	13463832	17448371	14311457	20022751	16495719	15281063	17989529	16897158	21375612	21383843	19904635	24295826	22964976	28269305	22274149	20682954	23909040	24285503	22922826	22675070	30462835	30003184	17989529	17958581
alanine	1156948	1172090	1785303	1735038	1251743	1260234	1394313	970801	1024256	1173785	1231454	1049669	1390416	1271350	1472390	1240609	820474	915318	1041298	1285402	1652892	843212	1480223	1430598	1278351	1259188	1156948	1170021	965677	1107953	766665	977438	1111941	916111	1413363	1546965	944134	1172388	1143037	1052549	1068968	1178818	1070974	1356873	1281449	1403892	1040122	1117416	1156948	1181380	1122662	1095292	1137265	1153364	1113958	1436895	1095643	966093	992231	1226199	1862267	1871112	1171048	1224530	1156948	1151593
allantoin	56635	56997	81853	83396	108291	110937	53360	42078	45479	41949	57852	48542	48787	61227	63925	56094	44902	51045	53026	64139	86231	47159	70034	44475	68143	68290	56635	57771	43773	67268	33886	47705	52847	45842	79228	64455	41981	57176	50752	43138	50699	49221	44560	53260	46059	63030	53214	53284	56635	54231	48508	51980	63780	63037	58336	71277	58344	54382	54740	73780	88665	90149	109600	109350	56635	57443
alpha-glycerophosphocholine	5938025	5832896	6568100	6608564	28029136	28334556	3060692	7037107	5542882	6109239	12340657	6996174	3204813	3571367	4630841	6474870	2371182	3675759	4279741	4044427	7373138	5120436	9154916	4040444	5010667	8929861	5938025	5861422	8244543	7558857	3523174	4907955	6021199	7229295	10173023	8593495	4661754	5826099	6054307	5155532	7015367	4573196	6812019	4249010	4183830	4852007	6368089	7246692	5938025	5920589	5496784	4073622	6417538	5188969	4700353	9083096	5876261	5900329	7460158	7130487	6967953	7047298	28840503	29211644	5938025	5972437
anserine	196149196	194791964	285507040	287144524	279417323	280071081	199493117	186978579	161087277	172951051	210244594	171470723	223877570	233654122	229554795	214376372	149041398	162236131	168554745	198386426	217775993	135437661	205293014	218674313	205374924	203644451	196149196	195302073	181581080	219684507	176667624	177855867	202672915	158179824	229087363	214791387	163148755	191637852	209900359	207643774	200077614	207346267	205979832	204260715	211860408	223508972	221898773	224308129	196149196	194903911	157544213	167772382	183769563	176670575	184737959	201179114	189920742	176837322	169799775	205117949	295804821	299103438	261683356	267610849	196149196	194617753
arachidoyl ethanolamide	46075	40747	9245	5074	10828	7806	15945	10858	11558	13241	104745	48513	111036	13727	160793	19646	110549	89696	54565	18878	19791	68412	144266	80356	72971	59054	46075	49371	46007	13031	144126	8078	12793	23048	131220	87248	97178	14964	5457	15659	2905	24257	9605	130022	80871	90540	7922	100144	46075	42262	707	64421	6130	12462	931	46686	8095	114952	16640	72750	13847	12110	26503	25065	46075	47276
arginine	2515872	2535504	4217612	4342992	5822871	5780306	2807046	1717780	2869334	2668060	3171061	2044757	2313681	2088636	2351143	2095636	2112754	1683261	2291242	2547520	4107485	2054762	3359657	2510134	2785637	3211810	2515872	2468546	1811851	2657206	1221264	1590504	1880027	1846975	3548041	3874931	2023856	2487869	1851812	1988648	1517067	2459718	1694531	2395898	2244698	2623333	1814042	1861892	2515872	2563328	3083393	1755753	2548388	3445264	4547234	3441897	2765799	2631205	3577397	3602893	4069653	4176745	5443644	5501163	2515872	2461976
asparagine	197526	200181	234363	239216	322867	323825	237404	158106	177112	178826	231192	168326	203940	203250	221104	197890	133274	161952	176336	214001	268175	141794	253169	224569	261772	240586	197526	200830	140576	183748	119318	153033	171272	158624	284271	254339	165034	210533	174559	171248	148679	207923	156869	242502	215329	231127	164882	187571	197526	197357	180087	202194	212138	240290	199508	261489	229671	200677	228815	257567	271615	269195	342317	345521	197526	199661
aspartate	28886	28326	15150	14881	44290	45735	15094	23725	18549	18570	31576	18198	17751	23388	32946	25819	24581	29711	31617	33305	46063	28049	36049	20264	29940	45097	28886	30216	27990	31123	18188	22668	30726	43813	43514	47169	31770	29358	28851	25437	23298	34621	25572	26819	21612	29686	43235	33117	28886	28464	25668	20694	37375	33261	27192	29058	28972	32959	36884	38237	17248	18751	60297	63374	28886	28480
beta-alanine	65793379	64916621	92830779	98258848	87286047	90548165	68380810	43081814	51978507	47709671	46750190	44215763	76604441	69263206	79148420	59944644	56865847	56133127	45647644	75717652	85461806	37636277	70343181	74956478	79813898	62125228	65793379	67291672	43673306	50936670	42732145	48525667	60108668	55730573	95014944	78944729	57748663	66604763	68188614	59439433	63429347	77459299	58745484	76512792	70298230	73526488	60208569	68183202	65793379	66708040	60818986	62685723	75737533	78842186	74990458	103681838	85714377	70465787	75463757	97756809	112548378	110807494	86828187	85087056	65793379	66710141
beta-guanidinopropionate	741417	746096	281190	287773	299106	302210	877492	433232	564344	567716	552418	436044	780431	681515	635591	661455	554512	806730	737832	936537	551294	532971	661644	855199	1027711	617304	741417	750241	468753	531999	507853	483542	627934	722322	688156	534874	643341	668577	868028	653001	682964	881615	723242	610966	735286	821106	481098	459304	741417	775994	1040593	927026	1225166	1021745	1357510	738080	900971	845128	941111	1044218	209509	203890	399999	412303	741417	753494
betaine	14829982	14812021	18778474	18769066	19037016	19303612	14906838	11119145	12617771	11258963	14174339	11359032	13124994	12205308	14150080	12381770	10655038	12370391	13846202	15410482	23102617	13624193	24090328	15422578	16447026	21344190	14829982	14864363	9344313	12347883	8503016	9949546	12579461	14188609	19921054	20173877	12536838	16523663	13541697	12716461	14086539	13003672	11591948	15075607	14726154	17974140	14459466	15163233	14829982	14977379	13857803	17359333	15450159	17246645	18915077	17391421	18279971	16526014	17532818	16426785	20570799	20444132	19278287	18916988	14829982	14836787
biliverdin	932419	948270	2487217	2225764	2886685	2677246	277634	1382155	849797	907030	3379732	1208508	915367	695150	1651159	1737320	580767	918042	891984	1359591	2505479	481573	1822496	985443	799140	2357286	932419	973756	1404557	1460903	488395	289272	1068709	829965	1709768	2573977	1059346	1128382	410004	534114	592617	167660	691582	547723	458936	390407	1394336	1202950	932419	841194	515487	880126	489603	823413	215518	775311	811533	600662	919346	893198	2120767	2115493	2483852	2429623	932419	1003914
butyrobetaine	2956304	2991543	4322059	4297850	4539279	4649715	2269039	2462259	2261544	2425732	3280618	2502758	2429325	2407988	3018745	2752409	1989792	2661638	3079751	3926580	4226569	2525168	4221114	3571887	3850130	4358017	2956304	3042899	2559905	3171977	1821443	1953226	2373415	3209750	4261359	4155362	2626766	3347288	2479699	2176452	2331632	2299984	2112745	2314302	2331917	2468839	2618991	2483073	2956304	2945432	3191060	2600773	3095480	2914652	3524953	4392533	3615579	3062657	3658414	3836080	4712083	4718769	4355795	4447126	2956304	3001454
carnitine	153171706	154783320	179715186	177307610	179157080	178403821	141373723	144663317	131022421	141759481	161758963	130718445	154714584	148974556	157473847	149587415	122068237	139562556	149652717	145147950	175864381	130784418	170703424	155720640	154482324	164653674	153171706	153673504	154462780	163832128	135299401	137505622	155854389	143402223	169929510	171946357	140941551	148752797	158791071	160188485	159652026	155946239	161636180	158022337	158414650	169925606	167860424	168449116	153171706	151950670	138328425	142280580	150408984	150728672	154085427	160821943	157161268	155359924	150333777	163375974	187071086	187018348	176550642	176405451	153171706	155339411
C2 carnitine	87391171	88380648	153331298	153272576	166843487	168587664	109103917	83600613	72279034	92449656	118948554	85948601	88848950	82036427	110669106	100983768	51541577	64156208	89903590	109867681	121696026	64656316	120022067	110777560	94046796	99387342	87391171	89096383	86651881	87988964	65333684	61270402	72134186	65502400	107305233	98223630	66002315	92229988	88644507	74012937	87540879	55902790	89276383	74790713	86910503	82013911	70856043	86196919	87391171	88305523	81854784	90821066	86994515	82622208	74046586	119862359	85595192	81152406	75273367	91677509	158564439	158512825	167936413	168862842	87391171	87957424
C3 carnitine	556804	558355	2490679	2476509	1689452	1697401	720901	715095	598682	719170	744638	593521	851335	502821	705500	543185	507129	401393	685893	696155	703798	417524	638302	872417	732196	522740	556804	537862	638002	450730	438194	452044	393144	399624	602549	486035	304812	462279	588656	422451	570967	288272	521836	428200	405955	486876	465514	438728	556804	554572	489048	488837	509684	531829	429247	765201	446607	523366	487985	691721	2154047	2189420	1857223	1874696	556804	559846
C3-DC carnitine	124069	125588	198123	198375	257788	264616	85560	102435	54940	100083	167273	73220	126002	104303	177482	148910	61719	98166	118275	157040	202626	79142	157942	146004	127441	143004	124069	123824	159592	177410	93628	83622	131000	122303	166718	172647	95530	121671	151484	137683	144478	88393	170506	99055	121783	149579	167256	186061	124069	125722	106445	99084	131397	117538	103935	146602	107281	116127	104958	123486	197016	206344	245474	249726	124069	126209
C3-DC-CH3 carnitine	376476	366030	1029902	1057939	1317439	1311943	202888	294228	152839	290376	587890	194651	311488	191003	445660	405527	145960	252682	317075	429640	572098	198076	512460	361214	428428	482732	376476	376235	452529	416917	191725	185369	316093	319052	613845	595348	247019	314744	386536	390318	433764	179631	470913	288697	257610	440676	410135	624702	376476	370808	293385	672271	503638	400056	341839	485122	461256	549440	313929	442276	1114773	1114362	1444031	1436859	376476	394331
C4 carnitine	1349779	1311265	1708365	1729981	5477964	5544697	4635889	1268053	1174830	1501685	2162312	1659971	992017	880422	1454757	2356653	284532	581149	1779041	3591756	1594988	612895	2083148	1806435	829157	1164716	1349779	1378756	1199175	680715	767250	613987	559723	748063	1523662	972979	991388	1741773	1285440	641504	1388746	448084	1297483	1056953	1353409	1004369	695454	1248293	1349779	1324417	2181945	2109741	1584006	682302	853532	3684041	1068404	1007682	912232	921782	1581435	1583719	6157439	6176641	1349779	1339344
C4-OH carnitine	642062	657941	690136	733861	2460662	2461920	1830917	561751	426512	392623	504508	316686	713600	599099	605851	587037	521697	666141	844281	1539048	1044380	242331	356925	538357	982957	427071	642062	649843	397913	301314	574472	439110	404026	338440	805251	287885	358460	495523	827421	763721	469432	412639	522714	666633	469378	657055	509410	613309	642062	653596	766782	795414	1067692	1033101	653890	1016014	737144	1021221	804975	914031	635740	632591	3070821	3042503	642062	620359
C5 carnitine	227228	235095	589205	592208	1946594	1972297	287173	207456	324155	232726	278266	207780	220299	244890	222729	253402	179759	237411	183211	246495	275086	168131	267975	218270	364316	226418	227228	233859	183739	201243	140512	163944	187544	150539	291132	211924	189994	184993	209953	202547	230883	256150	199283	232634	226999	244550	182448	231982	227228	233859	225725	199398	272880	244761	202325	318094	224572	219554	264673	361672	607186	607169	1998541	2025377	227228	224554
C5:1 carnitine	19357	20488	77163	79091	321070	326576	15098	15144	17241	13351	22831	13095	12664	15305	16854	17594	15893	22971	25292	29006	27070	14730	28798	38166	44920	31863	19357	19167	13400	15506	8834	9195	12503	14062	48130	20576	14537	17339	14001	12478	12414	11803	12214	12484	10390	14090	12261	13020	19357	19235	15342	11329	23812	28102	15197	24418	24728	20333	26963	40805	88155	89386	351902	358673	19357	18698
C6 carnitine	125300	121907	50337	50713	396391	408754	287634	176834	179502	156777	185739	154911	89511	142821	98997	222855	13785	50273	138994	270574	120556	63255	144095	77246	38517	70567	125300	119736	126893	60364	94625	84848	75830	112161	84550	58889	142779	207988	239115	56959	303852	99103	289672	142514	236424	146376	77443	140437	125300	125694	341313	191587	186632	36620	119905	122563	77450	71668	64913	43622	35144	38447	434550	437571	125300	121411
C7 carnitine	14027	13285	13967	14134	59800	61177	26765	10480	13380	11250	15515	12985	10495	12556	12084	16482	7574	8573	9746	13129	19354	8705	19635	16218	12094	16212	14027	13585	10592	10870	6936	9663	9360	9639	16762	15158	12364	17349	15922	10576	16188	13644	16045	20262	23360	17418	9399	15518	14027	15168	16403	19638	11080	14149	14898	17990	16163	11867	14510	13742	12167	13517	62814	62571	14027	14993
