#METABOLOMICS WORKBENCH efahy_20230425_000093 DATATRACK_ID:3990 STUDY_ID:ST002675 ANALYSIS_ID:AN004347 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 Liver Powder
ST:STUDY_TITLE                   	- 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=0299m_MoTrPAC_PASS1B_HP-PREFA01.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB01	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0299n_MoTrPAC_PASS1B_HP-PREFB01.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed01	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0299o_MoTrPAC_PASS1B_HP-Sed01-LIV.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed02	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0299p_MoTrPAC_PASS1B_HP-Sed02-LIV.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE01	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0299q_MoTrPAC_PASS1B_HP-IPE01-LIV.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE02	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0299r_MoTrPAC_PASS1B_HP-IPE02-LIV.raw
SUBJECT_SAMPLE_FACTORS           	BC49E4EF-E2FE-4269-BAF0-461F768BD95D	90217016807	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0300_MoTrPAC_PASS1B_HP-90217016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	0BD282C7-7832-4581-9089-08A32D557034	90218016807	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0301_MoTrPAC_PASS1B_HP-90218016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	955498F4-70A0-4D50-A2BA-619A8FED8FEF	90222016807	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0302_MoTrPAC_PASS1B_HP-90222016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	CFE06932-9314-4BCC-B2D9-73883D5FCDFB	90223016807	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0303_MoTrPAC_PASS1B_HP-90223016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	3719CB62-B551-49BE-94A0-E51DFE13D30D	90225016807	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0304_MoTrPAC_PASS1B_HP-90225016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	F65955CE-E49F-48C7-B861-02A2FDF6F9B8	90227016807	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0305_MoTrPAC_PASS1B_HP-90227016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	0559B193-BED3-4170-B045-10A2B6441CB6	90229016807	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0306_MoTrPAC_PASS1B_HP-90229016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	90CFE5A4-76FE-4458-A2B1-A66F0B60118E	90232016807	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0307_MoTrPAC_PASS1B_HP-90232016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	F0D83B29-8EFA-4CDE-B1AA-2358AC220ECF	90237016807	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0308_MoTrPAC_PASS1B_HP-90237016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	FCE9ABE6-B60B-4934-BAE5-56AF8B11ECEC	90239016807	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0309_MoTrPAC_PASS1B_HP-90239016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	1628FB23-6F66-47D4-8D82-63C87726F0FD	90245016807	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0310_MoTrPAC_PASS1B_HP-90245016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	69FD4884-786D-4F2A-97B1-6174FBD25D60	90248016807	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0311_MoTrPAC_PASS1B_HP-90248016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	0D5071F5-D166-4CF1-BE8B-EB4DF6E04C0E	90251016807	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0312_MoTrPAC_PASS1B_HP-90251016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	07AF7369-F082-4CA7-99D5-D973F4A162C9	90252016807	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0313_MoTrPAC_PASS1B_HP-90252016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	2479BEE5-2A38-4D09-B15B-B1715F561A9F	90254016807	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0314_MoTrPAC_PASS1B_HP-90254016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	0A4A7935-3AF4-463F-84E3-DCF07671509D	90258016807	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0315_MoTrPAC_PASS1B_HP-90258016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	04C84D7E-FC8C-422F-AE4B-CAFADB63407B	90259016807	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0316_MoTrPAC_PASS1B_HP-90259016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	F9BEE1FA-E2DB-4BE4-A79C-99D585D6FD17	90265016807	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0317_MoTrPAC_PASS1B_HP-90265016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	A77AC89A-1D9E-4516-9DA4-2BE99C8126EF	90266016807	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0318_MoTrPAC_PASS1B_HP-90266016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	2B969165-1A52-43AA-8FD9-39AFA62F094F	90267016807	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0319_MoTrPAC_PASS1B_HP-90267016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA02	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0319a_MoTrPAC_PASS1B_HP-PREFA02.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB02	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0319b_MoTrPAC_PASS1B_HP-PREFB02.raw
SUBJECT_SAMPLE_FACTORS           	22D700B9-EDD0-4BC8-8155-EB9C39417F81	90280016807	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0320_MoTrPAC_PASS1B_HP-90280016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	1CA4210C-3CE6-4A5A-996B-673EBDEB3B81	90281016807	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0321_MoTrPAC_PASS1B_HP-90281016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	9F3E1040-D409-421E-B635-2572DC20ED89	90283016807	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0322_MoTrPAC_PASS1B_HP-90283016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	569A9229-04E8-414A-A195-FE9E8F1B66AB	90289016807	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0323_MoTrPAC_PASS1B_HP-90289016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	E4271AF1-899A-4A65-9D8D-BF18CEE3F1CF	90292016807	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0324_MoTrPAC_PASS1B_HP-90292016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	2E37478F-525F-4E5E-A882-EE75FD0CFB29	90406016807	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0325_MoTrPAC_PASS1B_HP-90406016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	A9CE3E3D-31A0-4443-8A7F-8FD831D79248	90410016807	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0326_MoTrPAC_PASS1B_HP-90410016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	3D5BC47C-BB3D-45A2-8DB8-D7ADCD51997C	90412016807	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0327_MoTrPAC_PASS1B_HP-90412016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	89D6F615-D17C-4EB9-88EB-A602940FF179	90416016807	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0328_MoTrPAC_PASS1B_HP-90416016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6	90420016807	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0329_MoTrPAC_PASS1B_HP-90420016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	6D680EA2-C62B-4A35-8B6E-2ED6A79CB017	90421016807	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0330_MoTrPAC_PASS1B_HP-90421016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	53F914B0-FD4F-4340-84A6-48341EAB3798	90422016807	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0331_MoTrPAC_PASS1B_HP-90422016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	D350D633-8D95-4783-99F2-BB8294D2EC32	90423016807	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0332_MoTrPAC_PASS1B_HP-90423016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	0DBFEB04-1B58-43CF-BAFD-9AA9915B67F6	90426016807	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0333_MoTrPAC_PASS1B_HP-90426016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	10E282EB-1DBA-406E-BD5D-81027083A01D	90430016807	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0334_MoTrPAC_PASS1B_HP-90430016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	4E974304-21EB-42E8-A729-A7FB6B406E64	90439016807	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0335_MoTrPAC_PASS1B_HP-90439016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	6527EC12-E7EB-4F17-BF0A-0AC7CD1819A0	90441016807	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0336_MoTrPAC_PASS1B_HP-90441016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	AEB1611A-F29E-43F8-B9F3-A2BC4F9EB504	90444016807	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0337_MoTrPAC_PASS1B_HP-90444016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	FDA87A8D-3634-4C42-9A1A-0EA03B58BB01	90449016807	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0338_MoTrPAC_PASS1B_HP-90449016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	CDCFA3F1-07ED-4737-A36D-15EFEC325AA5	90450016807	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0339_MoTrPAC_PASS1B_HP-90450016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA03	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0339a_MoTrPAC_PASS1B_HP-PREFA03.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB03	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0339b_MoTrPAC_PASS1B_HP-PREFB03.raw