C8 carnitine	205318	201509	96830	97551	827697	869273	571963	256300	232963	207254	319791	219908	132572	180273	191693	395504	11366	55354	164748	348107	289670	55710	294938	113687	51182	159111	205318	209186	169241	87706	102401	125601	92045	126365	171041	142951	213360	345176	229651	79969	291219	80571	315615	357162	531275	222379	146421	320648	205318	211994	382244	401084	188745	42322	105908	247027	131453	119992	97506	72214	85105	88698	852707	892686	205318	206115
C10 carnitine	162514	159509	86136	85949	800839	790622	426297	189439	156910	175501	291687	167297	100629	118672	169457	361091	10010	49749	145629	337610	214356	49997	249154	80053	39198	150899	162514	163794	145322	72062	66700	89655	65500	112720	149180	125658	165750	279543	184722	65919	220793	47149	256825	259119	391605	164989	119547	282803	162514	168113	313387	371317	151304	33616	82501	187622	102934	95876	65227	47438	67134	68779	812666	806960	162514	156558
C12 carnitine	308408	306451	127446	134531	1014926	1041288	571652	338005	237272	321502	582142	267902	211551	141264	364675	712312	19866	87735	275966	809869	333047	66751	544584	125376	63811	352082	308408	313200	300603	132183	106856	132704	108566	245259	334481	276171	298830	572712	333674	116115	464944	74590	555642	384648	676988	335092	259677	557595	308408	309182	743788	536806	309550	52614	190259	388374	154062	146671	112858	84842	95632	97036	1009577	1049990	308408	303975
C12:1 carnitine	108344	106657	62127	65252	663946	686112	251096	115514	96546	97849	196898	93991	67330	73543	117235	244720	4551	31888	85344	245144	143224	24445	179577	42974	24614	107843	108344	111498	98344	43600	37100	57515	37144	80660	108019	95075	115943	187271	113551	37555	150766	30693	185658	186975	276026	116540	74958	198078	108344	110717	202855	222155	97560	17947	56537	118914	62402	67118	44394	31204	52398	50640	672753	674497	108344	106919
C14 carnitine	971076	960978	364574	359209	2438822	2443134	1380550	1131047	677903	1050211	1969254	791325	679044	284975	1195316	1999015	55194	257582	963981	3890591	837949	184819	1767642	339855	205818	1210707	971076	998431	864914	372235	314881	348399	294316	818477	1041722	966467	929544	1895703	966137	377706	1548305	201873	1888154	876347	1668845	975868	832118	1548998	971076	978593	3090389	1620251	914371	148159	663803	1246684	399973	402454	329791	240787	255188	260256	2553057	2603633	971076	970137
C14:1 carnitine	506239	496041	237876	241923	1671309	1665392	788735	547386	384350	468960	844495	353641	345880	229993	577450	1010416	35789	167697	481655	1542319	590746	124542	891406	212293	122072	559102	506239	512856	484040	190494	174812	219939	158771	495906	586172	537902	609523	954186	521270	204121	731768	132251	868199	629266	1006617	528408	384759	867784	506239	506208	1292733	989268	595612	91722	355181	697833	285265	305529	205646	151209	179235	182851	1779071	1787408	506239	503465
C14:2 carnitine	204190	207990	168603	172644	1103298	1122256	322650	226051	155516	184821	383251	140585	142760	96888	266824	456447	13700	62922	141490	424774	252088	46345	405504	82134	50326	230276	204190	204985	215407	84630	67951	86298	66966	188031	230352	240638	233922	379062	223127	80128	284754	52299	369833	290229	480558	220534	150446	393506	204190	192086	415937	397419	196204	33865	118459	227074	116147	119621	86775	63939	110023	108894	1138396	1154779	204190	202507
C16 carnitine	4117849	4046809	1003444	990846	7625848	7594691	4810090	5697271	3072897	3955683	8426297	2908644	2578398	1002990	3483618	6862833	318562	1059268	4308107	26683060	3090662	570261	7930580	992789	1102949	5573033	4117849	4150996	2406643	1455460	1314698	1041307	1203571	2282237	3892564	4327894	2512248	7321625	2751818	1751329	5460665	732695	8040773	2088925	3376022	3784574	3362569	5612392	4117849	4108827	14923736	13500204	3123106	764383	3292512	4312113	1478908	1676698	1175548	1011288	789590	791796	7428079	7463003	4117849	4031154
C16-OH carnitine	82236	83179	76817	78426	429578	409465	201572	88685	53208	84457	155236	62702	52994	25882	103897	146137	5004	21525	88509	515347	99496	23634	135945	31683	22796	86087	82236	83247	54338	46863	26997	37240	32146	91228	92290	99682	81329	131562	77191	44108	94483	21027	131166	81764	96336	65062	55822	105524	82236	83107	197076	154574	82728	20237	48827	118804	39977	45020	26261	28613	49245	47928	441533	441033	82236	83597
C18 carnitine	705012	701687	217245	214431	1650504	1691511	1539715	1329606	829432	1025791	1443157	814935	439513	215165	725779	1337215	60105	152903	693281	3299783	450912	130083	1179882	194526	152075	790529	705012	732940	497124	244454	270168	293972	254776	485445	494185	553307	551560	1303700	564553	244233	924223	146447	1276444	532484	951765	491304	664732	965168	705012	719912	2270635	1231660	471396	102139	406491	602965	216660	250639	296900	160423	164447	161114	1771775	1776485	705012	717720
C18:1 carnitine	2620817	2656760	469586	480947	2937783	3021357	3173857	4300258	2528663	2841478	4400191	1946751	1758743	451862	1824196	3866019	170332	600114	2249882	16619498	1207248	294095	4069295	491617	542215	2669623	2620817	2627691	1304852	580130	835109	569406	492623	1515100	1861283	1936640	1688900	4080823	1506444	1026628	3322363	352545	4780578	1066658	1875861	1836491	1511303	3283053	2620817	2601022	10327143	14077693	1883078	363490	2005158	2529983	819264	1088073	695880	516742	299454	314319	3104916	3158624	2620817	2642220
C18:1-OH carnitine	97708	96897	98465	97951	453442	480040	227499	104531	63563	94656	166659	66173	67809	31751	108567	131888	7041	25256	101185	667951	110057	23532	155876	40640	34165	96518	97708	97231	48244	39469	25182	31842	29820	101783	111900	136508	94715	141814	76861	47473	92749	24169	130797	83514	86394	69274	47498	117154	97708	102313	240744	253445	126890	31321	64327	183606	50644	60185	36818	41033	64272	60252	461967	454587	97708	93192
C18:2 carnitine	2449519	2455638	795927	800399	5151444	5175453	2545421	3779385	2126422	2531947	4840905	1677169	1579747	324428	2125711	4196848	124067	528152	1888353	14226732	1287096	260132	4741527	467056	541623	2794024	2449519	2446335	1334563	668433	718814	466101	493310	1493322	1965834	2330456	1491529	4082208	1516419	901109	2955661	265636	4400956	939206	1678525	1702635	1468324	3465045	2449519	2419557	8266370	13720895	1557221	305126	1779104	2224900	771808	976643	592914	517849	533083	540915	5113714	5105748	2449519	2357508
C20 carnitine	4323	8686	896	1131	12594	12358	26070	13029	6914	9348	14408	11087	2292	714	2495	12215	nan	nan	3809	26609	2168	nan	9287	2970	778	3446	4323	3905	3785	1197	1553	nan	nan	1555	859	2621	1409	5623	1593	278	5250	nan	7360	nan	5064	1537	1431	5267	4323	2856	12058	6152	842	568	1927	4667	401	1213	2149	1533	612	nan	9816	14772	4323	5273
C20:4 carnitine	128576	128582	92464	87562	982207	994450	103209	392062	152595	178207	398956	83005	70473	28575	134069	237824	1038	19358	71880	403439	60410	11498	246121	8315	15175	151089	128576	112002	73163	15868	22422	33070	28813	99873	77967	142809	90885	132625	95567	39284	154898	17273	215833	45823	133700	54510	89923	233356	128576	130001	299939	869806	57832	6065	47970	58762	38461	76539	38907	23021	45393	38990	1069796	1086849	128576	140461
choline	3873971	3902579	4718954	4651611	9013444	9128419	5905992	3026031	4040191	3460135	4129270	3072002	3667522	4888404	3725832	3809361	2146125	2535287	3522839	2505806	4202207	2742680	3823249	2922593	4536344	4730727	3873971	3977713	2326337	3087125	2769269	3449402	4794999	3973076	6971783	3595860	3845713	4001381	3822176	3840804	3499716	5852601	2800692	4974493	3190882	5286141	3903713	3675861	3873971	3821927	3366636	2948691	3216630	4043927	4157597	5632767	4566059	3607871	5336650	4909662	4925715	4946155	9189306	9147345	3873971	3858083
citrulline	392368	388553	338639	352315	365714	363514	360188	257183	293024	245912	310822	295099	324101	293430	329378	324627	427979	371833	375670	402272	608145	332723	492658	480594	557651	502441	392368	403770	231960	333199	232079	292666	302854	361817	577698	546969	419845	427930	300496	332652	294304	404857	277071	380518	390025	379185	349845	328197	392368	393699	409298	438348	475254	579329	516317	445331	548768	479387	545911	572132	358440	357568	388705	372657	392368	393733
creatine	115436423	114939014	123205887	122960542	141871913	140739039	115673681	104722501	99906253	107989864	119381822	106084533	121568688	126775298	132737264	128757928	105246408	112827240	111804975	131856583	137529561	99455756	133305342	127550282	125958386	123609332	115436423	114767313	104441673	119067956	98957991	96499429	109294805	104775982	132351887	130403589	104245351	125588155	112768525	105016880	106185073	102065940	107381598	112536715	104615287	123659728	101977552	112501087	115436423	116560687	108188447	118386377	112443111	116359189	113909075	133081134	121612491	118991716	99872652	119175120	136006856	135984728	137878944	138378238	115436423	115377333
creatinine	5959631	6046643	4919463	5005480	5091375	5106889	6773718	5489296	6383861	5332899	4827280	5639538	5831988	6269770	5931819	5016036	6005835	5062269	5245231	4727113	5531026	5618158	5685576	6985252	6413234	5875524	5959631	6001402	5076081	5176960	5542653	6448318	5723033	6027967	7543086	7220972	6860224	6176504	5227278	5767273	4429679	7054479	4897126	7309743	6617927	6163105	6156471	5225239	5959631	5659864	5267422	4156893	5274301	5555309	5902733	6161119	7005021	6197713	5673226	6672640	4942057	5094260	5308604	5309612	5959631	6105082
cyclohexylamine	117411	115322	139726	140476	198854	195136	43792	70248	58580	69155	36924	55252	23894	53033	52809	69996	36078	35875	32354	33005	60965	22324	31253	20413	22056	26464	117411	114797	23501	57192	22087	59581	47914	54062	25753	24735	44182	52966	80293	88314	149468	119443	131944	60470	49341	80849	100433	70514	117411	116721	1258208	63758	98580	82927	996348	113932	115815	59303	76331	72548	129796	133560	134004	130288	117411	117098
cystine	413072	434176	531188	590123	773178	725424	356214	256160	567449	352678	418616	320900	549879	695278	459119	309462	395078	380936	541817	1012194	900446	294176	343218	302223	1121547	789108	413072	453973	346871	487276	375649	437465	413153	115328	861046	497287	493605	402308	82284	199749	205732	135301	172256	414275	74592	301618	321052	319465	413072	458458	405588	152925	753058	629638	583770	188683	108512	77503	831133	839385	596442	658828	785520	868459	413072	448443
cytidine	325595	335702	409391	382661	267484	266170	297567	217362	292381	264443	333752	203032	337317	432064	399756	385198	223796	218261	368816	543159	517905	140041	326492	206230	460621	343798	325595	342866	191012	321021	206108	222442	356028	286308	566167	305999	263237	330382	331485	273084	301295	304054	258793	365084	185446	394230	307505	345389	325595	322548	336783	205703	381245	377481	381130	542137	365848	323995	374186	469098	471009	439326	343598	347361	325595	355642
dimethylglycine	56411	56142	70025	71353	85712	84839	62609	41502	49363	43506	52077	44186	57733	60628	56834	56969	44017	48774	52694	63619	90243	36496	60171	59956	72604	62191	56411	59088	41434	56382	41771	45327	52087	44675	75538	54448	39371	50094	56086	55537	51218	54223	49699	65934	60090	69436	59976	63239	56411	56535	52678	48421	62461	67498	65474	77869	65512	65850	67341	70458	78155	78100	78903	78706	56411	57427
ectoine	23982	25422	48748	49423	47919	53430	24276	12522	14630	22365	18571	17409	20035	12221	18017	14605	13985	16368	19850	13901	18545	12782	23659	17603	19136	23179	23982	23817	5386	9694	11187	14334	21223	9916	14261	16973	9590	9601	18192	21948	16393	21737	17196	22610	17999	20587	17643	18265	23982	23181	52700	59483	52890	66923	61500	57030	55243	43165	44503	53127	54780	54327	56303	54288	23982	23755
GABA	4890718	5185012	3237932	3351074	3364223	3286626	3502070	2943445	2552380	2646592	2516139	2221984	3898111	3437940	3002054	2767863	6993471	5624584	6443956	9683295	9026197	2740081	3162587	2706520	8037949	3665580	4890718	4756932	2884544	2576158	3014065	3049084	2666675	3602168	6665594	3566824	3456467	3746594	3054173	3182116	2905199	3435084	3218653	4694471	2722285	5472528	3135738	3355749	4890718	5217340	7565462	5901144	8921126	8803122	6791436	11837145	7133127	8650143	6613060	9261243	3495387	3452474	3171604	3346590	4890718	4686700
glutamate	749850	772427	824163	841885	1000441	1007940	579899	672952	535025	556988	1026886	543031	471118	572047	720511	576716	487675	665873	817800	906711	1198164	754325	1063242	698767	923217	995604	749850	736299	782978	718845	529094	531085	637048	887992	1127727	952510	674930	788631	651265	646983	561566	558817	598299	513857	573049	570765	686107	746864	749850	745111	657109	682213	966975	926129	651527	1051901	921083	960764	1010835	952855	951211	971595	1149534	1153470	749850	741867