SUBJECT_SAMPLE_FACTORS           	B73AB139-7210-4498-9CCF-E1DBE6EBA71C	90559016807	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0340_MoTrPAC_PASS1B_HP-90559016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	EA5C8932-9325-4DA5-96BB-50CD49CEDD10	90560016807	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0341_MoTrPAC_PASS1B_HP-90560016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	0645F621-878C-4C9B-84A6-58862BAA17D9	90564016807	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0342_MoTrPAC_PASS1B_HP-90564016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	68083256-8DAA-4185-B446-0CAF600474B5	90567016807	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0343_MoTrPAC_PASS1B_HP-90567016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	6A013AA1-4D1E-4B75-B691-6BA22D928E51	90571016807	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0344_MoTrPAC_PASS1B_HP-90571016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E	90576016807	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0345_MoTrPAC_PASS1B_HP-90576016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	DC8B35E8-4AA8-4829-8569-F223D069620C	90578016807	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0346_MoTrPAC_PASS1B_HP-90578016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	8904857C-2073-4BBA-AC7C-1EC239E5BFF7	90581016807	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0347_MoTrPAC_PASS1B_HP-90581016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	1F9BD644-303F-43E7-94BE-FF6654306F5E	90585016807	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0348_MoTrPAC_PASS1B_HP-90585016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	0409BED3-F9FE-4C06-9920-74F5E5CA04A3	90587016807	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0349_MoTrPAC_PASS1B_HP-90587016807-LIV.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed03	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0349a_MoTrPAC_PASS1B_HP-Sed03-LIV.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed04	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0349b_MoTrPAC_PASS1B_HP-Sed04-LIV.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE03	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0349c_MoTrPAC_PASS1B_HP-IPE03-LIV.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE04	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0349d_MoTrPAC_PASS1B_HP-IPE04-LIV.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA04	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0349e_MoTrPAC_PASS1B_HP-PREFA04.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB04	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0349f_MoTrPAC_PASS1B_HP-PREFB04.raw
#COLLECTION
CO:SAMPLE_TYPE                   	Liver
#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               	ST002675_AN004347_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	90217016807	90218016807	90222016807	90223016807	90225016807	90227016807	90229016807	90232016807	90237016807	90239016807	90245016807	90248016807	90251016807	90252016807	90254016807	90258016807	90259016807	90265016807	90266016807	90267016807	QC_PREFA02	QC_PREFB02	90280016807	90281016807	90283016807	90289016807	90292016807	90406016807	90410016807	90412016807	90416016807	90420016807	90421016807	90422016807	90423016807	90426016807	90430016807	90439016807	90441016807	90444016807	90449016807	90450016807	QC_PREFA03	QC_PREFB03	90559016807	90560016807	90564016807	90567016807	90571016807	90576016807	90578016807	90581016807	90585016807	90587016807	QC_Sed03	QC_Sed04	QC_IPE03	QC_IPE04	QC_PREFA04	QC_PREFB04
phenylalanine-d8	847190	868268	860523	873953	778242	795884	864888	869404	804377	875858	813434	768366	868849	874793	823436	825051	871307	836222	847621	866058	843112	816961	873621	804838	814301	835639	847190	893932	840639	796767	847719	863540	807420	816215	834029	799962	875830	822551	800411	782160	835225	832363	883548	792251	728624	761778	808444	729483	847190	849803	880733	881768	884063	794374	874902	803097	819858	871607	867048	779059	838662	839220	760225	761906	847190	832132
valine-d8	471595	479613	513537	506040	503645	495273	481345	482245	483502	508316	481349	493297	490596	506368	477639	475684	495359	501997	477002	473594	482379	468623	501165	446069	452233	494615	471595	472999	510561	464868	473055	479899	484307	468039	461563	458787	500812	459184	444411	441977	488791	482185	504335	459144	419550	430942	472195	436155	471595	466854	475933	488075	461479	418593	475642	424919	427887	474268	501870	438502	469965	469958	460717	460371	471595	461691
1-methyladenosine	44451	44653	33502	32324	68934	71855	37274	40494	48151	37175	47009	48174	38403	33396	41958	40708	54919	33646	53739	41085	54087	44919	35501	27201	50992	43724	44451	43054	32588	38359	43444	34072	45112	47595	42704	30228	39757	49566	47633	42290	42872	46703	43752	50381	42449	51211	53016	43422	44451	42959	48887	40723	47328	54370	45890	51933	48573	43933	41931	51676	30737	31187	66325	69543	44451	41353
1-methylhistamine	560	547	270	294	606	588	387	393	842	391	677	1017	417	410	687	559	551	669	275	427	1485	387	469	505	533	227	560	527	1002	613	432	448	864	310	402	391	353	556	638	911	661	739	533	782	678	480	575	674	560	578	445	216	532	787	229	255	381	572	504	693	274	212	624	564	560	561
1-methylnicotinamide	1299023	1320038	1508252	1517338	2429504	2452203	1289601	1372978	1624723	1624716	2025334	2256217	1039783	1114168	1293222	1566826	981714	724999	1234031	1073585	1745606	1572362	1725774	1022313	841250	1314836	1299023	1268897	1144334	1696307	890062	1178820	1830010	1331662	1017550	1200863	1498934	1479580	1559408	1461214	1532551	1779869	1326709	1244317	1484314	1401377	1270675	1395028	1299023	1283327	1251149	989286	819229	1286574	1182888	1399220	957149	933117	1133685	943429	1509859	1504288	2448056	2469033	1299023	1300820
21-deoxycortisol	12293	11312	47551	44696	103604	109355	1216	7286	4153	10789	15708	8681	13104	10959	12733	16451	12817	13714	7161	9431	11183	7943	5515	3503	2854	7054	12293	8476	10659	9885	7214	10920	35210	11429	5996	12680	11970	11397	22112	22160	22144	18099	35072	7574	14070	9619	27734	42028	12293	7103	17369	13773	14488	12180	17049	19254	6855	9380	11171	10490	27556	28976	77362	75927	12293	8006
2-aminoisobutyrate	6180124	6886486	2719840	2783022	3450818	3176762	3318606	3079345	3190947	3221764	3405385	2788010	4466967	2520214	2653878	3140400	15742791	7534585	11484468	14337868	11137184	6372958	3814850	2528525	10348023	3651574	6180124	6507408	3167317	2709182	4778404	3215349	3156157	5560651	7837898	3381649	5822554	6061337	3509024	3422132	3111867	3604246	3648430	4952254	1785120	5453154	3183850	3222592	6180124	5643840	9325809	7141096	12261239	12062759	8849311	13972278	7834534	11711465	8673465	15490686	2260049	2320278	2950115	2653895	6180124	5603957
2'-deoxyadenosine	407605	427518	389871	388291	598542	623266	373876	262210	141486	265245	248699	389179	404318	290816	322830	319387	367221	177188	269049	522001	306674	152004	177015	345366	614239	224857	407605	374159	432199	376881	584554	393744	431023	239898	190654	107135	267944	239068	445599	328190	620631	562806	441318	725864	332365	349052	537642	650306	407605	454822	593504	696881	457865	572518	331734	836751	495081	553578	434082	490105	403649	408032	642665	640364	407605	447641