glutamine	8680260	8625752	9239473	9439844	9736001	9962186	10139200	6487023	7030334	7413659	8942742	6855452	9062940	8843167	9378445	10127929	7098397	7754606	7308014	9527192	12263307	5341658	10212438	8449657	11063373	9692421	8680260	8615977	6426283	7315095	5492393	6803252	7404006	7024732	11430671	10340680	6334931	8376398	8521318	8444695	6853779	9306633	7305737	11533009	8916298	10050174	7547058	9079517	8680260	8536648	7992490	9733762	8697267	10458031	9097847	9992897	9662353	9069789	8654897	9762168	10368906	10311962	10156859	10271449	8680260	8596044
glutathione reduced	17123	15193	1132	820	880	728	143001	1738	651	1457	420	29208	19427	19676	90110	7647	411365	176994	4154	22823	7162	161322	68191	430345	165674	2315	17123	11777	1786	2699	20909	177630	5830	26692	15595	8639	8687	2951	81486	398715	12696	4159174	26420	2044389	2008221	342419	29926	24042	17123	17920	11108	1207928	13035	97802	52080	14824	595122	763723	46329	17094	39653	31582	42160	26417	17123	16111
glycine	273636	274731	388182	386151	437090	436115	415604	172256	203112	199119	147931	176594	328405	305941	314794	243378	226167	247961	190202	280429	346413	172917	268185	323266	409004	235685	273636	280796	132690	184865	189179	258540	252735	161123	335460	312162	227569	299835	250991	268286	217721	340741	189077	409573	384377	373125	197590	252233	273636	269411	265003	359918	299733	308558	335034	312054	371985	285973	259545	388027	463565	474150	406548	407398	273636	268185
guanidinoacetate	3843	4247	4968	5220	7855	7477	4325	4210	3269	5464	5474	4451	5047	3790	4791	3684	2618	2902	2938	3150	4716	2159	5677	3409	4360	4238	3843	4078	3048	4161	2724	2518	4002	2940	3706	4976	2552	2582	3918	4192	3597	3284	3610	4168	3286	3756	4250	5092	3843	3851	3803	4365	3649	4308	4239	3939	3411	3436	3411	3300	4923	5002	7305	7252	3843	3768
guanosine	53222	53383	121287	111855	114193	111659	28114	44955	48411	58627	87297	43171	54408	95735	73067	58051	31517	34012	72139	64578	73984	41226	82501	45373	72697	68524	53222	52579	50965	64232	40295	43107	65165	51541	83258	59757	43934	57075	51848	30606	42703	41790	39973	50652	29877	51547	46874	48026	53222	52853	56346	14494	50821	60971	58089	73706	51181	55714	55014	62280	137246	133532	130244	137415	53222	57544
histamine	2568730	2580028	2673513	2654497	2475820	2490056	2208304	2722833	2064083	2113717	2515729	2211079	2475190	3861907	2809135	2880278	1672395	2157550	2757491	2914857	3937542	2008138	3181438	2646480	4137070	2418464	2568730	2561448	2341827	2511410	2040738	2373500	2754776	2221566	3727100	3229564	2463510	2995643	2424484	2122633	2565911	2218811	2017331	3055805	2313410	2408090	2798305	2345453	2568730	2619473	1698203	2906441	2986244	2925881	36230	3261733	2809022	2745739	2402078	2903145	2788599	2797408	3178310	3171462	2568730	2511993
histidine	1897356	1907731	2588299	2624532	3344451	3449260	2292926	1387425	1735222	1813757	2087767	1471053	1860097	2223767	2119539	2081159	1669464	1470402	1588347	2332239	2714341	1446271	2272323	2186655	2627965	2306117	1897356	1928557	1300169	1832886	1038964	1349061	1610898	1405236	2794701	2542477	1639139	2143418	1686780	1672045	1451427	2100875	1472819	2254974	2052002	2199529	1513477	1632078	1897356	1956163	1824288	1975398	2240215	2509279	2512610	2108594	2119469	1794416	1863820	2332185	2508822	2574331	2945902	3043461	1897356	1872993
homoarginine	21381	22159	26303	26291	47368	47337	18925	10510	15184	18011	21634	13747	13846	9909	15063	11309	30980	17400	14830	15424	48115	12721	26825	24205	28550	30665	21381	21376	10359	18607	7343	9397	12991	14806	35371	27584	12972	14927	13170	15987	15119	17205	13009	18573	18298	20075	12385	12072	21381	22819	32269	10601	28302	65016	89658	46717	31572	35049	52541	43611	30123	32378	43936	43394	21381	21510
hydroxyproline	281191	294379	453491	461313	528223	523122	480888	205447	282515	250577	237205	283489	452779	390169	412431	315312	243535	209931	163474	238875	303590	142647	271790	298172	336028	215881	281191	284882	243422	364384	216102	276135	306496	151528	298857	251741	157452	203370	334508	349553	298192	406572	235841	425634	386680	386128	245528	307907	281191	282938	210727	270933	266394	305873	283744	278923	304660	218881	250830	311271	532451	535983	477123	487704	281191	285953
hypotaurine	66171	64540	104691	105430	130350	129377	85006	37398	33186	55918	73203	39777	69360	66144	94444	85713	44075	76235	65565	89659	82994	50928	87786	87379	93166	78631	66171	68428	48436	46057	36150	56531	50140	50257	103634	100827	54628	63709	55783	54225	43220	66959	58004	77667	54182	72037	40386	58521	66171	62915	69939	69892	69039	71818	61001	80310	85952	64965	74376	83930	129150	132345	134530	136406	66171	64647
imidazole propionate	92892	90682	179095	185919	137742	136307	271590	57869	69888	90969	61790	88146	127941	146965	110573	103090	47715	46771	62578	117132	56153	41634	68146	104962	88152	58083	92892	92766	85609	176079	67079	92507	129044	79112	50840	84325	26707	36493	118486	158389	70243	113519	95333	162642	165568	204407	70842	120303	92892	95289	43536	65081	88255	77619	97143	53957	79897	48030	79163	41943	185581	185751	126758	133324	92892	90286
imidazoleacetate	9440	9710	19122	19237	11038	11766	18745	8180	11280	10656	9585	13681	14698	17115	10244	9386	7720	6288	9900	10038	7982	7662	7355	8588	12974	7286	9440	9882	6418	9012	9836	9225	10709	8117	8417	7476	9365	7824	8987	9068	8949	10082	8724	11867	8514	9929	12530	8839	9440	8932	7751	15805	8319	10033	7441	8016	9404	6808	7317	8038	15379	14857	11224	10299	9440	9503
inosine	817086	853300	3690980	3522411	2926956	2975007	744724	619880	1086842	1076127	938606	816646	1242050	1507507	1474299	1068011	445100	500569	679555	734319	868490	534845	684495	697679	967809	458286	817086	843709	514119	710581	632193	546026	896681	898175	1010502	1104010	566047	831729	679125	732236	655757	489369	607150	554280	437203	578238	504308	744520	817086	801332	513492	1408870	634358	766117	950539	964214	722303	705553	366564	540157	3300566	3115898	3450033	3306169	817086	773027
isoleucine	138108337	135729600	196365852	194386350	197185991	197285458	153314716	102028149	119230110	105648714	164565981	109416090	131160050	158683449	155289636	127505155	84835416	96630116	153211574	207337230	189544427	97177229	181994538	156501508	208901453	169618349	138108337	141703323	104908929	129273641	77815064	110615727	114026615	116893170	196610313	159878408	118998867	143561915	122354423	102063911	92001141	145550737	101862389	145330025	120421547	158221409	109469646	108847579	138108337	140102705	127786722	116514190	183694004	160463009	138414517	189794341	166475109	134167254	143652679	207639065	221116074	218176571	206195460	200401642	138108337	135092723
kynurenate	41069	40640	146497	138924	54272	51398	2928	4008	36286	3509	44110	12530	80692	46507	42397	6426	35019	3630	28537	187913	58160	142960	75665	11923	226622	2728	41069	45027	46878	71304	6755	6245	34239	7480	101049	49009	9571	36532	9449	1308	20476	30100	10305	31866	30986	2715	72456	12970	41069	40847	81655	22007	86365	20116	53453	85266	42477	17252	28169	89653	39976	40465	132000	141301	41069	45240
L-alpha-glutamyl-L-Lysine	291889	475921	757060	671798	502776	445905	594258	355312	415263	485069	721179	296697	421680	426342	208102	307209	142179	140856	233752	312959	298187	275931	338642	168362	263606	256275	291889	271720	275731	250127	123000	168843	210862	199992	268467	245725	141164	307308	251268	349465	259824	260852	284789	346149	328622	346435	223822	296767	291889	329084	256338	246545	243035	272475	177388	297179	239338	321386	351034	201920	381471	457900	531009	469267	291889	275467
leucine	164528252	163173219	248384390	251165913	240204190	245100246	181614985	124634629	140017496	132889039	201279058	140622650	156696308	194959055	184357799	154501688	113376365	116559354	177062521	230394267	230909594	122004193	217407932	174238837	243531277	192194451	164528252	160262507	125002743	149193967	90550182	132321295	143696277	131059534	224880312	200755385	142427722	165311689	140243241	122782425	115001513	180342490	118883451	172397154	140248170	172718345	134921578	131491205	164528252	167270637	162155279	150224427	196077034	187632948	156985849	225305239	184303111	155853182	168653796	241151275	273848625	278176190	239828899	242030038	164528252	159293446
linoleoyl ethanolamide	157405	164243	110144	93149	117892	101393	124693	103145	90161	104686	174489	182583	202952	109925	246755	139900	175321	231798	237088	150772	163907	202404	309716	266902	296958	258184	157405	183406	252703	115975	282501	95577	121862	176656	230543	243372	249345	120061	84293	123474	74293	171548	89762	227619	196711	195401	83124	204518	157405	151137	51855	230025	84887	105053	35581	211167	87623	287292	133461	218873	142383	144225	211364	206298	157405	164370
lysine	2319789	2285094	2841785	2873844	4596484	4572088	2329482	1407893	2186361	2201904	2376734	1614213	1976599	1828943	1850221	1841824	2026369	1688598	2131501	2875300	4329342	1512461	2745589	2261962	3467661	2648056	2319789	2341295	1526594	2292607	1134470	1305382	1651458	1761151	3606275	3222388	1715642	2174455	1513981	1675415	1241572	2057304	1202814	2543810	1849849	2119730	1487750	1539050	2319789	2328705	2805476	2416599	2699386	3626811	3316301	4183014	2955426	3043210	3494981	3986332	3202277	3236492	4771736	4943738	2319789	2315494
methionine	289889	290880	520483	533353	669133	665330	337875	242105	286850	264464	393330	253711	314898	343818	340024	292371	156552	194726	258552	349835	390497	193136	385756	353192	362731	335959	289889	291043	228510	336558	166713	217084	260593	235164	417159	331673	239105	290722	267157	265169	222839	320242	224260	340764	298964	349640	270471	277855	289889	298590	237508	249481	317481	332153	291180	389137	353508	284524	319452	412929	560606	568194	661829	653431	289889	276307
methionine sulfoxide	421003	454668	1345438	1284667	1370574	1318423	421252	241758	315892	281117	629989	514921	441450	369261	507740	329437	523029	370997	258333	378516	461432	313176	694733	755710	552834	444576	421003	371589	383743	578222	186287	302980	392788	359375	539757	639207	293608	426649	529143	390906	431282	542355	412699	365553	565970	581485	483255	339132	421003	475843	268528	330114	632371	334330	720321	447028	605503	402925	395544	570642	1225902	1273035	1217115	1213843	421003	411510
methyl N-methylanthranilate	1074787	871357	1633855	1347386	1846134	1251305	652429	1205414	1241245	1007172	1595781	1006450	1436559	1032728	1488640	1763298	1053861	1180591	1012923	1442561	1704463	967131	1700955	1467376	1558484	1505873	1074787	1861558	1742961	1676562	1043865	959780	1419021	1552424	1729737	1996974	1249306	1209915	505790	1203340	516933	622366	603674	762299	436413	230160	1098485	1041550	1074787	997827	413241	823368	335282	1225986	103361	261845	831918	601305	1655624	697713	2007536	1480493	1944662	2073825	1074787	980987
methylguanidine	6082	6422	7287	7235	7741	8141	4499	4584	4060	4211	6404	4717	4536	5144	6402	5556	3171	4217	4035	5355	7333	4565	9629	7710	6394	7266	6082	5954	8544	10230	2959	3875	4829	5319	8457	8122	4189	5713	4784	4409	4353	6315	4095	4004	5153	5010	4676	4503	6082	6297	6846	7612	6076	6916	7615	8604	9848	7194	7103	9695	8804	8376	7557	7524	6082	6326
methylthioadenosine	1245404	1276279	1785572	1871533	1608609	1665946	1049674	973146	873261	948908	1080449	715613	997429	1010753	1341048	1107285	619952	841463	849843	948546	1125142	677545	1146063	1463668	1357170	1352369	1245404	1221506	1056489	1134535	799768	951282	1054316	1054562	2111411	1637305	1117521	1347919	1028139	936141	848149	862348	925088	1385360	1164657	1286648	1093659	1130789	1245404	1328181	928221	1043012	1208973	1283946	1148486	1589954	1363079	1038229	1206680	1399914	1560932	1610564	1935701	1926822	1245404	1284808
N1-acetylspermidine	2625999	2682755	2772845	2806909	3306168	3331956	1750747	1861919	1222101	1271096	2058341	1369944	1740428	2889087	3118264	3391436	1982377	2542587	2258412	3246638	4028113	2302057	5830424	2985686	3043787	2598490	2625999	2962342	3841439	2422209	2075061	1411285	1937534	2668714	3507815	3065269	1971984	2427516	2754635	1727082	2308394	2151925	1533985	2250107	2133173	2095858	3007355	2428261	2625999	2503189	3744448	3421830	2812229	2550482	3587451	3979137	3020572	3595003	4281482	3645303	2955438	3070803	4447046	4307722	2625999	2379729
N1-methyl-2-pyridone-5-carboxamide	45014	44477	59868	57750	69520	68900	32791	28321	30618	30647	37091	26089	43362	51610	43684	36638	36386	31377	52391	72584	81235	39616	57151	50790	85146	62516	45014	42461	26574	37462	26582	29119	33899	36934	73164	50358	36315	50240	34967	34312	27556	38769	27519	35418	33521	52120	34298	41261	45014	46546	40197	32463	51087	63722	48737	79484	60164	53352	59794	63714	62890	62418	70086	69532	45014	44994
N4-acetylcytidine	68434	67740	42596	41036	56860	57435	36300	36828	33595	45895	45629	28008	40199	35242	34969	29832	57101	80502	95040	105190	174787	48065	96223	90486	101847	106687	68434	65090	49741	38259	29622	33123	38745	51831	140355	113436	73491	93971	44153	33451	27973	28779	33310	31444	35044	43389	38733	33428	68434	69500	90870	102508	111306	122195	88091	118006	101430	104770	82092	124129	51356	50281	56891	56856	68434	71422
N6,N6,N6-trimethyllysine	1568318	1581489	2846931	2790408	3507079	3425138	1843033	959695	1501706	1209257	1510054	1074814	1711904	1789292	1741897	1488453	1185449	1281539	1200134	1748684	2706178	885143	1793746	1941661	2480463	1686039	1568318	1566926	944072	1315150	828204	1067495	1279517	977056	2660915	2135087	1227095	1607889	1200500	1256270	993803	1628099	1005907	1828862	1618378	1913686	1235795	1407185	1568318	1558705	1427572	1540963	1559711	1955466	1901515	2459172	1948430	1841042	1916173	2377199	3244890	3297063	3157877	3239133	1568318	1564060
N6-methyllysine	47138	46734	60942	58725	104652	105148	48475	24622	37120	29197	41684	29551	37888	35876	43433	37942	37789	32902	35837	49383	87673	34756	59864	57543	66069	58430	47138	50033	29785	43212	22503	33357	39675	34679	77694	73419	33922	46061	36660	40593	39135	54661	34630	48880	50241	58028	40413	39066	47138	45545	52508	43526	54468	64479	70123	69654	66847	54923	61416	78528	77552	77482	102865	100058	47138	46664
N-acetylaspartate	823216	824835	918616	880534	1153450	1061357	420176	1014019	234420	429469	573161	346224	451580	1109889	1077386	1402672	355235	841771	633847	1016229	2338065	910593	2410969	965059	808456	511457	823216	825163	1078215	798389	341765	278441	912921	555388	1948655	1117324	1102996	1084161	670314	646570	574151	287126	477330	484515	523380	668030	810599	723755	823216	848545	854680	1230090	830605	783200	593813	914754	1314475	964482	961778	1208756	1346011	1255581	2279802	2283987	823216	819142
N-acetylhistamine	3661	4536	4487	4391	6872	6716	3321	3283	4120	3317	5519	5776	3179	4157	3881	3667	2381	1749	3151	3693	5415	3597	4905	4684	4510	4249	3661	3523	3844	4457	2821	2806	3462	3060	4763	4093	2889	3127	3622	3058	2682	4886	3315	3568	2815	3708	2490	2780	3661	3693	2591	3300	3143	2682	2952	3293	3543	3305	3581	2856	5319	3901	5898	4760	3661	3358
N-acetylleucine	1535	1391	945	949	976	927	1537	1631	845	1796	926	1769	981	1713	1310	1551	1125	1214	1191	1245	922	1254	1736	1052	1484	1736	1535	1523	990	915	2251	831	1469	1613	1071	1056	2371	1079	841	1628	1073	2157	1118	1992	1043	1377	1179	1270	1535	1398	2280	1622	1349	1948	1426	1777	1814	1830	1833	1882	1915	2064	2388	2376	1535	1818
N-acetylornithine	123837	119057	175620	168869	179164	188122	145627	98718	126690	106370	120272	125485	134266	132606	145159	138837	73273	84784	118489	113113	156239	85400	138252	122019	129569	117458	123837	125696	87023	114327	81742	117347	128347	80833	164958	128440	99917	120589	136077	131573	119500	163585	124850	163202	141623	178391	128402	140887	123837	127122	104514	127634	128249	124063	122178	127280	148036	93980	98388	140119	198876	202332	189649	188009	123837	122751
N-acetylputrescine	230271	274867	317283	355069	371200	415585	282234	177831	178349	199649	189114	183896	241133	282194	214206	227519	207993	224377	207196	289369	262680	190394	261350	223909	242753	186705	230271	209266	212906	176122	181701	156240	200846	190797	266416	242318	200427	215975	266931	174216	258460	270954	187401	207538	197928	258732	236204	218722	230271	225065	196997	251323	236564	257770	206152	284728	233913	300921	265412	265801	290339	346517	382615	356854	230271	240839
N-alpha-acetylarginine	4095	4163	5343	5517	6991	7818	2385	3124	1581	3079	5577	2791	3214	3371	4631	4163	2355	3599	4743	5569	5238	2569	9716	5218	5932	5110	4095	4133	4824	4546	3243	2213	2936	3197	5588	6468	2813	3569	3150	2975	3285	4726	3376	3236	3402	4075	4192	4221	4095	4303	5302	4597	4928	4164	5026	5399	5093	5491	4807	5130	5620	5525	7386	7951	4095	4527
N-carbamoyl-beta-alanine	535	535	672	675	575	714	463	483	429	488	696	567	953	833	1010	726	444	463	468	853	735	275	610	557	1278	549	535	546	476	616	337	419	446	718	836	550	388	530	550	509	365	557	368	756	235	486	728	511	535	480	307	340	662	688	138	668	645	840	849	1139	773	840	1165	1272	535	744
niacinamide	8019008	8038634	25011952	24729531	16836115	16761095	7019687	6791548	5410346	9564270	8465167	4853057	9212237	5215719	9063310	5699140	2340895	4906339	6245263	6744784	8190925	3737322	6104062	6879351	6946178	5147515	8019008	7919868	4231817	6561721	6173276	4753499	5682138	13312456	10171283	16582255	9739135	10547002	7165764	8247106	6368734	5438016	7553373	3796238	3518537	3893421	5508016	9384677	8019008	7976889	7819807	41595779	8015659	7114472	6800355	10393349	11761043	9725315	4830221	6177220	21228376	21382455	20321028	20790421	8019008	8116701
N-lauroylglycine	18589	17555	4514	4289	4992	5784	5250	6420	4248	6230	15258	16094	14055	7136	23667	7320	23475	18400	18581	6043	5408	22296	21004	14913	20992	26792	18589	18451	15714	6512	45850	4865	7227	10921	16889	22767	23277	6054	6057	7409	7338	16354	8759	52009	41524	43277	6025	22792	18589	19326	6439	59374	6299	8697	3688	52123	7472	49481	8977	53536	6135	6357	12727	14450	18589	18794
N-methylproline	14055	13533	25929	26553	24068	23073	16920	13426	12325	10042	15427	12528	13018	18446	12434	14572	7429	8016	9260	10292	12773	7002	13574	10961	11446	11298	14055	14455	8665	10659	5729	7067	8304	7726	14884	11386	8950	9943	15457	13170	9950	14442	11819	12978	14215	20213	14440	15335	14055	14152	17256	16490	26046	27048	25006	21676	26201	26162	16328	32482	32058	31937	22963	23194	14055	15127
NMMA	119748	116675	176461	178471	250844	247948	131679	76363	108005	108705	131627	100259	112264	107151	131682	124227	100847	85348	114082	131847	240770	77563	157698	141706	150002	149415	119748	123610	77061	121255	58474	82178	100294	80535	177013	165974	79309	113857	96520	93688	93598	115350	85679	137448	101311	137576	103166	101768	119748	117624	125679	110313	110488	165719	159030	173044	137530	120923	143234	151711	205284	204255	251922	257367	119748	118249
ornithine	75633	75612	167065	169235	154997	157057	115801	47582	75111	68650	83927	64729	80549	98418	91902	73378	120657	59521	51059	76859	98888	49464	85798	89165	87910	75289	75633	77624	47179	75898	43544	66323	71182	51870	86834	106801	59099	79430	70462	75604	66421	99780	62442	96138	99779	102322	54997	66110	75633	76627	68254	80911	76842	94782	95015	67708	74973	68743	68138	87043	165738	169955	141840	145657	75633	74669
pantothenate	10403732	10382766	15518470	15314300	17138250	17147336	7548217	8816029	6595779	10328386	15974992	8968500	10091976	8505157	12766730	12691171	3739953	6289250	12149393	8979045	17940573	7105180	14897745	9530505	9688692	14091861	10403732	10513706	10910696	12965973	7036384	7133478	10513814	8950091	15471126	18124871	7726557	10124175	10775412	9783562	9440974	8006098	11696126	10341990	9088469	9933172	11495069	13213230	10403732	10402875	9217869	8784276	9519280	9465731	9054623	12751347	9932889	9034524	8332926	10436676	17371941	17283212	16852047	16738895	10403732	10303826
pantothenol	2670365	2477274	1486453	1425520	2080604	2054040	2226771	2520854	1339565	2857373	1866516	1428583	2473676	1729801	2110106	2920818	1655289	3107805	2438596	2146110	2206773	1703440	3556052	2738527	2557770	2143975	2670365	2612750	2420932	2232915	2133787	1893055	2206585	3870032	2176890	3171865	3120170	2650764	2739230	3496182	2753091	5171614	3027303	2949463	1998806	2005549	2052359	2963845	2670365	2683202	1609221	5105201	2057939	2842528	1199701	2658824	1868507	2239656	3569468	1826925	2309548	2152577	5091412	5248243	2670365	2668562
phenylalanine	99812059	98907169	171362030	169433373	167857778	168354997	115983098	82240248	90076281	90172610	129367014	90863247	110124806	120959407	118703375	107616473	67537864	67341311	91093885	118738973	129733398	66882196	122367438	108595554	126607556	109680480	99812059	99435933	78538098	103565507	64156705	80192420	97124692	74933329	131392764	130090947	83368806	96243862	97053204	83814532	83173088	112234328	84359366	113839183	97929981	117729593	96194043	96073605	99812059	102986503	92919504	93854752	111743828	103873144	100252972	132432558	102471944	94809089	95413381	123437286	192517814	192275742	159906064	163220548	99812059	97611462
phosphocholine	146509379	148369091	203959155	206035452	323285933	325872076	120076522	112738214	113592407	106309557	193778170	105797072	150132752	163718024	176349427	167369690	85658585	126730127	140271513	141209649	244114941	96514367	196759866	161460382	175804022	189089575	146509379	148417753	141814192	149890025	97665973	94542273	139839404	143667004	242764868	201319057	114607298	158946287	146924312	137108384	136349357	128270653	145487070	139134259	134735513	163562188	164424518	177914825	146509379	146949113	114621700	100951316	140000411	136734278	125323221	200868738	164659029	148862578	154716390	162951224	226716636	228665613	320737240	326945097	146509379	144791444
pipecolate	33439	31654	58303	61618	75246	77050	38241	22111	22159	25350	27415	21698	39322	38846	41082	38129	26778	30245	28154	33764	47156	21552	39345	41226	39584	31417	33439	35026	33236	37236	27680	34329	38320	29894	44031	43030	29579	29993	33272	28904	27765	35831	28653	34197	33692	38402	34856	34072	33439	33567	32252	31831	42679	37040	36701	39742	36547	28284	30009	46593	70810	70634	78180	79955	33439	34214
pro-gly	7149	6689	9686	9543	12118	12576	5800	5672	4960	5887	8693	5337	6070	6346	9065	7073	5541	5513	7060	8704	9589	4804	10519	7949	8566	9462	7149	7941	5902	7871	4308	5113	6141	6594	10118	9213	5739	7293	7921	5696	6296	6165	6626	6904	6025	7541	6923	8451	7149	6596	6210	6189	7673	7307	6456	9776	8090	7974	7522	9211	10388	11603	12336	14352	7149	7457
proline	2835223	2848166	4950470	5059382	6346003	6444866	3263691	2188751	2582616	2504696	3137748	2623234	2945218	2971515	3265480	2765802	1976641	2065084	2412865	2786633	3840342	2072972	4117907	3962962	3566242	3584852	2835223	2828079	1978513	2882870	1599991	2225736	2616973	2137505	3728728	3685558	2251021	2881098	2521892	2451428	2489399	2976680	2233033	3008584	3175555	3303763	2591162	2640463	2835223	2855127	2178104	2703616	2718517	3127601	2857479	3530263	3379944	2603334	3051685	3557824	5511035	5484581	5990576	6103624	2835223	2813022
proline-betaine	722459	736664	1108776	1095496	1196890	1208466	734150	460596	539581	530491	722789	518024	683105	605834	680515	615806	411779	536445	612033	677919	1380447	575264	1342930	764925	834703	1118269	722459	714790	635862	927418	318270	418197	593046	634252	1064666	1023953	482709	847574	597059	501811	585099	567411	520211	635279	610202	845370	711195	689600	722459	731668	698860	831003	791080	932401	937379	887233	904497	742849	873826	812717	1212189	1234030	1137745	1119883	722459	714574
putrescine	4524	4518	6110	6184	6140	5937	4217	2458	2372	3261	3646	2850	4016	5009	4980	4640	2969	4556	3693	5087	5278	2991	4750	3743	4552	3335	4524	4623	3829	3963	3245	3656	4791	4272	5296	5172	3501	4169	6049	3516	4865	4830	4302	4541	3915	4372	4771	5526	4524	4502	4953	4931	4570	4397	4731	7028	4584	5186	13216	5939	6601	7343	7257	7724	4524	4486
pyridoxamine	9037	9660	7755	7128	7585	6232	8552	9092	6747	9431	12024	8874	9429	9316	9152	8949	6310	5731	8101	8174	9810	9701	10173	8354	8697	9135	9037	9455	7672	10711	7014	7601	9173	8271	9089	9670	7471	7878	8319	7283	8477	7319	6539	6386	8179	7793	7609	8227	9037	8031	7696	7195	7552	7622	6399	10008	7937	8464	9754	9102	7421	8160	7401	6174	9037	9370
S-adenosylmethionine	134504	135125	206285	206282	293030	288984	144629	121871	120208	124626	190381	101204	132442	155297	163921	139337	83170	103856	106492	148714	187999	83599	187862	142044	152949	183916	134504	132520	107541	140972	80111	101454	130246	105659	198089	175392	100576	130902	133842	121551	113552	133827	119943	131444	116050	159814	126560	132877	134504	129176	100475	97204	142674	156030	130482	172096	141039	133411	143364	190444	236626	240919	305042	314765	134504	129675
SDMA	11232611	11726919	15208658	15849987	25293533	25439898	14772063	6587453	9117984	7922858	9332507	6604749	11821768	11070331	11210578	9226263	8166755	9727991	10644249	14759569	26060410	6301741	14219088	11717699	16703285	12880203	11232611	11665818	6493582	9194061	5305705	7947427	8355852	6720818	19326605	16308976	6717154	9867961	8844704	9714467	7277480	13034012	7313368	14190641	10541925	13393808	9270286	9556725	11232611	11596990	15238528	8658299	13805618	16854841	18660746	17671818	15100432	13191129	14737847	18306995	17920848	18038318	22693748	24177280	11232611	10389770
serine	107292	109872	96928	98754	118694	122854	125702	79409	92341	89073	99277	86180	101807	100253	101858	95010	97386	92515	87453	106656	144761	80862	138840	116518	130579	119156	107292	105184	73930	89392	68609	84934	91376	83070	127293	132559	91590	114874	93011	102024	84201	118557	85137	130774	131921	124564	86075	101832	107292	105330	101300	131761	105308	135235	119079	113830	127837	117068	118835	120919	101715	104425	130841	130535	107292	109797