2'-deoxycytidine	832129	808306	694583	694464	794731	791528	738573	713652	822264	760469	765655	893306	756372	670353	949558	847191	830762	528382	703928	756171	830011	759433	713569	513945	784635	534497	832129	813581	732021	864906	892091	818005	1020725	690449	649982	531459	614537	701346	992991	1010036	1086574	970787	955454	1059107	1074757	974686	966710	1038183	832129	834068	752791	799065	763041	726163	758057	851893	697848	734430	725437	844608	688198	685243	808669	809357	832129	790845
2-deoxyuridine	3017	3195	1348	1231	2632	2090	1585	2418	4061	4070	3819	4256	2688	2292	4218	1701	2859	1607	2433	2876	3715	2301	2682	555	3094	1827	3017	2958	2568	3221	3217	2412	4097	3364	1342	1509	2376	2504	3514	3063	6011	3365	3553	4871	5292	5410	4153	4532	3017	3208	2199	2314	3368	3978	3608	2972	2533	2905	2388	3895	1471	1486	5109	4653	3017	3270
2'-O-methyladenosine	1823	1981	1956	1842	5252	5000	1787	1634	2283	987	1873	2651	1727	1067	472	801	1428	1149	1562	1789	1403	1807	929	1449	1490	1637	1823	1565	1271	1140	1895	782	1509	1088	1553	1038	1588	1602	1669	1338	1502	1262	1472	1700	2206	2210	1643	1766	1823	2058	2114	1797	1916	2917	1797	2371	2432	2045	1905	1787	1433	1445	3475	3662	1823	1651
3-methylhistidine	249122	243332	294637	288563	428494	431562	275133	292759	299362	316072	310433	322091	270855	214647	307182	298096	217797	154856	213634	212937	227060	182309	164947	133621	199929	137617	249122	245831	283240	286933	341237	253584	334305	177234	162000	133094	167497	162726	298775	397742	331208	306326	290223	345780	321041	324728	273519	320434	249122	251253	189036	184872	252511	192803	182038	200744	173590	184189	174846	250275	298955	293575	463667	458567	249122	251591
4-guanidinobutanoate	1105271	1072355	3081522	3127075	3888276	3905740	836184	928914	989175	1662851	2202129	1535708	737354	334391	1035768	900989	1608942	815248	1003617	1004128	1459250	1660274	2188086	1675298	1238252	2557445	1105271	1110703	464703	670903	260090	1015428	980001	1923923	895932	1310978	902826	1254166	740151	606801	1314588	1211122	956182	680855	1010387	893832	1034792	898957	1105271	1078761	820220	1044865	689257	1622705	930731	1061259	1317949	891550	1144812	1228123	3108821	3148912	4196194	4216163	1105271	1116065
4-pyridoxate	1606748	1590435	2917796	2974651	3360650	3308489	3085339	782216	1348750	624724	795896	1735976	795041	1142560	1135111	930792	1750602	1004916	1855865	2680991	1730523	2682506	2299703	3676048	2113344	1420681	1606748	1569582	962240	884920	1239824	1183115	1052736	1255944	1901558	1727547	1672925	2502569	1251494	1126066	1627223	1267502	879709	1185252	1547206	1267498	1236622	1327260	1606748	1651426	1853638	1682433	1681113	1885680	1178430	3250880	2548713	1221880	1561888	1914519	2957764	2749424	3358300	3391013	1606748	1562838
5-hydroxytryptophol	nan	305	3169	3782	5097	6583	577	17641	13354	11789	6183	14869	6175	37829	23997	19612	4902	14986	5328	12536	16589	12439	26886	13444	23022	23303	22414	23475	42244	37899	37650	19191	47657	18107	17136	23670	32492	25968	29663	35382	38095	40700	31838	31602	29388	34658	36780	53400	22414	20249	29119	20419	23446	27148	26378	24567	19455	25861	23714	36745	46783	46922	51613	46062	22414	23547
5-methylcytidine	228744	227980	198447	205178	227351	240811	194547	198434	201717	200914	211828	259734	194252	185405	231559	206792	219761	160451	205848	223802	217194	219865	189313	160777	228919	158606	228744	215558	194615	213176	219040	209205	246091	195815	194569	163382	192167	223047	263795	265135	278875	249274	256928	286304	267451	241295	262309	270976	228744	250781	223606	233490	253443	242151	200580	266630	219461	192506	205823	246213	209719	202627	251031	238447	228744	218369
5-methylcytosine	100625	96087	36185	36288	68920	67158	37669	52363	75465	79443	81852	100730	34665	27419	66146	64244	161404	56459	147940	119523	170150	170544	131071	79914	153086	81139	100625	93619	82603	79706	61494	69328	93971	87248	95796	73573	100894	150478	79403	59280	82890	68515	66342	67770	94692	61570	85227	60356	100625	103815	118885	136618	139051	137210	114547	168309	122666	106199	93503	154847	43399	42675	86257	88002	100625	97408
7-methylguanine	24550	22510	14943	14502	28963	26791	13544	12896	21202	12738	13085	20433	14427	10157	24611	19248	36091	14629	24655	23385	31676	25673	19318	15571	31049	24715	24550	24627	17806	18456	22867	17224	28112	23040	19410	15213	21501	24031	26296	31881	31199	28297	22558	29093	28899	33229	28871	29435	24550	26057	23289	23786	30149	44996	27734	33529	26668	34563	24819	33484	19800	20021	38121	36158	24550	25694
acetylcholine	12321	11656	2589	2997	6741	7607	7153	16118	20949	7835	10053	13585	10769	10196	7789	7004	13380	6950	9399	10733	6968	6531	6283	5251	14690	9025	12321	13700	8290	8537	8652	10050	9290	8098	10160	10528	6770	10783	14621	14370	71762	10755	19687	22293	11415	12349	16337	8894	12321	11501	9551	9379	13046	14109	11851	7591	11330	8997	9272	15887	2915	3272	8055	7686	12321	13368
acetylcysteine	1071556	958455	583510	588915	770305	797635	488731	515449	435265	673548	321156	556427	527845	565927	616517	410333	1397527	443830	557242	1160246	1163543	740211	1010953	845836	852530	502007	1071556	1090562	1315628	1756265	1364796	1635892	1353680	233377	618057	1035394	999083	874319	1037992	2032782	652446	989549	1701036	2017453	2257795	692327	1363584	1708096	1071556	1045548	1027187	1202266	1164329	1147759	908126	1522611	1736798	1099014	1273668	963571	635284	663771	904344	845744	1071556	1017580
acisoga	8311	7344	9676	9427	14374	14634	5628	4705	6103	4597	4978	4841	6489	5214	8852	6746	11682	6772	8386	10212	15265	7482	7252	5338	10314	6139	8311	8525	6368	5713	8525	6990	9101	9924	7825	7279	7967	8780	7303	8470	9194	6935	6592	7815	7097	9677	7890	8172	8311	8355	10148	9689	8831	13544	10854	10671	8412	10524	9460	11684	11994	11540	17833	18199	8311	7698
adenosine	7641273	7085786	10211292	9901974	10795265	10547337	8926423	5712264	9334874	5546063	4657211	8006121	8117278	4540682	4703902	4900756	6604297	4620675	6897558	13788899	6278264	6524900	5486596	5471166	8961525	4428306	7641273	7486111	4223435	6458968	5453167	3668970	5806696	4779734	5158777	5043496	7030633	7664211	8549592	11138227	7513157	8416903	5326525	11194930	13125903	7888496	5093275	9916516	7641273	7796571	5483537	5721207	9596448	12023400	6212090	9542461	7163866	7196076	7746250	11995851	13893302	13812850	17438667	17134677	7641273	7691223
ADMA	19667439	18929485	7839736	8151815	14684198	15997328	6658058	6582878	11167076	7371545	8669777	10343952	9012106	6246958	8123570	11774744	44673373	20414839	21201593	31323129	26701704	21028655	15253952	16729110	36672908	13016459	19667439	18483949	7582079	8793755	9533597	8162553	15442002	17756075	19813022	11542905	22179315	23507167	10291540	11491929	13296676	11912289	8983895	13308947	9330788	14545150	11009122	11263441	19667439	18962238	27966394	18924005	36626894	42944304	26947790	37986882	30307777	30754670	28741288	59387568	7604404	7309576	14688310	16065572	19667439	19522610
ala-ala	20751	20214	25697	24352	30410	31441	12546	11080	19960	11967	16919	17052	13544	12754	20049	21935	19157	15458	15211	14329	16891	20200	26418	20662	21187	19896	20751	19000	34400	29747	22564	31447	30320	11340	10213	8706	11876	12488	18638	13587	26348	26597	28596	19924	24098	23644	28136	25498	20751	19890	22629	27141	23147	21858	24469	23978	25888	22851	20332	19501	21699	22457	27551	28587	20751	19678
alanine	1710479	1746179	1208084	1225778	1585147	1571705	1566881	1612942	2198655	1421868	1660565	2419542	1699274	1233021	1167362	1190046	1949805	915316	1690903	1277214	2116395	2307063	1909959	1362976	1545680	1455193	1710479	1697646	1746065	1502003	1612711	1345892	1245758	1539705	1299094	1747210	1806224	1994966	1689612	1557101	1784904	1386519	1670423	1968031	1897472	1755738	2044979	1793964	1710479	1680834	2085975	1820754	1815830	1931455	1672321	1833880	1424829	1741237	1789295	1816910	1133346	1132284	1456701	1444750	1710479	1690949
allantoin	244665	253322	226248	229343	489162	484588	133510	266448	351649	212549	336930	436950	263011	203922	246061	225404	221222	166937	219657	180662	277035	286748	201123	142717	197329	181946	244665	241429	232440	270003	249267	173610	237732	218772	189320	230954	241149	251227	242834	279308	310034	263454	214654	311696	192126	218264	317850	285071	244665	241642	222728	281751	209449	226388	223390	244666	203361	218752	212088	245162	226989	216688	462225	452396	244665	249394
alloisoleucine	21993158	21285311	23566293	22840108	33405110	32822211	18363159	12662489	18878853	15818894	21418293	23020468	17078702	9627256	18511357	17690897	27160773	15581076	22028857	28569439	33452578	30709439	28415337	20427600	25813817	22702361	21993158	21615856	10786115	15533859	13347474	13877461	20713116	31850105	22779624	18665419	20171155	28540837	15389918	19583269	28313469	17954188	15306005	22051888	19265943	25917329	17835824	16565250	21993158	23447915	23665660	25363484	26821011	31781969	34700961	27399651	31635328	25785140	26469772	27229261	24018818	24071721	32550980	34451945	21993158	20035129
alpha-glycerophosphocholine	137292060	134440485	119584835	118133858	166965624	169463746	124266752	162142664	202017670	155458056	164049974	214661557	135023848	113165331	138309099	102540476	118937435	104243826	141143007	114994668	137861454	139087753	103597650	104443369	123581249	124934196	137292060	136349318	99844349	153714644	138389725	130779066	150171623	110717135	119867621	92407294	123951961	121945534	131756212	179810255	160379537	132396887	118650855	149221590	142414746	153985217	139104690	148164005	137292060	137612183	115442224	114810481	135303565	123836371	124479152	115675119	132006438	129117169	107134861	153886677	118160256	119266088	171888281	172834304	137292060	136692981
anserine	66216	63075	52770	51423	411735	412718	33154	31462	58367	53018	42651	43370	37706	25065	37323	35530	107055	62250	69696	104832	99575	86159	83242	59505	90854	70922	66216	63959	34021	26798	23355	14593	33393	106455	83426	90136	91307	79759	26047	32927	41954	33001	32923	27538	37998	34314	26990	30208	66216	68264	98214	93738	118997	83402	96171	107777	91195	128955	113538	128617	51736	51909	433716	438960	66216	66200
arachidoyl ethanolamide	5166	5082	10770	9340	13880	14336	9492	7576	11554	10217	9616	3409	9157	7274	1539	7038	4147	7107	1341	9735	3510	nan	5252	nan	nan	14270	5166	1885	10635	nan	9280	2730	11542	3487	1717	12739	12559	13972	2939	6170	9113	8659	6245	3504	6334	1966	13120	5001	5166	9360	6374	12556	1497	9672	8516	7157	1961	4896	4239	4356	11079	10222	17085	17525	5166	5680
arginine	1380610	1437293	729760	758202	937972	949209	728561	1235608	1253066	1216533	1178820	1933546	409677	1209308	1280820	1169180	1285857	902699	1389499	967184	1555841	1341829	1243245	1099825	1539795	1268914	1380610	1363208	1409151	1542548	1437502	993757	1675746	1236612	1302980	1250418	1440855	1450652	852876	1039603	1516373	1304015	1093193	1268890	1163847	1497009	1348149	1674315	1380610	1366729	1621514	1343366	1335744	1364351	1890147	1469268	1445840	1486363	1562994	1660345	609884	627804	898483	912495	1380610	1393604
asparagine	123786	122591	89927	90183	130682	130561	146398	144962	177946	99379	135905	208473	105893	106444	92660	89540	120020	71140	111524	108457	118033	138245	102925	95197	127070	106157	123786	122284	107984	111850	146536	101933	108521	96905	104067	81948	99347	148334	118016	138068	121596	110627	84166	173524	156337	133479	144733	137740	123786	123563	109643	129256	116758	155332	107171	146143	126992	127473	141417	137464	86846	85830	125432	126448	123786	123268
aspartate	364904	353170	231197	235168	244470	245945	214773	287432	326272	303019	390565	298921	587809	297922	536346	308042	503347	293627	274736	274097	324837	358424	305019	303613	549803	281869	364904	370074	298903	347932	419891	214886	319599	323749	285147	285202	264632	323307	305551	412593	394585	288841	324869	378893	319696	455489	407137	414747	364904	363140	327584	313771	553190	419986	413016	334891	339438	513860	386546	601000	221997	216935	237504	240144	364904	354426
beta-alanine	70795237	75273291	42834268	43065758	66615161	69910052	66032969	66162789	92739126	55445552	72073939	95730783	62495865	50048677	49022541	41542134	93014157	42795816	66631515	88756948	81752871	87071241	70325873	55714965	94506090	58459319	70795237	70343066	57638048	58374791	66242488	50414678	51646207	66278689	58330852	60331483	68314909	78804641	63311870	65347156	71077312	58039674	57280096	77634294	72316693	67689007	79844542	73628370	70795237	71511088	82012750	72343204	116974075	93697869	78435228	91976067	76439823	79662059	82569202	97645555	39927586	38780985	59544618	59300564	70795237	69604529
beta-guanidinopropionate	1178213	1170324	1005660	993492	1594161	1608063	658213	679011	1136123	738450	1299630	704908	717073	463127	751170	661374	1868734	899276	1345525	1473968	1785135	1625050	1274801	1161238	1492037	1230039	1178213	1174502	761129	641809	534622	617061	616429	1848718	1754566	1186332	1663256	1865212	649352	768755	805353	716989	701637	826248	985088	1055094	694530	642678	1178213	1155594	1229366	1215366	1617894	1822962	1404918	1941829	1560900	1713313	1899680	2537813	976302	1001385	1659923	1643686	1178213	1145330
betaine	96668211	97636113	84524649	85548695	95195312	95761623	101675231	91619647	88859733	96271771	95652526	86604109	85196593	82479783	89229342	94445654	104449533	91226768	100027282	99864008	104469812	105540188	101633659	86706607	97000906	94553002	96668211	96347568	82105567	91000114	90440962	92372986	99257358	90379346	94967820	90400576	92353954	100356395	88224242	92068039	98979169	96139960	81787500	105976248	104363115	104530082	93758015	96816716	96668211	96804331	92416667	105466822	101549252	106795690	97236700	95716046	105074281	103146754	99995160	103060770	83240161	82997553	94511050	94410563	96668211	97062843
biliverdin	2013324	2708089	2055443	2367323	4435913	5211224	3650196	8609870	7675995	6524178	4352012	8412356	4333519	15091897	1082107	760525	513800	708223	473652	1148542	1020755	804455	1460508	835917	1312633	1217672	2013324	2219851	1326098	1423410	2534105	1108567	2382267	929525	1046376	1141530	2089346	2121686	1906765	2052849	2534266	2051394	1560609	1926978	2723140	1848613	2056610	2725708	2013324	2067677	2216164	1434835	1246733	1788947	1720919	2053402	893049	1952529	1908422	2293847	2189169	2214021	3490240	3336630	2013324	1944325
biopterin	149425	164382	73917	82778	108265	104813	145908	196136	257002	228517	150353	258829	180294	419402	142273	143457	77787	73129	76103	83591	115166	93974	123129	85826	108482	80982	149425	151069	150079	146918	176168	123030	249214	85632	92907	108909	146978	150826	160841	174407	211465	190968	192986	176039	210155	197822	196796	213808	149425	154037	127760	109898	117774	115143	113803	124511	101525	106793	110462	154245	165418	169963	206711	207319	149425	149455
butyrobetaine	2009515	1972849	1681472	1717412	4583597	4540187	1458653	1957588	2528939	1980292	2557767	2396603	2219498	1338015	1931947	1688258	2478500	1521843	1705585	1718975	2456206	1683969	1782151	1201298	2496237	1874246	2009515	1993528	1650993	2025110	2008061	1572851	2278387	2063625	1751631	1355536	1858530	1667436	1847094	2493443	2183089	1949581	1481690	2201919	1869739	2109326	1818723	1996436	2009515	1993472	1742998	1527466	2159712	2580264	2347574	2124538	2300334	2196439	1742037	2845334	1717845	1751543	4679509	4637598	2009515	2033037
N-acetylgalactosamine	635548	556555	450296	481369	735336	808497	951247	508436	672799	402260	467437	635995	774124	546451	405344	469596	580435	221147	421187	1266709	577097	374001	303438	353210	765021	256418	635548	540310	408737	396151	382649	380998	682865	402635	365167	349421	437619	439936	542522	614099	613513	447704	445005	524998	480227	526374	528913	572111	635548	557542	479022	648644	1120646	619081	405964	709735	656672	757737	580193	1111942	532382	515862	679640	680989	635548	552100
carnitine	62745031	62787936	50809182	51233351	66292573	66242114	57026837	48516734	53125849	53389909	52687743	53461544	58646738	46169442	51689496	50976565	75761742	52568879	64017157	68180762	77235034	63970026	67499943	57902870	67038549	55077272	62745031	62964374	46984543	44821856	52477902	49718271	61603498	66490619	63041529	61675371	70178314	69852057	54535862	56372487	60585778	59912119	66106518	62007043	70239199	74414158	54042697	58591588	62745031	61986624	65001788	67165455	71300668	74550402	65222889	79410234	66768223	75355766	68867079	75859058	50404606	51185882	66913709	67026421	62745031	62102748