serotonin	58867	60380	80326	75757	85628	86112	50713	45785	34176	37156	60244	33869	43865	89718	70406	75761	31784	51225	62682	92915	131656	36676	100324	81041	112323	69505	58867	62957	48064	51730	31611	41953	50666	54570	124336	112471	57332	78172	36457	41329	49573	33602	38811	56176	38759	45423	55871	43382	58867	56660	29199	67368	59218	73946	766	93698	74239	70681	54508	79370	82674	84988	94305	94915	58867	57222
S-methyl-L-cysteine-S-oxide	15305	15557	21003	19606	19289	18271	16483	15663	14431	15326	16741	12083	13091	14675	14406	17133	11562	11186	12236	14844	15886	13454	13020	15126	17745	14520	15305	15003	15749	13770	12335	12815	16237	13440	18634	19292	11863	17158	10979	14409	12722	18149	16163	15810	15071	19664	15876	15317	15305	14082	12308	10577	11109	10671	13756	12459	14811	17220	13906	15458	15879	16142	13935	19323	15305	16840
taurine	29009804	29333473	41235079	41257971	44201492	44165509	28595596	26361806	24002640	27585115	35704603	25246146	28004061	27583537	32151930	30645281	20055497	26423780	28320768	31938862	35555538	22867277	35299786	30888355	30151143	33678603	29009804	28638968	28258193	29787511	21815106	23424310	26497961	26839753	36160457	35923309	24985195	28899377	29299433	26885391	27004946	25218732	28978846	28009391	26260103	32250374	29195265	29332845	29009804	29396511	28388218	28699437	30327595	29939901	27694499	32694681	28842613	28862047	27414495	31247702	44222428	44365554	44389533	44212966	29009804	29300987
thiamine	67339	66624	52237	53333	82666	88581	27785	24638	36622	24328	49836	33232	49295	41502	43692	44914	20678	31529	25438	38951	76959	24690	125840	43695	41500	224719	67339	68778	34421	33450	18207	29459	31779	38327	54467	67630	36814	37524	793765	29476	45569	36969	32252	37146	31451	94937	56542	44897	67339	67168	28205	97161	41510	58088	37792	34859	46567	390254	34678	54629	58558	53689	96884	94692	67339	66526
threonine	134740	138874	147410	148058	147083	152596	163612	121426	142895	135133	152160	123811	146896	147939	141672	120340	124847	102111	114719	137367	151253	109723	149633	147906	151147	141196	134740	133346	107104	128805	100854	125467	128714	114366	152381	139608	110019	123596	126316	139561	125670	146756	121872	163312	162259	181108	116493	132679	134740	138383	103966	119824	127527	158849	149993	145193	157230	136527	147042	150990	156079	157958	154148	156221	134740	134837
thymidine	2838293	2828508	5128397	5234959	5513496	5357041	1904648	1934848	1168918	2713119	3130521	1426885	3780618	1475960	3214854	3450254	564358	2245113	2354725	1921697	5245592	1437682	3152774	2113530	2550843	3520546	2838293	3001699	2067103	3490369	1499061	1961465	2438407	2102264	3929926	6248072	1554304	2980673	2969462	1999442	2838971	1592312	2620167	2497755	1531417	2577261	2100717	3204881	2838293	3061622	2386180	3288549	2247138	2027278	2471918	3820392	1409445	1187743	1136073	2399281	5226543	4919572	3549189	3978167	2838293	2844132
trigonelline	92293	96687	95179	92847	108953	110467	98181	54830	83495	62776	75030	92397	89071	89506	91754	88662	96016	98877	86857	93707	118639	94316	123796	117525	123180	97492	92293	84966	33084	56137	49238	80525	68288	76281	100236	96741	82496	108095	88078	67472	77770	98051	69958	93052	89503	91841	79087	72584	92293	87974	103939	122755	88350	116741	107717	95795	107004	71373	89012	95792	97244	90527	111445	110907	92293	89345
trimethylamine-N-oxide	51351	50668	93119	94498	82269	81139	56569	39716	51886	46772	57566	41082	53363	55936	60907	57297	46865	53240	39260	41979	102219	44713	93319	72229	81870	77396	51351	50652	46476	68085	26794	37431	55338	42089	90672	75336	46182	65169	49081	44374	47704	55917	45179	53975	48948	47382	43361	37466	51351	50868	44164	13919	24211	60799	34737	30206	27160	32564	19115	70612	109448	107859	85912	83603	51351	51440
tryptophan	18704585	17914392	25552357	25554064	34105246	33628830	21270714	16658004	21723275	15651400	18474266	18302673	19681871	22652676	20438305	16376168	16697582	17688236	20189799	23453115	22071199	16159855	21507172	19949773	24061257	21052933	18704585	18441564	14614540	18043190	14864589	17469709	17354391	16297100	20241479	20044523	19252134	18637081	15819768	16254111	12837721	18911985	13710485	17676205	17148851	17061277	15348303	15713057	18704585	16587989	17525545	17397271	19865974	18982350	16906367	20591622	18813122	18965180	21540835	25301395	26094669	26781640	34509239	33615600	18704585	17558772
tyrosine	25816987	26062350	35722227	35565669	49967698	50186959	29414645	20307551	24385970	23143865	29815500	23255074	31347831	31217235	32234834	24898453	16484792	16847869	24459497	31963598	32981791	17739604	34455703	27999002	36690269	32588403	25816987	26025099	18731028	27635963	16305962	18165651	23545614	18587611	35813091	33124066	20020823	25532641	24380319	22401457	18461087	27278269	21765275	26108049	26634410	33100341	22087639	25249483	25816987	25349856	23370222	22904432	27264251	27053947	26390280	26131940	28586406	23905163	25067288	35721160	43640618	41930756	51521088	52309019	25816987	25980008
urate	564119	557142	722789	702920	2221806	2176515	481345	539478	524570	540680	821959	562565	719838	895366	535717	479762	578914	473838	517041	961260	908121	582489	842683	463241	847252	636200	564119	581799	445144	449550	318267	364124	389507	493430	921508	1125255	519858	620084	361606	380356	498227	326189	235288	610914	294017	377850	927754	536165	564119	591396	488522	821872	429018	673952	144566	698889	489853	456914	646779	673412	782693	766820	2718475	2682397	564119	570824
urocanate	184085	183142	4975943	5037258	582622	567736	89785	73527	157250	111529	255785	126601	321588	561574	132874	126524	1944677	184044	127872	715816	165823	296673	139070	162632	315833	125109	184085	183054	112343	171563	251780	110718	173467	94275	289919	298866	186821	204135	67956	56787	79470	176312	96325	273628	227545	185350	351250	129411	184085	186086	149534	256025	135592	162886	131192	230912	131225	90048	121885	219277	645669	650428	1047609	1026213	184085	181878
valine	148420700	149155301	234233128	239546944	255235023	253372362	156430762	112747372	128427709	122523378	172054361	128127030	148469335	175663711	176042015	150608237	104664892	109546628	153428268	206311514	216570170	108094754	190885763	185030327	220078298	184671105	148420700	152865883	109694588	140480102	87318174	117958988	133307482	119599809	205682803	175949176	130537618	149381363	137554928	120238435	116557817	169434724	121334106	169335521	142266708	180736893	132649318	128302629	148420700	150394367	133989058	131882482	183660673	177051976	147640093	207380395	174375366	142806202	151128378	218102835	265091992	264533913	250297948	246751706	148420700	146271119
warfarin	1181231	1144828	4623	4236	1712	1747	nan	nan	nan	nan	559148	691438	488336	nan	574215	779	720131	501940	436735	15841	987	440309	433042	482275	583494	458571	1181231	1175349	470829	nan	481639	nan	nan	nan	559705	398455	696806	397	36294	636	26379	26994	18199	2139026	4121704	8685621	22279	2102248	1181231	1138882	17316	3248867	14784	4251	2363	12935013	14748	7764224	4410	5854066	914	4812	6606	6505	1181231	1193673
xanthine	19971	20973	201269	204646	158715	158503	21756	14922	37088	29549	32905	22603	36196	39981	37533	24441	10581	10236	17678	21692	23229	14000	15900	12929	23476	14269	19971	20180	12917	17105	12049	11169	26434	18766	21432	22109	14423	18960	14718	11558	19606	6693	11812	11853	9289	12299	13344	17108	19971	19976	13112	86988	13895	18294	18451	25154	16020	17071	10786	16309	176811	177490	184096	185048	19971	19181
C14:0 LPC	589800	570537	968631	1043899	785946	810505	551225	483191	688554	542513	983095	803695	554668	771078	675373	517761	281057	314432	594630	789357	908687	499475	1049097	700695	693587	783849	589800	576070	539923	751546	285728	398171	535176	413443	896306	737054	391447	553933	684652	452752	559913	599042	524632	490175	508258	638038	721558	582992	589800	669904	531570	429863	529177	509298	525099	795584	508448	372093	599810	563210	1112240	1084287	913252	919544	589800	602977
C16:1 LPC	837709	921726	1204292	1214523	1062966	1095976	725814	631508	1301037	893943	1677127	1332834	852770	997513	926222	718875	412670	521711	1102764	1377290	1076531	938196	1300171	1132186	1075892	1000290	837709	908064	861062	1008542	431582	661448	857397	558162	1533315	1098458	610985	893159	747770	537430	683966	679261	686691	528310	534614	743948	938505	735408	837709	800264	794286	811322	685655	620795	686035	869015	681471	661318	667342	769999	1342319	1299527	1214521	1293024	837709	862143
C16:0 LPC	4520188	4645237	6267410	6442668	6553555	6477665	4404658	3851228	3989912	3898214	6430336	4038604	4674558	5361629	5322880	4326520	2452717	3141548	4129666	5112124	5581512	3114599	6232454	4740051	5132936	4971331	4520188	4455997	4653142	5204139	2868598	3534730	4608667	3701139	5727564	5365588	3456918	4316752	4849897	3912842	4398044	4609168	4352010	4176858	4152856	5398184	5230863	4860058	4520188	4459317	4101992	4165685	4082356	4331184	4417637	5000680	4173972	3953752	4347964	4682399	6937063	7007282	6570448	6659651	4520188	4668181
C18:3 LPC	886653	906014	1005141	1085295	1094493	1190550	858076	772317	917075	746846	1242143	1053691	764733	1402356	1091240	936115	766201	566055	836928	1159687	1007000	807705	1214711	851429	1023353	980439	886653	897745	927607	1144534	508646	730356	918195	737948	1060824	929461	627689	822567	877341	694215	828202	821789	874614	767426	744382	1064271	1018410	911090	886653	942124	904162	848932	901397	928520	895810	975798	773037	780713	785552	914369	1011468	1121729	1200166	1237731	886653	952261
C18:2 LPC	455383	451977	628112	647702	701754	704053	408360	375972	448575	403993	810790	559883	436668	421027	463998	414925	251794	316333	433911	484937	541938	426158	813337	647792	546714	634077	455383	447115	464886	593212	237066	394692	453165	381824	605034	547878	353315	477867	408233	318478	438231	430376	377305	357550	421253	449393	628148	416834	455383	441359	381469	220378	334059	417704	399383	461650	428958	329119	459152	500843	794140	794107	686645	697794	455383	463158
C18:1 LPC	186870	189379	250129	258050	250724	271949	170252	195720	203980	185148	322451	224056	189396	197383	188058	170740	105391	116681	199025	235718	250264	174622	302334	200917	203174	236996	186870	188046	200851	209324	115395	147737	186935	169508	262895	212411	153958	191723	164999	148482	161209	153482	168848	135333	156571	183158	219727	196372	186870	175510	157192	131933	157139	160536	167485	183191	162532	153241	188564	187489	271824	267585	299116	285714	186870	185593
C18:0 LPC	1713084	1709926	1609776	1623359	1779401	1798248	1247037	1476823	1254305	1324230	1956897	1272244	1480047	1520229	1540221	1430906	1222975	1618469	1810229	2120595	2273072	1430253	2131806	1864910	2013425	1809180	1713084	1677957	1695900	1654153	1206253	1302383	1512618	1790923	1933432	1883594	1510291	1701465	1929427	1412965	1896792	1718961	1837637	1350952	1391944	1724149	1757163	1645506	1713084	1701099	2112064	1222425	2060095	2056475	2297618	2142863	1768909	1863248	2161299	1989871	1689331	1656222	1927695	1936557	1713084	1658720
C20:4 LPC	76628	82900	87727	89991	94445	102174	83853	68313	73397	71840	112731	78600	104242	110765	85585	94586	47491	47011	57829	91808	95445	53084	103786	80384	97184	86188	76628	78898	84447	84898	57599	88445	86436	65217	91830	76705	60278	66303	90665	64320	84575	84879	87549	84114	89383	107789	153169	90093	76628	77601	65104	12650	59757	73542	64183	90249	68797	60060	97278	83898	107570	107464	102657	108229	76628	81803
C20:3 LPC	70425	71360	110864	115750	130084	136993	49479	42514	51810	39892	97564	66038	51118	120895	95499	69968	74687	51786	56327	100388	127452	56845	108587	52276	83320	104707	70425	76707	50553	82290	19306	46088	63230	41968	103207	85114	48191	66549	57435	41694	45439	58065	49158	74697	50538	92071	65996	58535	70425	71119	56494	42588	80742	106334	76705	127826	73531	81218	78496	140299	147561	161886	140884	150873	70425	77346
C20:1 LPC	262347	294603	611442	631893	675448	593537	220069	226695	199182	199457	444157	187366	352149	304516	262139	223348	73660	186887	293810	452413	524841	195495	474517	394775	414613	335572	262347	279542	189360	315242	146991	92843	271502	285931	516438	368776	174067	292171	393434	172013	333527	259615	367797	165307	272947	313863	250843	186625	262347	280005	240655	176121	357851	269285	478505	325311	232103	185638	243131	254192	665534	604909	550732	512063	262347	264643