C2 carnitine	83738457	84764888	88024872	88008738	126821079	126400046	53093231	58834651	76323469	83059153	93154328	70694246	77159091	57387600	96917192	93969435	91929802	69052971	81965148	70193854	106436706	72714221	78973192	67300527	79901121	71246635	83738457	82786233	68837276	80778606	70167806	75743062	101224501	86855480	77410894	67899389	79028875	74779349	83305994	96966320	95922698	95772725	93508866	87920460	91843187	91198419	88460843	88077884	83738457	84357895	68757474	84721717	83318162	94677143	83124694	87283457	78137110	85964393	86644428	98066512	86759894	85604976	123686829	122564809	83738457	82833326
C3 carnitine	4254021	4239824	4055710	3968311	7576927	7609613	4162099	2409649	2897540	3432019	3205330	3167789	2080701	2083932	4690894	4069529	5870495	3521305	3871869	4287538	4713707	3457905	4548417	5368746	4822537	4240338	4254021	4246657	3047619	3983006	3825508	2207232	3626546	4077179	4086948	4096043	4384299	4580268	4333428	3821896	4120198	3777015	3363959	3628671	5060264	4370038	3329784	4068298	4254021	4282007	4475079	3789363	5253701	6006836	3802917	6018574	4643931	5602589	5006900	7103854	3845672	3863843	7385074	7444686	4254021	4231741
C3-DC carnitine	59788	58677	29475	29478	53467	52371	44515	28475	51467	37920	41440	32420	47987	30580	50289	43570	108190	42446	61896	55131	87791	55271	48834	54707	86410	46470	59788	60250	38613	31569	47637	39970	63050	74905	73386	47282	61996	68524	42135	61678	55690	45551	61713	70426	79545	89930	59967	66912	59788	61014	57854	63787	74745	84794	74568	69940	86114	87822	71774	83969	28836	28782	50939	50003	59788	59374
C3-DC-CH3 carnitine	20252	21265	17091	16720	25745	28017	96805	40043	72069	13036	38515	29844	123154	56068	17001	16606	11249	4336	8779	6580	22188	30241	19064	14573	5643	8254	20252	19115	8443	6265	4181	7013	11848	10829	8372	14760	13069	21608	15212	14690	13591	12436	25992	7709	30886	21289	16872	12087	20252	20885	10800	9913	5420	7234	10569	9054	9899	9320	6704	6797	15518	15841	24987	25139	20252	19304
C4 carnitine	11556350	11132780	5581740	5536700	12528643	12673204	4335031	3521709	6518404	8007737	5785423	12983904	3929690	4640596	8588851	7270782	21495154	9315167	12219124	6948599	15565602	22302966	18655436	17274313	13676611	22284066	11556350	11260488	7879020	10531087	6882420	7447429	10711883	10326581	13530127	15217795	10723762	12731086	16777855	5448754	17782483	9250226	6536554	14830387	11141416	7869486	7019341	13915723	11556350	11712141	10947616	10966103	6568656	24257122	10362804	13221798	12613012	9072150	12115038	13057815	5621513	5589202	12616709	12786748	11556350	11375624
C4-OH carnitine	815367	819663	542979	534929	735709	746291	671327	419889	554475	377943	388945	375694	636733	418097	416781	375734	1221889	802867	1486328	1456352	1339857	706550	567922	576992	1087881	604556	815367	825395	370547	306028	807583	477500	630260	774978	1049430	506899	848309	981379	603837	905937	556751	555665	466788	894565	570740	838284	517216	602733	815367	841247	1242130	1017934	1675461	1354193	1149385	1473016	1192632	1681838	1287013	1382131	522413	533313	748560	751056	815367	830192
C5 carnitine	1079539	1067130	619161	623308	2089244	2078385	671941	512573	871701	645588	522810	955618	654210	536844	649520	597961	2495389	742983	1134318	1057862	1845045	1241988	1147864	1167652	1598367	1446943	1079539	1081876	690766	674573	890474	577073	724274	1034375	1110208	1284189	1273454	895459	1164679	674718	1259017	818995	648637	1450005	979205	928643	768639	1172407	1079539	1082466	1065598	1024006	1299624	2669917	1112461	1269881	1390013	1529079	1462952	2038493	635852	626944	2122729	2144780	1079539	1074207
C5-DC carnitine	252732	256716	242082	244430	348398	356721	204787	178976	306659	306927	330689	255184	243722	167509	373928	229311	241364	131374	167828	134070	499346	208226	312660	225777	201081	268278	252732	250208	187926	281743	227032	270207	402669	393795	223954	216117	247000	287077	266904	361920	367152	295100	455053	293939	400535	548294	317932	277490	252732	242939	132258	180039	142680	210339	226107	180760	176779	179955	251510	168193	200883	199131	315994	309502	252732	244041
C6 carnitine	148072	141581	134487	137045	252957	251121	73964	56271	67513	47931	24862	154993	40617	70438	21014	34994	369935	185539	217491	97465	218193	335103	467974	362780	160311	716908	148072	152617	145624	77265	92902	80790	84442	139879	178070	322150	110935	151758	263827	56603	220737	95544	42472	286308	91841	72912	75884	292540	148072	142812	121589	160962	58617	355994	93773	122773	178611	106538	165540	137252	144414	147660	273391	272511	148072	149956
C7 carnitine	161326	161248	59446	61605	184839	185242	88655	60398	113978	40210	43367	146360	78807	72330	23729	34806	423327	104303	193312	144182	282613	199787	188159	220171	241991	290284	161326	161920	82802	53260	94603	64847	88943	198919	184467	231007	184557	188034	182922	93163	179021	74981	59341	225756	102521	90856	88189	175334	161326	162561	137180	139350	132408	508387	196424	246183	229460	217638	277559	278466	58717	59328	187939	183502	161326	152219
C8 carnitine	247646	247389	208795	205394	559857	569448	165390	140262	161629	129370	100918	209610	161438	142331	71094	99010	416278	153986	246254	158290	312509	286076	271896	293957	265144	398192	247646	239023	160499	103491	187358	159516	196322	318981	229163	294075	252840	335377	359151	204057	366788	210286	162692	402004	348884	296868	214630	331137	247646	252808	198563	222934	177370	500781	289435	402518	264222	301472	347084	286255	211797	208922	586614	580706	247646	236617
C9 carnitine	4174	3996	3100	3520	7700	7225	1013	2756	1239	2217	528	1910	1224	518	558	nan	16196	nan	4198	6691	9167	5084	10776	9451	3009	15625	4174	8249	3691	nan	3260	5596	1246	8330	4420	7580	6278	8281	4352	1007	6710	3495	1111	7269	2443	6417	4220	7073	4174	5836	4903	6158	796	11691	473	9536	4227	5057	2138	3850	3156	3432	8244	9296	4174	2190
C10 carnitine	229132	227156	114074	118633	399982	410260	169552	141239	200296	124727	96902	132470	212851	148558	98435	86683	351684	158970	237815	150925	325731	205871	192041	224594	239144	229564	229132	229724	156417	93891	257419	155650	173707	258775	239570	189509	256859	288084	278317	241267	274758	194877	147504	397595	339754	371177	262146	267071	229132	235553	200917	282818	190869	412516	280991	287214	236557	358502	345633	272456	121714	118727	423945	414261	229132	234546
C12 carnitine	474093	470033	118564	117896	610382	606873	233935	301701	425795	238899	162125	150494	383559	305129	172039	138182	781579	493311	591440	252930	570059	277148	240764	361330	452579	318896	474093	479555	243109	148496	599749	319451	356631	589420	501468	315051	602856	581086	399522	632559	479770	327272	247574	761303	622693	865073	701875	601380	474093	475671	426405	803663	432118	860279	724410	544188	494218	1061618	740367	501762	119120	116254	624747	620263	474093	478068
C12:1 carnitine	197796	193651	54128	53301	249702	243502	61847	100323	155317	88736	61023	53946	140818	90729	70766	53029	367963	183317	245050	136581	295394	153080	153335	159288	235029	163844	197796	203427	88251	66227	209797	102751	130382	333221	224557	195878	288707	279978	144302	192203	178075	123752	101509	242653	221979	275981	236468	206150	197796	199597	204239	334087	211177	405975	351690	280498	238481	445754	359495	251962	51820	54285	251304	253873	197796	198462
C14 carnitine	1691338	1775133	471998	477215	2407780	2327544	781941	1041632	1464667	892184	618987	516172	1330599	1293388	639626	569122	2774455	1562188	2021271	920157	1850834	724474	628824	919898	1673459	888641	1691338	1713178	1013016	563311	2497802	1374955	1369551	1870609	1567110	811343	1636087	1670828	1671285	2480177	1714738	1170332	885849	3408816	2297605	3887642	2675268	2460319	1691338	1613794	1319439	2588355	1481854	2938256	2164879	1747429	1604805	4017737	2583726	1831565	448517	451114	2329835	2321565	1691338	1703216