C22:6 LPC	198649	195542	436443	469107	465972	467199	143858	128361	90764	123453	319818	119617	219608	154509	302455	243228	71495	135570	149152	301767	315835	91625	313885	319578	326251	217209	198649	204714	165657	173529	80361	92459	146762	199267	464904	385665	139365	261765	212262	137027	170167	165382	221479	188312	161959	279004	175791	234647	198649	210942	164569	191967	270147	234003	244835	379550	274867	248226	170488	285972	489225	499249	520695	531347	198649	212503
C22:5 LPC	54673	55584	110646	108258	107480	108985	56009	40889	33679	49954	90932	44616	67183	56483	82356	68983	17427	29023	35985	65599	74607	22178	72901	71519	76794	58688	54673	53931	45795	51670	21541	28251	48017	41597	102039	93420	31312	62292	65323	43109	48239	54604	63720	66387	52835	91960	47782	69479	54673	61098	40277	48984	66741	56593	61174	96877	66061	57756	42454	63105	115529	119249	108179	111517	54673	60990
C22:4 LPC	178347	182899	312766	295866	341219	340801	151602	102837	130779	147047	278182	151295	170519	175949	201708	171698	81432	106816	124689	171645	274500	79407	292967	201905	229454	249170	178347	188531	136650	110802	19391	78108	123336	128722	295151	223097	111876	120479	194727	103501	166442	166016	189555	207891	154274	241843	241985	219128	178347	198902	193454	120463	256346	227375	242593	364170	269373	208663	214439	287407	345223	345866	329956	325548	178347	214199
C24:0 LPC	152152	162755	241402	208103	267640	201951	137784	134624	109557	80537	188301	94695	169155	89745	168956	111008	31826	167997	177513	209682	236262	79652	283916	253796	255317	150520	152152	117367	145831	159130	140365	52595	129512	121433	266372	243207	151406	174649	193974	151121	163380	130798	177764	107953	149738	148586	172991	170416	152152	190219	86010	145204	219027	231596	244074	253512	258447	254526	230600	247234	276340	254836	328059	350075	152152	163670
C16:1 LPC plasmalogen	33694	30851	58280	57896	65053	67642	47283	29005	24227	28986	36707	13747	53734	53815	45860	33725	11638	28946	24180	64629	41001	13465	27463	38176	62356	31663	33694	34744	19592	37301	21702	19525	34657	27123	50064	32393	19770	33460	65058	25731	46004	49932	45221	33101	31204	59329	25088	25645	33694	34581	30133	20486	49529	40907	54251	41607	30391	27706	37936	46515	76347	74897	67079	73625	33694	33958
C18:1 LPC plasmalogen A	158088	189775	323226	308944	319621	347275	114445	172855	132232	117520	160447	88214	173325	211862	165142	150293	67100	133120	104940	214279	419287	117073	423169	168905	227879	147405	158088	169675	190102	123063	92038	74089	151635	138012	437681	178970	162365	168440	93162	110750	123197	75516	57546	109381	89159	107570	169544	115566	158088	141315	171694	191206	115970	133458	204745	220105	195476	162861	305691	244701	417551	413395	565649	507864	158088	136536
C18:1 LPC plasmalogen B	22105	25701	62804	71398	74277	75026	29600	21294	20452	18425	25738	14878	39976	41194	32534	26891	10192	12362	18292	30979	26775	7655	20732	25507	36265	25669	22105	24753	16071	24780	17922	14764	21084	12898	31641	25649	14741	21855	26965	27128	20152	27027	20638	29081	27799	30659	28340	25698	22105	22604	16264	14049	20692	22751	25289	35100	25941	23571	28888	32026	80946	82551	76506	78933	22105	24756
C16:0 LPE	102961	101893	113861	111103	97225	99206	87864	85781	81564	85261	145781	87289	101058	106259	108830	86900	58320	71950	107568	129009	168642	75806	176567	113537	125763	135996	102961	104262	89047	103956	53431	76843	93983	93188	153222	147068	90633	110981	97173	75847	86458	82695	86427	87254	79107	113214	98195	99353	102961	99073	96127	91869	98416	105456	106479	132642	105159	107299	105770	111716	124921	123682	109303	113099	102961	104106
C18:2 LPE	6337	10616	9612	9900	17952	18483	571	7290	3603	6995	17171	9771	4893	3574	8492	5274	2621	2385	9757	9057	14487	5149	17473	6492	6384	7891	6337	6332	10238	6719	4241	2906	3871	6178	10201	14586	7121	6016	6230	5797	5694	3792	8758	4249	3314	4982	4835	5860	6337	7590	10877	5646	7938	4120	7765	11461	5322	5043	3291	3124	7904	5528	9948	9101	6337	5082
C18:1 LPE	17476	15252	26529	22436	31122	30720	9242	26579	11343	11794	25338	9294	13476	14195	16311	16813	5534	12467	20362	21264	50038	15804	56661	15702	17914	22750	17476	17393	24079	14884	8466	8999	13929	17840	48097	29291	20191	19736	13206	11958	12007	6005	13357	8945	8252	9850	14057	14039	17476	16276	16240	24037	17786	12633	15133	18120	17200	18046	18622	18468	32271	30622	75609	66452	17476	18001
C18:0 LPE A	339910	353703	483674	503965	449837	440832	216971	316641	239838	312035	539333	265953	294089	274328	387482	313964	197699	256252	410750	458399	660276	275184	701866	350998	403508	523994	339910	372588	341171	385257	202573	228443	290607	399948	520109	599245	323273	396995	338472	267887	308553	233185	310361	272810	233099	306592	353673	392386	339910	355900	361826	365293	392959	405232	386578	553485	397676	385219	371909	359441	436420	456344	505363	480807	339910	345854
C18:0 LPE B	19397	20408	45873	45776	43817	43245	21458	19611	21820	18958	33271	24033	21175	27695	25666	19308	10878	11565	18473	22860	26327	13202	28905	19927	20617	27303	19397	19995	21160	27899	10640	15659	18803	14949	29206	26477	14176	18693	18966	15964	18919	18044	15567	17313	18773	20222	24080	20086	19397	18806	14028	9873	16621	17639	16214	20901	17658	16766	20325	20566	50269	53519	42137	45476	19397	20527
C20:4 LPE	1039418	1082268	1245660	1477152	1691514	1529994	458132	796019	605421	928715	1489363	493072	1004407	840758	1221474	1160939	433737	524945	863984	1186734	1458428	714185	2386734	874150	1201706	1231738	1039418	1133734	1092091	861170	645362	670213	913136	1428853	1083649	1588051	833689	1050174	736085	455856	927791	522965	881635	630674	904092	701117	1168794	985461	1039418	953687	981601	628163	1235581	801580	1015448	1404598	687325	1172951	1091038	1142746	1412519	1436822	1750574	1642525	1039418	1194348
C20:0 LPE	47057	43624	79722	85868	80717	83924	41275	44222	48104	40568	70910	42617	51791	58502	55778	45172	26450	28370	39118	54422	60178	31464	64464	42815	48877	50262	47057	45346	54801	63655	30698	38234	46226	34584	58372	57267	34300	43270	55273	42471	49595	46807	43648	42118	43847	46957	59447	53293	47057	45665	35274	28936	43733	53086	42067	53696	46014	44290	60357	54253	92418	94816	92128	96992	47057	49214
C22:6 LPE	298356	324144	317031	333617	360369	364261	152866	233469	185458	256750	435890	202478	254288	241912	326918	299911	160947	211373	314502	353910	395462	215750	523776	319474	295155	337218	298356	277604	371067	291375	168913	180462	238134	347256	434119	391467	257580	370504	300666	199866	299050	229020	320468	243691	257296	304215	277954	326934	298356	296933	286679	227198	406049	277786	341738	420165	307973	312084	278299	314067	321904	329735	422111	404455	298356	317037
C30:0 PC	2803923	2806689	3066141	3033670	3823938	3699804	2189569	2147217	1810361	1764539	2589309	2077912	2677198	3410322	3479276	3228595	1802788	2244521	2541627	3451531	4046285	1871464	3669077	3627132	3339427	3064185	2803923	2783636	2455429	3342169	1727733	2433273	2924452	2360667	4051097	3392001	2109142	3189884	3347307	2773571	3141492	3023201	3251029	3140302	3209762	3462527	3485926	3425364	2803923	2821969	2640510	2070409	2829119	2902062	3041337	3467455	3257027	2489888	2680803	2988502	3293291	3299382	3757603	3859081	2803923	2809000
C32:2 PC	1232814	1204929	1760146	1752180	1986299	2023283	916466	993828	1043005	941698	1308214	1215705	995707	1252733	1356089	1156047	958784	1043180	1603972	1465672	1689669	1286181	1570727	1430477	1478956	1425569	1232814	1225610	1244388	1579870	982459	961645	1242976	1203574	1612209	1568017	1243479	1416283	1174113	1001570	1077488	1042727	1123386	1034129	1005195	961740	1294526	1102081	1232814	1200751	1234149	914052	1217731	1171885	1125332	1446667	1139058	969430	1193239	1157749	1849594	1820492	1888020	1833419	1232814	1222405
C34:4 PC	469832	421513	531245	525229	446963	472880	402840	394002	489011	423488	373158	476305	437993	599919	493929	462840	506806	384651	408530	487122	516704	387116	491768	495372	600190	497382	469832	503087	376144	582503	453000	506093	511868	453001	496603	411753	453213	506933	516264	435812	463573	550741	463166	472931	526080	483948	489267	477487	469832	452931	409286	309601	464402	496753	474508	566808	455271	435603	591711	482366	604682	606855	553872	574441	469832	537244
C34:3 PC	4149801	4133794	4356105	4343467	4477587	4651068	3572729	2968777	3339895	3154203	3556301	3495628	3780578	3950857	4098105	4087015	4115780	4390086	5801101	5091341	5059626	4668261	4520255	4871150	4839441	4200863	4149801	4246624	3777442	4066359	3529952	3579095	3931107	4108244	5149559	5210782	4486020	4802698	3666060	3613449	3885686	3706336	3715372	3774901	3459067	3810504	3953365	3363635	4149801	4130754	4268550	3932132	4743482	4171408	4175829	4682839	4230275	3942501	3754135	4454888	4567228	4604102	4621600	4477860	4149801	4306291
C36:2 PC	53314511	53383894	64739848	62584320	70314570	73351670	35932499	58460877	41920702	55510219	80522951	56110783	38455131	35213444	46099004	49090030	37915388	48170806	83053204	57080736	74435617	66194749	78506736	47864116	47264993	69874371	53314511	55035508	64987421	59116926	46546009	38854195	50673797	63572682	63057805	78302215	57486299	61721774	45019205	47254597	45319066	33068343	49522078	38643020	36129607	35108142	51786218	48711750	53314511	54299448	56348615	49876070	60303494	48077952	46616921	60660201	49083460	54700985	50346887	53361379	65256253	64634426	81138515	80333087	53314511	55377700
C34:3 PC plasmalogen	1432381	1448707	2473913	2405181	2563499	2698775	1881874	1419293	1245612	1426984	1552254	1369789	1819196	1775003	1964640	1653954	1352549	1565358	1001748	1572680	1127898	1036065	1124233	1578182	1588762	1235021	1432381	1506638	1545195	1566199	1602484	1538825	1601056	1209379	1346955	1451353	1300108	1423344	1494177	1751840	1651607	1632933	1525474	1609647	1526554	1502270	1502287	1401881	1432381	1499605	1285907	1344381	1435936	1321717	1408920	1363763	1227077	1239987	1339457	1455597	2461560	2461517	2510461	2566056	1432381	1456292
C36:5 PC plasmalogen	3195475	3059000	5049902	5202800	5087708	5076428	4485211	2367382	2572475	2650404	2884660	2324424	3878458	4105779	3866343	3044030	2737354	3323205	1974390	3312357	2663584	1743888	2481181	3033016	3782774	2361816	3195475	3179247	2335632	2619543	2424059	3138979	2723639	2534807	2944029	2950276	2300687	2565281	3167292	3502196	3532325	3641990	2907930	4256499	3926156	4122063	2981356	3220940	3195475	3304536	3656028	3513192	3365366	3831447	4026879	4295816	3740704	3841999	4074846	4212425	5935850	5742334	5108147	5088394	3195475	3231494
C36:3 PE plasmalogen	773520	749360	862830	851480	1015556	1034860	606606	1375239	584594	614659	655292	605102	698121	889877	870644	1038249	556229	852748	626481	813830	1159645	805774	1345451	722461	683550	594200	773520	750058	1147210	712955	675258	466710	731585	613465	1182799	658902	1002522	793472	721584	886769	653386	461660	611565	532840	618573	535034	810262	681590	773520	742821	755825	1211163	681654	625783	672736	639883	863705	855651	854133	769746	979866	1028635	1824535	1762433	773520	772720
C38:7 PC plasmalogen	32824211	30242710	56432049	58042896	62161678	61912938	34539698	29830445	22344293	26753814	36103193	23163731	38844958	36798859	44654703	36140759	24881148	33442408	23214839	40621703	34445875	18632612	30473625	38740439	38734563	32639089	32824211	32899453	27825633	34342704	25058928	27535580	29205711	26511500	37413726	34442624	24662857	33351681	32334809	29888975	34540800	30382807	32246989	32714924	34765396	39054150	30835916	33617795	32824211	34584574	27542271	30486922	30927345	34488532	32942633	36681770	35642570	32625661	31968931	41037469	65000251	63459619	62190981	61338425	32824211	33074153
C34:2 PE	3477226	3586798	3065079	3208778	2927421	3097865	3203890	2582190	2630534	3037015	3548220	2709123	2853463	3300591	3565617	3126296	2702384	3804157	4781699	4173068	4484426	4029314	4800342	4143080	3864024	4306256	3477226	3439202	3513565	3433734	2645070	3249260	3439600	3353465	4335991	4893224	3813268	3972117	3331984	3088443	3072582	2882588	3480528	2938509	2715803	3097820	3374541	3091810	3477226	3535469	3675126	3560269	4061354	3552315	3267086	4513137	3619234	3713671	3393796	3902827	3186929	3236632	3342251	3262199	3477226	3648930
C34:0 PE	1180759	1243228	1446437	1455739	1719658	1723441	1225486	1148929	1123356	938248	1245808	1075219	1310565	1575712	1432462	1389438	912834	906154	880907	1157240	1260979	764152	1303780	1172738	1189312	1213208	1180759	1165345	1122505	1442235	869053	1043906	1221343	1037595	1473926	1199811	829032	1107954	1460751	1365747	1404793	1353245	1242650	1420508	1447609	1395350	1500657	1311486	1180759	1198572	876452	866119	1291695	1449889	1235135	1079252	1414369	1186842	1133944	1206296	1552640	1527852	1688060	1704283	1180759	1160157