C14:1 carnitine	951339	976614	217596	220834	1399838	1381103	361053	519699	773874	415671	237312	197333	678476	522886	295884	226549	1786382	936362	1232613	585464	1183972	411491	387610	533572	1119689	581845	951339	956940	423198	228449	1255409	543321	573644	1270674	994851	585510	1202395	1068675	696102	1201668	800556	556617	423609	1465004	1237553	1722699	1378559	1156915	951339	927787	885998	1740030	987363	2084254	1599298	1274465	1035224	2593589	1785320	1239916	215833	219675	1387817	1379483	951339	957385
C14:2 carnitine	311036	309576	87293	87948	528670	542480	117400	176606	253670	128088	68175	53390	246307	174816	100746	76171	589878	271428	313879	152070	364128	109395	115546	138738	321705	169754	311036	307444	150230	83828	510954	197658	198343	453535	306065	196146	389422	304099	251225	491559	286954	210405	155158	534457	454451	578893	550946	436322	311036	310641	286104	603002	270505	663558	544647	357507	339847	864563	587354	390650	91548	90315	559474	539447	311036	315391
C16 carnitine	3152530	3072681	848026	835423	2325939	2356106	1758814	2153086	1914885	1702787	1091317	800675	2416246	3616805	1565192	1710830	4966807	3736288	2921385	2598935	2958234	1092617	1138646	1678825	3733227	1536197	3152530	3238385	2591311	1213047	5173272	3285018	2679914	3443756	2865748	1818548	2801500	2326983	3536579	3897649	3019771	2403688	1855733	6524591	3239020	5219615	4225096	4612872	3152530	3031202	2609196	4304936	3319643	5773812	3483724	2991053	3394856	7404580	4589478	4163520	866978	877524	2244891	2275455	3152530	3164456
C16-OH carnitine	121447	116687	67348	67779	234883	235132	64818	138608	176528	168997	174645	94684	74857	66486	46188	46581	159998	84234	120132	103679	144505	55136	54545	67341	116259	57376	121447	121500	63759	78099	150515	75988	65725	113661	122831	63056	109570	128944	113526	149520	120965	88332	65165	234125	143190	202192	137452	138461	121447	123846	107793	163046	158119	167420	159905	144278	123489	232773	220826	180757	68588	68317	254902	239618	121447	122727
C18 carnitine	557567	575355	152537	156673	425577	403563	335342	515585	458843	246212	182269	168219	328942	310540	120827	130916	1043311	1208381	632625	864478	521918	191228	160958	322784	846852	287563	557567	560263	288180	199967	959922	414043	267180	598700	695816	307697	510376	479762	378284	782951	528083	302210	176202	1116638	333102	581491	659498	657128	557567	511606	522374	988975	1047336	985598	613923	544097	901917	1535679	836968	1199093	160881	149294	402135	430280	557567	554061
C18:1 carnitine	1193273	1252626	271407	265980	910644	913215	706507	1098276	953439	667368	322656	306291	799715	1354317	345701	319083	1888521	1619157	1283474	1160129	1064845	374612	394300	662693	1406584	695887	1193273	1183411	980039	410901	1950491	1100965	715728	1615774	1374795	714238	1180717	824917	1083680	1271859	1005749	713222	470147	2306908	1323955	1878119	1483554	1651490	1193273	1185109	1127340	1632571	1245164	2004237	1557225	1214525	1265442	3383580	2268183	1467044	257951	264806	864016	867631	1193273	1181007
C18:1-OH carnitine	144316	138059	79036	81713	337929	335458	83096	182436	184329	201790	165770	98440	82500	79171	52862	48672	206777	83865	127813	122332	170240	50963	58156	69529	132164	70325	144316	139195	66074	79767	161958	71368	70453	150978	137662	68697	127378	128154	124399	157140	126786	87591	68384	252432	205046	231837	144918	163389	144316	148022	126762	176617	188382	242685	210552	218851	143343	323407	301863	231598	79804	78406	347480	339903	144316	144502
C18:2 carnitine	719144	741006	215852	223714	765268	750209	343339	630799	493758	399309	193238	109454	558581	959017	267249	239968	1295738	830227	589955	456387	666858	169123	196974	297021	708820	362155	719144	724703	694726	304336	1296653	815867	524680	1204732	719230	397861	747085	431412	843736	940042	661514	521603	329735	1372486	995689	1300270	1023591	1115040	719144	716371	569041	1002297	688170	1471734	1026216	659414	659721	2048939	1404711	851067	198328	209354	680360	688413	719144	716150
C20 carnitine	155253	157963	48037	43895	116469	112535	130867	99131	140619	37327	38286	38744	75096	58299	28989	27319	270782	155855	178773	280261	130618	58164	34606	85253	238015	73051	155253	156221	60730	36513	254419	86004	74015	131031	159190	72433	118931	151127	100229	226270	150549	91152	41285	296643	101061	130656	185279	160705	155253	157403	155724	330762	402435	397703	184279	200555	319568	325313	224826	332178	43227	42641	110355	112054	155253	155508
C20:4 carnitine	207017	186989	103119	99430	237039	236869	93615	90194	89704	72731	30029	2764	182571	103599	35279	52994	414815	223143	59575	245843	139094	8570	11494	34722	185704	28403	207017	205359	103978	37752	431220	168785	128396	214273	181831	61840	130508	69672	214273	376555	241744	171999	111930	479744	220826	369461	321641	349100	207017	194239	138868	247122	358906	324865	230402	195326	287931	574143	242515	506416	107230	96978	247662	252177	207017	203082
C26 carnitine	43608	46327	12229	14171	17472	17473	29922	34138	31748	32694	31384	28467	35675	22634	27264	24327	44846	33143	31017	36932	62016	51491	48305	32093	56439	34845	43608	40814	32152	32826	38747	27152	37876	47845	34805	34296	47528	53419	41312	50276	47413	37994	37746	37322	54587	42272	44277	33608	43608	40534	42686	68422	64778	61185	64684	61388	63039	69129	60056	70972	11292	12720	18957	19264	43608	44999
carnosine	2307	2082	595	890	14777	15219	638	964	1990	1375	1088	1166	1304	1219	1613	2440	3726	2677	2711	4706	3937	3090	3100	2243	3195	2794	2307	2359	2391	1023	1375	273	1500	4032	3437	3528	4206	3036	778	904	1452	1251	940	829	1043	783	663	1221	2307	2239	3420	2786	3613	2375	3001	3207	3227	4721	3658	3726	1000	739	18417	18210	2307	2506
C-glycosyltryptophan	42472	39807	25647	26799	39900	39310	35940	30750	39393	34530	35184	40327	36977	28620	38139	32326	63350	28695	47780	50769	71953	39722	40435	29108	59517	32356	42472	43496	31109	36485	36578	30318	49707	51436	43860	32134	43513	48788	29853	44238	50981	34341	35587	48269	40240	43371	38324	40432	42472	39025	42129	41941	50314	43414	49917	54280	46598	55631	47566	58414	27581	27277	41253	38929	42472	43322
choline	16390937	16596287	6851952	6859449	11338482	11287406	14360199	15790877	21253387	11022388	12263971	20078839	16678552	13205559	5021423	6824011	22422316	14891016	18240326	24530994	12545740	17052975	9790396	12908577	26013755	12311466	16390937	16141379	9111960	9347936	16080346	9442296	9162683	10800953	17103844	10307660	13287665	14441500	9771024	11450710	12497366	11057570	4787152	19798305	11880192	10075637	12977546	12170069	16390937	16346567	19441057	16139214	28578155	23677571	18430510	21645544	23166471	21616084	16861041	26146826	6691480	6719315	11202258	11369277	16390937	16283069
citrulline	157747	163310	90381	88415	118121	117570	72506	108629	192491	136301	168487	165795	115895	125617	142896	190043	185820	102755	154776	149107	213140	128606	143947	122987	174375	128583	157747	157025	135125	155115	115733	111246	167510	180657	134421	156530	177868	158838	128286	139687	186784	175542	146011	125327	134562	175213	158504	135794	157747	153908	139534	148915	251106	177630	247607	130896	181242	202183	166461	276721	81057	76879	111077	108333	157747	151188
creatine	3138878	3122187	4053837	4010814	5792682	5789317	2048023	2712081	3660251	3082366	3757729	2474306	2507720	2734453	3720119	3398138	2319662	2083988	2754974	2344002	4482474	3297958	3784036	2656525	1970028	3652604	3138878	3108852	4347976	3437471	2782275	2740228	3630546	4361857	3538340	3496604	4771201	3899286	3158660	3867400	3313162	3633377	3800494	2691655	3465447	4370039	2977713	3567796	3138878	3099691	3116613	2480636	2346793	2474745	3165473	3129861	2416605	3273871	3512416	3218977	3919980	3919889	5926611	5936191	3138878	3111050
creatinine	465778	470711	458174	443044	746999	775874	356683	456943	581524	506951	513837	636862	510436	381333	496039	407933	435602	269900	412210	339722	515015	431832	388500	272607	389904	366941	465778	466322	409582	518489	511792	418184	581398	396766	364155	354725	397140	391133	509096	591815	552701	497774	409008	510343	503960	520122	528402	595864	465778	480199	394706	394106	448097	504668	441147	481478	407691	456975	432155	517535	445037	451819	786310	774863	465778	456981
cyclohexylamine	152109	150109	1074	1299	1230	1295	56137	44840	114354	45723	45720	65691	40800	46601	187391	455813	181767	160480	227806	111014	176403	304842	178145	371225	139553	113724	152109	146894	113998	207474	108149	121288	79827	197655	227266	136700	143448	98939	198732	140933	111918	140487	119311	129998	263899	127775	102586	127889	152109	157698	48971	54243	134700	45182	61183	58972	635284	56082	66325	56064	3805	4106	2445	2364	152109	154167
cytidine	737917	673530	391922	377164	720137	677025	522914	378876	643729	273609	388311	687250	309856	283335	408685	416810	1080655	461212	974882	1226605	855415	884997	638914	676917	1237448	576248	737917	697922	365715	426574	624172	376557	496918	763381	776465	452868	636699	926660	601922	697656	645569	590113	393296	884202	749824	717049	618523	646771	737917	767487	913021	703350	1085216	985112	815198	1402915	933789	856777	1041573	1093412	474214	462458	859759	867880	737917	742663
cytosine	1269427	1205040	1043717	1052120	1224951	1220695	1093891	1061440	1204669	1149757	1178030	1355717	1149355	980935	1359258	1293714	1184291	780162	1046639	1147716	1235840	1157505	1070077	779214	1196242	799970	1269427	1242391	1138059	1342997	1333724	1240872	1560261	1045723	1024800	832295	954208	1094906	1466015	1466969	1594697	1449443	1423574	1610361	1555425	1384293	1445414	1554708	1269427	1289613	1174774	1236046	1245532	1170095	1189459	1425065	1177362	1024407	1033691	1305957	1131528	1147067	1358750	1343055	1269427	1259168
dimethylglycine	842303	846512	618866	620149	918413	930039	706046	829715	957084	742475	812744	991035	520774	561371	532282	625122	888055	520351	1112259	764646	1031916	1280177	834003	544557	924703	821639	842303	828971	716790	654261	876735	713634	744765	760016	760968	637627	682930	1004715	650762	727866	824644	819815	602799	1128220	894037	981444	1032943	845612	842303	847015	902762	794145	1066967	1309013	889893	1113450	1010844	855533	1012553	1206326	613082	605711	910130	919999	842303	828763
DMGV	4854833	4724889	3671557	3704511	9400368	8977729	1187417	1505324	1635725	3009213	2405649	2307479	1776628	1496941	2640816	3735783	11394595	6245235	6542484	8385495	5304963	5135322	5216773	6641125	6671395	3943885	4854833	4694487	2400644	2952033	1746875	2885511	4053497	4993970	4633475	4388979	6031014	5783127	3632521	2287121	5303831	4386242	3960214	2722225	2685424	3226789	2902511	3011803	4854833	4829830	7761360	5341012	7187093	11496594	7352994	9799664	6483240	6261726	6537846	10560882	3830954	3809782	9620828	9455836	4854833	4797670
ectoine	21453	20412	46213	45988	75336	77280	13733	12684	13975	21670	21438	27509	15622	11363	23762	20705	14855	16417	12433	8369	14955	20233	27451	30226	13593	15425	21453	22598	7324	16263	12382	23928	26070	16151	13966	21068	15854	16370	21141	20110	29634	21285	27658	10775	26181	17191	24356	20814	21453	23200	25675	38688	19671	37159	41644	29705	39794	18463	33050	42985	51501	53855	84657	84183	21453	22168
GABA	2367297	2046826	4636184	4864416	3962102	3654307	4251873	2795133	2559940	1445233	2033986	2468017	3369427	2682781	2625348	3148722	2378790	2065279	2201851	3020224	1912205	3182559	3472097	3572191	3114315	2112141	2367297	2490856	2222336	1810957	2610034	1863748	1752332	1984610	2305827	2765724	1964315	3763056	2223286	2305247	1816881	2184244	1535968	1959154	2247333	1612835	2572864	1829666	2367297	2596991	3024079	2715329	2892872	1799933	2377608	1843419	2524136	1836912	2315873	1946318	3971675	3654021	3033495	3039804	2367297	2499286
glutamate	338250	331232	356104	357620	256708	252155	557967	409993	345743	260564	241673	238244	356120	490308	289909	272431	404090	517315	367846	477331	283526	372218	412950	466976	469693	450569	338250	338378	448253	299122	397677	289363	214816	363337	370645	421713	330903	348358	310066	289711	270739	265352	302613	312715	261592	256754	290641	274126	338250	328737	375653	345977	512546	324460	299327	250876	355051	396397	374839	490791	336732	336490	256807	261821	338250	325916
glutamine	18348357	17902426	17442795	17564442	10883979	11011500	20259509	19317851	18693516	19725857	20813114	20904820	22402024	17570602	21042715	19957203	17262648	13001387	14785887	15917660	16456717	16776140	14837841	13202834	15055528	12565529	18348357	18049865	17452129	19332665	21264827	19128969	25227605	16555652	13117256	12426284	16319934	17847495	20071291	23203520	21049190	20317793	22922122	24292563	20397332	23283411	21042255	23751161	18348357	18218721	14969778	17535427	9191694	14122801	13190739	17585364	15592217	13853132	12471864	11815257	17249273	17085371	10697026	10672809	18348357	18267615
glutathione reduced	7831295	7541555	8218463	8368263	8140092	8125437	8192271	8192564	9068784	8751430	9808401	9804327	6738545	4638599	12588064	10394674	9948223	4231809	8690292	7799148	10019627	8469468	9935630	6519032	11006064	10719871	7831295	8063521	6927502	11053974	9779951	10530504	10787660	10812526	4260629	6964528	6434931	8481410	11785385	12206311	11193544	11955567	14943976	17397924	13751091	13054496	9772732	10779892	7831295	7707298	5084595	2493295	3517481	5977909	4563765	4685295	7103966	3190728	6748597	4647922	14208966	14021445	14949557	15093433	7831295	7730806
glycine	290241	285363	235788	227909	212080	212334	284652	230326	319012	238359	267785	277834	258765	217703	255659	239977	342578	199867	267881	376048	311370	261312	261857	216118	355174	215136	290241	284521	183408	203899	270468	238659	294225	316645	277522	207265	291411	305669	267391	349030	298295	287258	286129	349823	333294	328345	265128	306733	290241	289590	269180	272065	391359	340751	323417	325902	318113	336418	322665	381145	216233	215899	197653	199830	290241	278387
glycocholate	8049027	7866912	2022003	2050858	1709932	1672586	18098244	2834402	21002366	1910674	5095249	5350021	10265560	3786960	5195102	1576747	13384646	13932425	15438259	7587772	10457927	14601659	15193409	8971238	5599775	11519038	8049027	7695447	584411	454838	992425	3009596	1760865	5705351	6505208	13169769	9362852	14858189	1397247	10083293	2144954	2412385	1944469	1647955	15902319	15875641	2302890	3661403	8049027	8049850	2876603	6006376	14415190	11897210	15315158	1003065	11295528	9291521	5123994	11810210	2104716	2091599	1773444	1722763	8049027	7913241
glycodeoxycholate/glycochenodeoxycholate	597001	607983	156071	153178	118535	119920	1146446	349548	3236826	133768	108977	380918	541732	536784	242811	203931	860862	422930	527944	417337	743043	525278	578092	480404	368934	793841	597001	585080	96562	100742	254992	272454	339466	497284	282461	402113	604263	612210	194589	1139567	613182	151712	346131	426309	942278	1111083	217692	546954	597001	588127	268267	249287	452616	1217307	2036599	179381	583185	988754	700445	601380	152312	148742	121926	117925	597001	594977
guanidinoacetate	12798	12772	9148	9012	13006	12629	11802	11077	14910	11671	12380	15493	16884	6699	25346	9121	17491	7311	8898	10127	13172	10579	10806	9549	16480	12773	12798	13260	8585	12982	13921	9218	12718	9923	6616	8730	7466	7459	14502	24478	16630	11789	18202	18337	18346	12043	11019	18109	12798	12880	10116	12016	18829	21089	13868	12445	14708	17008	11548	15361	9519	10032	15372	15109	12798	12444
guanidinosuccinate	36003	36794	42237	41000	35642	37565	33235	14021	13495	14233	14417	12353	25638	28411	30727	34586	43692	34703	47300	54645	35518	54915	43666	44866	47138	40610	36003	37015	29011	21266	34218	34466	33878	42854	42279	51191	52803	65754	28498	16969	23192	39066	31966	24958	21117	24716	33357	29455	36003	34159	53998	46587	42150	44160	37033	40747	43998	40096	38213	39363	42970	42021	31843	31526	36003	38375
guanosine	192398	180469	132773	133387	120684	112614	130556	121483	145801	97172	107013	164928	167583	141633	133036	157301	140198	131921	159456	210887	191596	193229	133033	123624	138228	125240	192398	180426	147861	133016	131234	109565	141572	113059	147629	157188	206360	218685	239077	234038	185669	182077	127134	203581	221432	185653	165635	214523	192398	192520	211812	283098	195204	228414	139807	243316	186728	256592	200092	212690	202384	201412	165968	156123	192398	191157