C36:4 PE	4951325	4903064	6798133	6810196	6913740	7259493	4623931	3745952	3447718	4110410	4942693	3441791	4623899	4978761	5660129	5016067	4095084	5269969	5949159	6005857	6314918	4227202	5997099	5920893	5603343	5716147	4951325	4954525	4482300	4952162	3691633	4295495	4571636	4520434	5910368	6519005	4748751	5251662	4661597	4521246	4728526	4379488	4745811	4608805	4699489	5127056	5254206	4850946	4951325	4938340	4912779	5098628	5456540	5320086	4713787	6327010	5446638	5111554	4862759	6037677	7211982	7529295	7269041	7020587	4951325	5033841
C36:2 PE	10084868	10213976	10208739	10355388	10192106	10934600	6570907	10399959	7408760	10184161	12247117	8971085	7772987	7591906	10860728	10299614	7539433	9684520	13956037	11482496	13079021	12040244	13178932	10497681	9745387	12281903	10084868	9989577	12388423	12397423	8909726	7767693	10268832	12004448	12056466	13660692	10997120	11375046	10037034	10497620	9997987	6767283	10336876	7582901	7521518	7664650	11220778	10005989	10084868	10294941	10090393	9408854	11265097	10075562	8808263	11681576	10271733	11313034	10142177	9682175	10148733	10511622	12320424	11694762	10084868	10321550
C38:6 PE	10998306	10949768	8359900	8389702	8730630	8925274	10569131	7997092	8792189	9065431	9564543	8832156	9610964	11141995	10845808	10137055	9246294	11244554	11072184	11367392	13247048	8984296	13106207	12555674	12174726	12286430	10998306	10633761	9081692	10046789	8165467	11177389	10538887	9890570	13102505	12636426	10415429	11993607	10797550	9382523	10112654	11369431	10612405	10955319	11974933	13895878	9822875	10452406	10998306	10228417	10039696	10677876	10625795	10964627	10573912	12266140	11927540	11361018	10389777	12024258	9175124	9397912	8620649	8390395	10998306	10900825
C38:4 PE	14628708	14606165	20666142	20898117	21652010	21830213	10739488	14502999	10569051	15248925	18549686	12581116	13776038	12500732	16134362	16369150	10447485	12565086	13664028	14970358	16461877	11599239	14782068	14178980	14016016	15652001	14628708	14285804	15288718	16524824	11423723	10520022	13717430	15685177	15781288	16248914	12533444	13717948	15050836	14941446	16249885	10507374	14874082	12672860	13658982	13458456	17412741	17049371	14628708	13484442	13475037	12647172	15057048	14564485	13374837	16388519	15459329	17035898	15394123	15281242	20592604	21330066	22902511	22498411	14628708	14680565
C40:6 PE	29120134	29429464	24643665	25298430	26791635	26962363	16462415	27897007	20820902	26207742	34141248	25660696	22838768	21598540	29746901	30538110	19603342	25638235	32987521	31443745	37747656	27635871	36380377	28004104	26743664	34654223	29120134	29437871	34025143	34095020	23707965	21981526	29435710	35090592	38044863	37672741	29932733	33673743	29014888	26674730	29820238	20656985	30410738	22730346	23856691	26014873	31318262	31606224	29120134	26999847	26648184	23450432	29052307	28058543	24775760	32006286	29944959	33030361	29076305	28452016	24464577	25222003	28026365	28067428	29120134	29612697
C34:3 PE plasmalogen	690731	693448	765997	761452	819197	866208	664659	681851	502531	669718	794839	537165	640342	615770	882826	807208	538663	723707	686034	852576	816458	615043	816056	743536	778423	732486	690731	686911	848798	748937	575871	605540	715116	691619	849667	870579	684508	705294	689595	701380	687889	575498	674877	637380	642060	702297	703928	670892	690731	683837	692357	726634	746391	710746	613442	681482	685441	757790	721579	758114	817762	840433	1030622	990847	690731	735134
C34:2 PE plasmalogen	822638	801767	713249	707390	743266	766871	1146406	982746	736720	755382	610866	676307	873576	1025306	965006	938938	901519	913252	676565	856367	808908	772219	956737	924293	845521	610695	822638	812201	858140	749771	711131	784698	812499	733863	913813	678667	847387	760458	874848	1059959	835509	905504	759281	908512	951528	879021	788049	788372	822638	849960	799673	1020354	846009	912675	875850	796545	964316	946423	895573	893928	774023	813255	1137280	1121347	822638	846333
C36:5 PE plasmalogen	1184424	1165096	1272915	1298635	1289330	1278528	1150938	936494	1032599	1035544	1340655	1096349	1197953	1376679	1201816	1121871	859261	1175220	1073429	1340132	1127705	866384	1192536	1124039	1505193	1146340	1184424	1188941	1113280	1006638	892339	1217826	1085511	1107081	1325627	1346136	1057925	1141546	1034404	958735	1086150	877521	881959	1172840	920687	1062671	1139933	1070359	1184424	1083915	1430521	1229102	1251890	1271226	1286845	1506127	1181666	1458765	1436786	1581289	1376519	1424281	1413129	1407693	1184424	1198954
C38:7 PE plasmalogen	23989402	24174588	24604372	25167120	25222832	25480628	24520662	19557714	18309019	20476445	24350700	18435268	22599355	22410893	27031731	23780131	20077868	23966277	23088329	27891989	28251653	19373297	26401337	27785769	27704936	26466781	23989402	24858806	23743271	24582747	18384381	22199439	23153104	23504005	30228509	28009130	22800524	25201563	23092656	22485715	22461322	23509548	22794542	24308403	23967463	28714440	22256769	23683421	23989402	22660296	24041030	25025364	24598859	26933546	23495802	27223935	25038952	25102311	22976978	28455265	26406245	27088748	25328104	25711254	23989402	24576103
C38:5 PE plasmalogen	22790613	22898677	25161111	25395252	25548542	25560528	24734298	20813147	20725026	21924077	25096839	22027720	24128006	28274350	25540206	26392255	17408723	21596702	21026322	23869704	23847114	18115713	24652669	21828306	25167798	22391437	22790613	23804953	23111316	20105822	18479457	21573436	21390636	20390600	24600213	24183141	19966463	20358305	23508979	22479015	22837743	20920856	20076201	24635537	21061174	22827725	25021681	23910381	22790613	21445815	25544300	23992866	23162372	24513814	23873421	26429988	24054487	26848071	25723696	27223984	26424498	26419749	29985963	30212105	22790613	23412129
C40:7 PE plasmalogen	20119823	20511747	26322099	26685000	26843375	26892876	20973787	19824405	17747734	18808007	19949327	18602103	21956265	23481611	24652865	23282905	17349184	19989160	18929966	22499013	22377262	16274871	22757411	22588925	22211614	21413225	20119823	20484353	19701763	22037755	17872901	18395570	20086496	17375716	24440444	21324781	18527295	20987048	20256989	21427147	20343595	20941093	19285132	20829810	21984783	20972988	20983678	21009198	20119823	18339163	18497998	18844205	19325892	20720962	18846221	19892681	21436005	20380109	18598932	21739858	26458146	27264679	26701036	28097637	20119823	20402453
C36:3 PS plasmalogen	69564	69239	158728	149000	127511	134054	46854	47422	36174	56260	73688	36699	54554	77646	70293	54607	44384	66307	125222	98399	148928	65950	89590	82525	57878	94084	69564	72911	66148	66402	32781	38214	69380	101633	134293	109642	64341	99679	77568	68894	50567	77688	55169	49738	47315	62441	76823	61606	69564	66745	45479	104636	89461	58204	64040	93705	94320	100324	55994	119706	238587	234990	120400	145227	69564	78828
C36:2 PS plasmalogen	110042	123067	255406	261517	234615	230748	74766	79622	60467	78399	131989	57499	87489	120834	108197	94242	58744	103960	165592	140954	201226	87871	164799	130734	120466	140769	110042	115423	102066	94847	52131	56428	102594	155051	209556	163777	107825	128939	156574	144672	117139	159718	141466	84147	106777	118536	135911	133389	110042	131395	91923	139094	190585	116897	145569	198563	161311	153910	77649	120550	281964	271607	195243	214092	110042	108553
C16:1 SM	167400	160968	222831	231640	279856	267254	169303	104994	130378	110530	216064	136556	179901	244381	168646	184865	81621	159267	90356	263684	288152	108036	261186	197438	301805	164580	167400	185738	167349	166158	122087	162653	170766	117884	294969	170198	138009	159602	196897	149253	165620	169069	152147	212238	161052	212169	224667	192739	167400	189322	134711	184350	221267	198493	190109	238122	191401	157049	228127	241434	283554	291270	296875	314508	167400	162965
C16:0 SM	4312550	4256099	4839064	4973602	5676824	5602491	4268381	3126900	3449131	2960500	5716383	3244370	4309407	5836830	4452477	4850108	2425698	3889127	2475066	6019730	6557177	3075464	6297481	4725772	6271697	4440202	4312550	4565937	4276062	4325111	3164795	3970320	4279175	3539634	6853599	4799049	3528263	4360946	5141355	4134979	4505670	3805417	3920557	4802900	3726703	4801552	5626775	5063870	4312550	4645171	4466409	4217125	5874340	5367505	5551588	6100519	5384064	4838082	5479524	5531567	5475906	5396636	6513987	6537740	4312550	4170435
C18:1 SM	1302610	1235029	1812149	1788494	1940334	1815205	1423164	917941	1074044	938618	1256081	911252	1297660	1413554	1365700	1255679	849475	1133351	1135588	1582116	2090167	814817	1560639	1531651	1702615	1404016	1302610	1282887	1024287	1296279	761555	1046660	1237672	1034067	1998693	1643308	1019194	1439622	1429341	1247644	1174118	1419351	1160974	1748824	1375292	1818800	1241829	1394152	1302610	1330264	1113396	1370827	1438529	1584049	1454798	1930508	1598949	1338187	1217545	1704422	2141844	2136598	1908807	1895424	1302610	1266488
C18:0 SM	20212172	19466660	21520986	21365145	22235463	21041116	23666999	16935397	16709101	15235913	16973926	13900862	18957296	20975007	21483918	20462632	16259621	18256579	18728602	21614325	25585284	14954121	20834459	23484867	22269529	19247259	20212172	19820928	15161807	19301187	13724126	15467238	18407827	16834729	27364604	22105774	16513644	21031511	23764357	23973232	19954026	21615299	17877700	24008352	21387265	23583059	20636272	21727469	20212172	20506931	17696712	20266039	22230928	23568682	23077360	25582673	26439631	25360626	19057270	21110828	20908931	21223753	23895574	23748554	20212172	19788779
C20:0 SM	517679	524644	520685	524098	521411	560603	432200	484816	386118	382503	616446	428163	482263	500739	508855	538471	324016	477781	621437	515237	541245	406869	620041	544176	588306	482736	517679	514310	520796	482597	347539	337456	439261	479728	677708	657841	406572	467004	555119	570327	507790	382929	407957	518756	429080	427112	540962	496957	517679	537146	457234	538695	615720	557895	489091	610299	604545	654833	497394	522139	479359	483814	706457	677120	517679	487758
C22:0 SM	525153	520453	362670	396405	425372	422215	365647	491550	358622	387650	505654	385514	426747	393663	514493	506926	350023	475052	676160	459926	523789	484218	668883	558821	597290	498397	525153	511215	622566	492765	385625	353370	431317	561143	740822	638570	461514	464217	496700	510027	471636	336462	352701	438959	380516	368086	503827	488351	525153	551708	499380	505638	585669	525442	486071	563839	582269	716280	527883	511900	378947	396451	599148	622459	525153	490281
sphingosine	272439	278057	303580	304048	369994	389392	206220	200133	191385	209474	353497	168618	240325	288986	313351	275912	173552	176335	306542	407867	437106	192987	390600	244245	357173	323674	272439	282189	239151	307527	162763	193965	276549	292628	430394	414837	251061	313128	282553	216020	215526	210494	252733	257654	196293	279583	258447	290230	272439	255111	302911	291865	324182	342896	271441	454998	277649	288351	337084	315496	289673	298720	415504	406206	272439	266020
phytosphingosine	737128	719894	620911	577517	704047	681693	449329	482279	342508	466835	594793	406890	482046	579824	657645	613948	588355	606570	730492	1022868	851653	411701	1048426	648521	766806	779356	737128	658122	565987	589961	399269	373123	536063	726685	907428	896767	667614	653712	594806	487642	703123	689206	535503	618635	476149	660412	599877	685693	737128	714864	568821	795562	825528	767640	598600	1053887	739369	720116	1037536	868280	659673	656002	934637	991512	737128	726156
sphinganine	25642	26551	34490	34280	62251	61625	14999	18321	25355	19239	37711	15205	23465	26340	33146	29179	18986	22964	34547	39936	46209	17798	37702	23275	32064	29375	25642	26203	22862	29277	12893	15531	21839	33401	38443	42660	21156	26917	26391	22359	27499	17419	23044	21442	18195	24792	26154	32424	25642	26646	27520	44274	39646	29834	23167	37406	29907	28425	32645	25707	30674	33199	75699	77801	25642	27326
C16:0 Ceramide (d18:1)	192074	175907	320486	302867	258636	293548	247618	141420	250366	188961	183076	131870	222842	309430	216325	192155	121248	149965	144786	310180	247356	160901	199796	151182	273960	141800	192074	193622	154191	174388	181711	336411	277034	182146	211559	160837	167021	220355	249540	203968	213638	147235	165346	191347	132718	92857	348513	182103	192074	191910	261298	129042	229441	204161	259280	87398	202825	149556	276452	114684	373799	387614	430300	419432	192074	201761
C24:1 ceramide (d18:1)	643789	653442	709993	715258	631927	584423	765797	672219	544574	679153	687802	541469	684138	703457	676251	568116	439578	600626	737659	752281	860608	572665	617584	718896	850277	540809	643789	580497	649707	619188	560041	774041	577595	585372	709614	739783	505311	757260	897863	853950	703656	661729	607945	570213	582139	430616	634678	698186	643789	663415	801077	652158	871723	702998	861721	521242	881462	748398	767905	480831	752999	740440	856648	875214	643789	661169
C34:1 DAG	168450	154479	5983	4748	5642	2177	6967	3360	12934	10503	418469	214363	407154	5278	514718	3157	461810	297707	139904	12354	10540	278642	494128	351478	260794	102181	168450	175403	236665	1306	480856	19855	5500	3445	453584	310353	369606	6451	6198	2501	1997	1522	2913	439736	292367	434229	3315	385480	168450	180690	9767	257948	7155	5730	2195	258432	4534	504740	2853	274579	8399	10289	5856	6732	168450	173812
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	formula	mz	neutral_mass	refmet_name	rt
phenylalanine-d8	C9H3D8NO2	174.1351	173.1292	phenylalanine-d8 [iSTD]	6.72
valine-d8	C5H3D8NO2	126.1363	125.1292	valine-d8 [iSTD]	7.43
1-methyladenosine	C11H15N5O4	282.1183	281.1124	1-Methyladenosine	7.67
1-methylhistamine	C6H11N3	126.1024	125.0953	1-Methylhistamine	9.86
1-methylhistidine	C7H11N3O2	170.0911	169.0851	1-Methylhistidine	10.44
1-methylnicotinamide	C7H9N2O	137.0703	137.0715	1-Methyl nicotinamide	8.23
21-deoxycortisol	C21H30O4	347.2197	346.2144	21-Deoxycortisol	2.01
2'-deoxycytidine	C9H13N3O4	228.0961	227.0906	Deoxycytidine	5.98
3-methylhistamine	C6H11N3	126.1024	125.0953	3-Methylhistamine	10.44
3-methylhistidine	C7H11N3O2	170.0911	169.0851	3-Methylhistidine	9.85
4-guanidinobutanoate	C5H11N3O2	146.0916	145.0851	4-Guanidinobutanoic acid	7.25
5-methylcytidine	C10H15N3O5	258.1073	257.1012	5-Methylcytidine	6.02
5-methylcytosine	C5H7N3O	126.0659	125.0589	5-Methylcytosine	6.1
7-methylguanine	C6H7N5O	166.0711	165.0651	7-Methylguanine	5.75
acetylcholine	C7H16NO2	146.1168	146.1181	Acetylcholine	7.72
acisoga	C9H16N2O2	185.1268	184.121178	Acisoga	5.6
adenosine	C10H13N5O4	268.1028	267.0968	Adenosine	4.98
ADMA	C8H18N4O2	203.1486	202.143	Dimethylarginine	9.75
alanine	C3H7NO2	90.0549	89.0477	Alanine	7.81
allantoin	C4H6N4O3	159.0502	158.044	Allantoin	3.65
alpha-glycerophosphocholine	C8H20NO6P	258.1089	257.1028	sn-Glycero-3-phosphocholine	10.47
anserine	C10H16N4O3	241.1278	240.1222	Anserine	10.44
arachidoyl ethanolamide	C22H45NO2	356.3503	355.345	Eicosanoyl-EA	1.98
arginine	C6H14N4O2	175.1176	174.1117	Arginine	9.14
asparagine	C4H8N2O3	133.0604	132.0535	Asparagine	7.94
aspartate	C4H7NO4	134.0443	133.0375	Aspartic acid	7.99
beta-alanine	C3H7NO2	90.0549	89.0477	beta-Alanine	8.03
beta-guanidinopropionate	C4H9N3O2	132.0764	131.0695	3-Guanidinopropanoic acid	7.49
betaine	C5H11NO2	118.0862	117.079	Betaine	8.98
biliverdin	C33H34N4O6	583.252	582.2478	Biliverdin	1.99
butyrobetaine	C7H15NO2	146.1167	145.1103	3-Dehydroxycarnitine	8.81
carnitine	C7H15NO3	162.1113	161.1052	Carnitine	8.86
C2 carnitine	C9H17NO4	204.1213	203.1158	CAR(2:0)	8.71
C3 carnitine	C10H19NO4	218.137	217.1314	CAR(3:0)	8.37
C3-DC carnitine	C10H17NO6	248.1114	247.1056	CAR(DC3:0)	9.53
C3-DC-CH3 carnitine	C11H19NO6	262.1274	261.1212	CAR(DC3:0(2Me))	8.62
C4 carnitine	C11H21NO4	232.1528	231.1471	CAR(4:0)	8.01
C4-OH carnitine	C11H21NO5	248.1479	247.142	CAR(4:0(OH))	8.92
C5 carnitine	C12H23NO4	246.1686	245.1627	CAR(5:0)	7.79
C5:1 carnitine	C12H21NO4	244.1531	243.1471	CAR(5:1)	7.88
C6 carnitine	C13H25NO4	260.1844	259.1784	CAR(6:0)	7.57
C7 carnitine	C14H27NO4	274.2	273.194	CAR(7:0)	7.43
C8 carnitine	C15H29NO4	288.2155	287.2097	CAR(8:0)	7.31
C10 carnitine	C17H33NO4	316.2465	315.241	CAR(10:0)	7.09
C12 carnitine	C19H37NO4	344.2776	343.2723	CAR(12:0)	6.9
C12:1 carnitine	C19H35NO4	342.262	341.2566	CAR(12:1)	6.96
C14 carnitine	C21H41NO4	372.3087	371.3036	CAR(14:0)	6.74
C14:1 carnitine	C21H39NO4	370.2931	369.2879	CAR(14:1)	6.74
C14:2 carnitine	C21H37NO4	368.2774	367.2723	CAR(14:2)	6.81
C16 carnitine	C23H45NO4	400.3399	399.3349	CAR(16:0)	6.63
C16-OH carnitine	C23H45NO5	416.3349	415.3298	CAR(16:0(OH))	7.08
C18 carnitine	C25H49NO4	428.3713	427.3662	CAR(18:0)	6.53
C18:1 carnitine	C25H47NO4	426.3556	425.3505	CAR(18:1)	6.54
C18:1-OH carnitine	C25H47NO5	442.3506	441.3454	CAR(18:1(OH))	6.98
C18:2 carnitine	C25H45NO4	424.3399	423.3349	CAR(18:2)	6.6
C20 carnitine	C27H53NO4	456.4017	455.3975	CAR(20:0)	6.42
C20:4 carnitine	C31H54NO4	448.3398	447.3349	CAR(20:4)	6.5
choline	C5H14NO	104.1068	104.1075	Choline	8.26
citrulline	C6H13N3O3	176.1015	175.0957	Citrulline	8.37
creatine	C4H9N3O2	132.0763	131.0695	Creatine	8.33
creatinine	C4H7N3O	114.0662	113.0589	Creatinine	6.45
cyclohexylamine	C6H13N	100.1119	99.1048	Cyclohexylamine	6.38
cystine	C6H12N2O4S2	241.0296	240.023848	Cystine	9.09
cytidine	C9H13N3O5	244.0915	243.0855	Cytidine	5.86
dimethylglycine	C4H9NO2	104.0705	103.0633	Dimethylglycine	8.54
ectoine	C6H10N2O2	143.0808	142.0742	Ectoine	8.94
GABA	C4H9NO2	104.0705	103.0633	gamma-Aminobutyric acid	7.67
glutamate	C5H9NO4	148.0596	147.0532	Glutamic acid	7.66
glutamine	C5H10N2O3	147.0755	146.0691	Glutamine	8.05
glutathione reduced	C10H17N3O6S	308.0894	307.0838	Glutathione	7.91
glycine	C2H5NO2	76.0391	75.032	Glycine	7.94
guanidinoacetate	C3H7N3O2	118.0611	117.0538	Guanidoacetic acid	7.88
guanosine	C10H13N5O5	284.0976	283.0917	Guanosine	5.28
histamine	C5H9N3	112.0869	111.0796	Histamine	9.18
histidine	C6H9N3O2	156.0758	155.0695	Histidine	9.37
homoarginine	C7H16N4O2	189.1329	188.1273	Homoarginine	9.23
hydroxyproline	C5H9NO3	132.0652	131.0582	Hydroxyproline	7.89
hypotaurine	C2H7NO2S	110.027	109.0198	Hypotaurine	8.01
imidazole propionate	C6H8N2O2	141.0652	140.058578	Imidazolepropionic acid	7.46
imidazoleacetate	C5H6N2O2	127.0501	126.0429	Imidazoleacetic acid	8.12
inosine	C10H12N4O5	269.0868	268.0808	Inosine	4.91
isoleucine	C6H13NO2	132.1015	131.0946	Isoleucine	7.09
kynurenate	C10H7NO3	190.0482	189.0426	Kynurenic acid	5.28
L-alpha-glutamyl-L-Lysine	C11H21N3O5	276.1543	275.148122	Glu-Lys	9.73
leucine	C6H13NO2	132.1015	131.0946	Leucine	6.96
linoleoyl ethanolamide	C20H37NO2	324.288	323.2824	Linoleoyl-EA	1.99
lysine	C6H14N2O2	147.112	146.1055	Lysine	9.39
methionine	C5H11NO2S	150.0574	149.0511	Methionine	7.05
methionine sulfoxide	C5H11NO3S	166.0522	165.046	Methionine sulfoxide	8.65
methyl N-methylanthranilate	C9H11NO2	166.0851	165.078979	Methyl N-methylanthranilate	1.98
methylguanidine	C2H7N3	74.0711	73.064	Methylguanidine	6.76
methylthioadenosine	C11H15N5O3S	298.0953	297.0896	5'-Methylthioadenosine	4.26
N1-acetylspermidine	C9H21N3O	188.1742	187.1685	N1-Acetylspermidine	9.78
N1-methyl-2-pyridone-5-carboxamide	C7H8N2O2	153.0649	152.0586	N1-Methyl-2-pyridone-5-carboxamide	4.3
N4-acetylcytidine	C11H15N3O6	286.1022	285.0961	N4-Acetylcytidine	4.31
N6,N6,N6-trimethyllysine	C9H20N2O2	189.1581	188.1525	N-6-Trimethyllysine	11.25
N6-methyllysine	C7H16N2O2	161.1274	160.1212	N(6)-Methyllysine	9.71
N-acetylaspartate	C6H9NO5	176.0539	175.0481	N-Acetylaspartic acid	4.66
N-acetylhistamine	C7H11N3O	154.0965	153.0902	N-Acetylhistamine	7.72
N-acetylleucine	C8H15NO3	174.1113	173.1052	N-Acetylleucine	2.76
N-acetylornithine	C7H14N2O3	175.1063	174.1004	N-Acetylornithine	8.41
N-acetylputrescine	C6H14N2O	131.1176	130.1106	N-Acetylputrescine	7.9
N-alpha-acetylarginine	C8H16N4O3	217.1277	216.1222	N-Acetylarginine	8.19
N-carbamoyl-beta-alanine	C4H8N2O3	133.0603	132.0535	Ureidopropionic acid	4.1
niacinamide	C6H6N2O	123.0553	122.048	Niacinamide	3.81
N-lauroylglycine	C14H27NO3	258.2054	257.199094	N-Lauroylglycine	2.4
N-methylproline	C6H11NO2	130.0859	129.078979	N-Methyl-proline	8.62
NMMA	C7H16N4O2	189.133	188.1273	Targinine	9.43
ornithine	C5H12N2O2	133.0967	132.0899	Ornithine	9.28
pantothenate	C9H17NO5	220.1163	219.1107	Pantothenic acid	3.1
pantothenol	C9H19NO4	206.137	205.1314	Pantothenol	3.83
phenylalanine	C9H11NO2	166.0851	165.079	Phenylalanine	6.71
phosphocholine	C5H14NO4P	184.0718	183.066	Choline phosphate	11.18
pipecolate	C6H11NO2	130.0859	129.079	Pipecolic acid	7.98
pro-gly	C7H12N2O3	173.0907	172.084793	Pro-Gly	8.5
proline	C5H9NO2	116.0706	115.0633	Proline	8.1
proline-betaine	C7H13NO2	144.1011	143.0946	Proline betaine	9.23
putrescine	C4H12N2	89.1071	88.1	Putrescine	9.35
pyridoxamine	C8H12N2O2	169.0959	168.0899	Pyridoxamine	9.08
S-adenosylmethionine	C15H23N6O5S	399.1423	399.1451	S-Adenosylmethionine	10.18
SDMA	C8H18N4O2	203.1486	202.143	Symmetric dimethyl-arginine	9.65
serine	C3H7NO3	106.0498	105.0426	Serine	7.68
serotonin	C10H12N2O	177.1008	176.095	Serotonin	6.23
S-methyl-L-cysteine-S-oxide	C4H9NO3S	152.0316	151.030316	S-Methylcysteine S-oxide	8.55
taurine	C2H7NO3S	126.0218	125.0147	Taurine	6.14
thiamine	C12H17N4OS	265.1105	265.1123	Thiamine	9.68
threonine	C4H9NO3	120.0656	119.0582	Threonine	7.64
thymidine	C10H14N2O5	243.0965	242.0903	Thymidine	3.12
trigonelline	C7H7NO2	138.0544	137.0477	Trigonelline	8.91
trimethylamine-N-oxide	C3H9NO	76.0755	75.0684	Trimethylamine N-oxide	8.13
tryptophan	C11H12N2O2	205.0954	204.0899	Tryptophan	6.5
tyrosine	C9H11NO3	182.0797	181.0739	Tyrosine	6.82
urate	C5H4N4O3	169.0344	168.0283	Uric acid	4.31
urocanate	C6H6N2O2	139.0495	138.0429	Urocanic acid	4.56
valine	C5H11NO2	118.0862	117.079	Valine	7.41
warfarin	C19H16O4	309.1108	308.1049	Warfarin	1.72
xanthine	C5H4N4O2	153.0397	152.0334	Xanthine	3.72
C14:0 LPC	C22H46NO7P	468.3065	467.3012	LPC(14:0)	7.84
C16:1 LPC	C24H48NO7P	494.3223	493.3168	LPC(16:1)	7.76
C16:0 LPC	C24H50NO7P	496.3379	495.3325	LPC(0:0/16:0)	7.71
C18:3 LPC	C26H48NO7P	518.3199	517.3168	LPC(18:3)	7.71
C18:2 LPC	C26H50NO7P	520.3381	519.3325	LPC(0:0/18:2)	7.69
C18:1 LPC	C26H52NO7P	522.3539	521.3481	LPC(18:1)	7.64
C18:0 LPC	C26H54NO7P	524.3694	523.3638	LPC(18:0)	7.59
C20:4 LPC	C28H50NO7P	544.3383	543.3325	LPC(20:4)	7.62
C20:3 LPC	C28H52NO7P	546.3517	545.3481	LPC(20:3)	7.44
C20:1 LPC	C28H56NO7P	550.3854	549.3794	LPC(20:1)	7.51
C22:6 LPC	C30H50NO7P	568.3366	567.3325	LPC(22:6)	7.45
C22:5 LPC	C30H52NO7P	570.3527	569.3481	LPC(22:5)	7.46
C22:4 LPC	C30H54NO7P	572.3677	571.3638	LPC(22:4)	7.41
C24:0 LPC	C32H66NO7P	608.4624	607.4577	LPC(24:0)	7.26
C16:1 LPC plasmalogen	C24H50NO6P	480.3428	479.3376	LPC(P-16:0)/LPC(O-16:1)	7.51
C18:1 LPC plasmalogen A	C26H54NO6P	508.3744	507.3689	LPC(P-18:0)/LPC(O-18:1)_hp_a	7.74
C18:1 LPC plasmalogen B	C26H54NO6P	508.3742	507.3689	LPC(P-18:0)/LPC(O-18:1)_hp_b	7.41
C16:0 LPE	C21H44NO7P	454.2908	453.2855	LPE(16:0)	6.27
C18:2 LPE	C23H44NO7P	478.2915	477.2855	LPE(18:2)	6.2
C18:1 LPE	C23H46NO7P	480.3068	479.3012	LPE(18:1)	6.23
C18:0 LPE A	C23H48NO7P	482.3221	481.3168	LPE(18:0)_hp_a	6.2
C18:0 LPE B	C23H48NO7P	482.3214	481.3168	LPE(18:0)_hp_b	7.79
C20:4 LPE	C25H44NO7P	502.2909	501.2855	LPE(20:4)	6.12
C20:0 LPE	C25H52NO7P	510.3534	509.3481	LPE(20:0)	7.65
C22:6 LPE	C27H44NO7P	526.2911	525.2855	LPE(22:6)	6.1
C30:0 PC	C38H76NO8P	706.5319	705.5309	PC(30:0)	6.63
C32:2 PC	C40H76NO8P	730.5323	729.5309	PC(32:2)	6.6
C34:4 PC	C42H76NO8P	754.5306	753.5309	PC(34:4)	6.53
C34:3 PC	C42H78NO8P	756.5453	755.5465	PC(34:3)	6.58
C36:2 PC	C44H84NO8P	786.5923	785.5935	PC(36:2)	6.52
C34:3 PC plasmalogen	C42H80NO7P	742.5687	741.5672	PC(P-34:2)/PC(O-34:3)	6.52
C36:5 PC plasmalogen	C44H80NO7P	766.5664	765.5672	PC(P-36:4)/PC(O-36:5)	6.43
C36:3 PE plasmalogen	C41H78NO7P	728.553	727.5516	PE(P-36:2)/PE(O-36:3)	5.42
C38:7 PC plasmalogen	C46H80NO7P	790.5671	789.5672	PC(P-38:6)/PC(O-38:7)	6.4
C34:2 PE	C39H74NO8P	716.5165	715.5152	PE(34:2)	5.49
C34:0 PE	C39H78NO8P	720.5479	719.5465	PE(34:0)	6.62
C36:4 PE	C41H74NO8P	740.5169	739.5152	PE(36:4)	5.43
C36:2 PE	C41H78NO8P	744.5481	743.5465	PE(36:2)	5.46
C38:6 PE	C43H74NO8P	764.5146	763.5152	PE(38:6)	5.41
C38:4 PE	C43H78NO8P	768.5458	767.5465	PE(38:4)	5.4
C40:6 PE	C45H78NO8P	792.5459	791.5465	PE(40:6)	5.37
C34:3 PE plasmalogen	C39H74NO7P	700.5212	699.5203	PE(P-34:2)/PE(O-34:3)	5.44
C34:2 PE plasmalogen	C39H76NO7P	702.5369	701.5359	PE(P-34:1)/PE(O-34:2)	5.44
C36:5 PE plasmalogen	C41H74NO7P	724.5216	723.5203	PE(P-36:4)/PE(O-36:5)	5.37
C38:7 PE plasmalogen	C43H74NO7P	748.5193	747.5203	PE(P-38:6)/PE(O-38:7)	5.35
C38:5 PE plasmalogen	C43H78NO7P	752.5507	751.5516	PE(P-38:4)/PE(O-38:5)	5.35
C40:7 PE plasmalogen	C45H78NO7P	776.5506	775.5516	PE(P-40:6)/PE(O-40:7)	5.32
C36:3 PS plasmalogen	C42H78NO9P	772.542	771.5414	PS(P-36:2)/PS(O-36:3)	6.62
C36:2 PS plasmalogen	C42H80NO9P	774.557	773.5571	PS(P-36:1)/PS(O-36:2)	6.63
C16:1 SM	C39H77N2O6P	701.5529	700.5519	SM(d18:1/16:1)	7.13
C16:0 SM	C39H79N2O6P	703.5687	702.5676	SM(d18:1/16:0)	7.12
C18:1 SM	C41H81N2O6P	729.5848	728.5832	SM(d18:1/18:1)	7.06
C18:0 SM	C41H83N2O6P	731.6002	730.5989	SM(d18:1/18:0)	7.06
C20:0 SM	C43H87N2O6P	759.6293	758.6302	SM(d18:1/20:0)	6.98
C22:0 SM	C45H91N2O6P	787.6609	786.6615	SM(d18:1/22:0)	6.93
sphingosine	C18H37NO2	300.2881	299.2824	Sphingosine	5.72
phytosphingosine	C18H39NO3	318.2985	317.293	Phytosphingosine	5.85
sphinganine	C18H39NO2	302.3037	301.2981	Sphinganine	5.75
C16:0 Ceramide (d18:1)	C34H67NO3	538.5179	537.5121	Cer(d18:1/16:0)	1.87
C24:1 ceramide (d18:1)	C42H83NO3	648.624	649.6373	Cer(d18:0/24:1)	1.81
C34:1 DAG	C37H70O5	612.5512	594.5223	DG(34:1)	1.59
METABOLITES_END
#END