hippurate	31020	32500	20860	20629	27788	28461	15522	30755	29899	41449	26310	34724	40251	29753	37409	16027	24316	17120	19469	18526	64896	48398	46310	34747	71855	72033	31020	29098	23514	32925	20959	24004	37421	21836	31327	26725	25680	31677	27545	13083	9664	14362	25569	32834	32391	34182	41758	30074	31020	30512	16437	28813	10165	66326	22841	29769	26128	30417	22455	34427	22802	21057	34694	34224	31020	30768
histamine	1081838	1101546	745690	744161	1225634	1222121	775352	759790	1448051	850267	1171495	1716602	745516	1184643	1357969	732159	1305577	1760758	599719	1570169	3056363	966645	713323	995467	1220724	496318	1081838	1068140	1545478	978691	801028	883421	1009948	834422	1231426	948682	1006675	958336	1180966	1766933	712660	627858	836106	1147994	793766	950527	1240621	973753	1081838	1079499	792964	615376	855110	1008674	92257	731567	977147	939030	1103890	1520959	728799	730131	1202693	1188812	1081838	1064134
histidine	5302047	5360163	4998000	4952852	3650915	3656492	5692333	6035746	5806254	5474760	5973726	6891454	5520614	5129399	5607692	5824960	4522470	3296722	4940135	4579452	4491864	6146094	5344686	4001181	5134177	4500970	5302047	5266600	5061591	5652715	5534019	4882124	6501880	4625590	4049506	3917308	5372308	5419168	4643704	5327965	5583542	5804898	5014533	6542547	5850106	6227645	5308238	6450473	5302047	5378313	5512752	4869114	4566882	4291067	4712167	4736716	4555442	4390316	4472990	5177877	4467104	4456827	3524057	3522018	5302047	5304892
homoarginine	221414	223388	151035	155207	242028	252313	180570	244331	251705	272755	266333	305135	198502	132196	147860	128269	343270	115846	190528	155229	193851	169485	167402	151760	280987	164823	221414	220782	106243	190578	165052	135442	218155	186446	169369	137883	201780	147011	143189	182491	205791	205217	150075	209645	199311	157443	140994	158755	221414	225984	335164	202736	335905	469728	340145	399509	277474	319848	397157	398976	146968	145998	239363	236390	221414	226322
homocitrulline	20158	21313	40597	39269	64316	65984	11791	13870	16408	21938	16603	18505	12115	12801	15904	24088	21175	12958	23980	27758	17606	16632	15356	16396	24567	19713	20158	21944	17390	20756	16827	14954	21350	13296	15467	11223	14683	16138	19819	16323	20295	17292	16220	15175	16483	13579	21768	18383	20158	19464	21819	12999	34012	37048	20143	34082	20349	26712	28941	45421	39982	42362	72140	69865	20158	20658
hydroxyproline	71412	69774	52018	51816	100570	101065	70413	72087	107739	83458	88239	130241	82133	64012	80182	74668	73155	32139	41327	48052	61599	43301	49249	38765	57619	37310	71412	71625	79836	107060	93948	69113	84319	49617	38818	39495	46583	47470	95453	113930	110962	90093	70886	99371	95027	77070	90208	104962	71412	73086	55266	51063	67086	86351	57077	63437	54117	53217	63825	76810	53790	53555	105428	108155	71412	71448
hypotaurine	135544	135231	229354	232633	612955	615170	34025	109847	178824	131569	224263	163226	44597	52536	77991	74590	210413	62432	229825	222877	303459	181805	159959	93696	179029	261253	135544	134623	72024	133763	34681	73354	73186	195323	146675	93181	146806	107226	56961	47198	64809	107678	46866	82446	58635	54818	49685	45458	135544	134699	141866	41673	256550	230342	144871	328419	127704	235765	420957	318136	229537	228946	606537	608128	135544	133155
imidazole propionate	640079	639761	685525	691723	710858	704607	892920	490149	734290	614842	683509	904968	727939	619504	624349	550197	448991	208953	534405	967606	410025	555436	467204	483576	387300	372241	640079	628370	927958	1254229	582611	628726	862335	1229693	310605	432774	280448	333671	641440	1088240	576610	659853	720894	721777	922812	1308791	551273	885506	640079	637358	212504	250130	799893	458105	539096	416147	487363	416423	609572	594275	690438	676624	722559	706882	640079	635136
imidazoleacetate	48764	46456	30828	30543	38979	39492	50874	36536	49034	39202	47048	64490	49078	30991	62731	42776	50021	32424	43156	68944	46956	44884	43401	40020	46961	34790	48764	46816	35813	45236	38988	36802	58835	51231	34623	31388	38847	44211	52691	57137	60279	62901	52930	53127	52046	56296	45980	45627	48764	45577	33424	41987	48693	54771	39367	31468	50141	46829	43481	49782	32341	31107	41482	41364	48764	50734
inosine	4722596	4934083	8015970	8181217	4154543	4888078	9518345	5614551	5941485	4141458	5346550	8625172	5624194	3749806	2534984	2667481	1432507	1475898	4147183	4425910	3514316	5700984	4921949	3730425	1669101	3668096	4722596	5023636	2595209	4129241	4288885	2898539	1939570	2950645	2786933	3871288	3964080	6949192	6742033	5568592	3729839	4550520	2337146	5713407	6639591	6739276	3263151	4749904	4722596	5071959	5421482	5230460	2116363	4370894	2491019	8310682	3474869	4070706	3742514	2974820	7296772	7495645	4426812	4329353	4722596	4732847
isoleucine	295789584	295189481	234243234	233440038	373530725	381107132	331256278	250048548	386695192	227726807	349338614	479760227	236316497	219257991	213075392	191109682	323770246	167947596	337062393	319672762	349870385	371206978	238956847	211234370	404057269	251889393	295789584	286112879	225632310	221239421	261369287	213176672	266302950	273308821	265431901	189682789	258322977	365644982	256487590	294424801	273786088	274220145	209024917	363680413	331487136	324098489	313490814	263572825	295789584	306057379	284209776	288618556	372242056	376794760	285671113	410325525	346324882	320818489	350651949	411138806	207259412	205235795	345575951	332347504	295789584	283480728
kynurenate	12631	10807	10503	10181	12781	11142	4210	1320	19218	5329	1827	22816	1902	23749	2357	4012	10235	1358	2344	14045	62304	6570	1517	812	58273	1598	12631	11826	9686	1821	5716	7334	48220	3232	3195	2758	18330	1610	2344	3041	2516	15752	1786	2455	8753	1434	2991	28445	12631	12378	2635	10275	6968	24183	19981	3589	1477	7833	1891	25626	18352	19781	16143	15290	12631	11904
L-alpha-glutamyl-L-Lysine	10109	9442	5502	5651	9058	9258	7695	7615	8757	6151	7094	8202	9211	8462	9045	7472	15084	6967	9327	13050	11442	7811	7099	7769	14071	6149	10109	10132	6652	7188	9522	6602	10336	14363	10733	7736	10435	9209	8232	11993	10092	7819	7686	10003	8771	10825	8825	11262	10109	10622	11313	11489	13516	11846	12845	15077	11523	14343	12571	16579	6679	7117	12483	12408	10109	10871
leucine	474006971	471904803	368681583	373698286	566611531	564731167	511655560	392561559	584829039	361479996	546584737	706215257	358695225	332467440	362553756	326761246	559792570	296697616	555337315	526276182	583465428	629379726	423850113	373827732	646956655	409922167	474006971	473603262	375887221	381095352	418182542	364284451	452606433	465273640	455841908	322970377	434339331	609803798	413271247	462116325	439290198	431026710	337394769	554372697	531847992	491196874	486722639	403381955	474006971	473915625	456415489	461836733	534263087	596740321	460372434	646472395	547044634	503252224	534680670	636215526	354081717	359750366	543173901	544366793	474006971	460361693
linoleoyl ethanolamide	86157	83862	109905	101201	132760	143998	117866	99657	110973	116372	114879	78892	100182	91191	82439	72845	83433	94103	53743	104582	90697	46989	91657	47626	63488	140278	86157	88147	108340	61691	111511	85203	91753	67506	48408	117722	121440	124058	90877	85440	105502	91636	83690	73277	79371	70155	115275	65887	86157	80011	101277	131510	68463	87757	85856	102178	47655	78574	72341	94735	105147	104515	152275	143249	86157	84769
lysine	6137738	6091321	4271761	4188837	6914834	6808943	4201956	5072348	6242952	4921332	5624807	5739367	4876753	3881352	4399643	5420243	8058134	5102063	6675802	7363676	6515828	6045030	4604985	4470671	8437065	4898872	6137738	6038101	4289105	5157082	5365103	4243358	6260448	6236262	6264449	4475113	6207326	5876984	4751083	5591584	4969427	6078632	4352747	6089345	4848113	5431254	5671522	5029033	6137738	6134149	7999376	5908632	9255628	8716647	6717857	8329773	7316927	7716189	6718793	10974452	4162879	4138388	6939693	6969871	6137738	6261735
methionine	431674	432348	341695	339765	595966	592862	431119	403698	540911	432948	526323	611947	426484	335641	492887	391404	496973	227938	344747	432520	418385	422816	309991	254339	563212	292665	431674	417091	343718	415836	448274	366630	475366	343892	311794	266585	288853	425222	423517	442173	511665	499542	363353	616860	484510	444989	528388	459234	431674	437632	347847	393130	586797	525290	396404	480730	485115	457735	475810	644634	327266	321887	573506	576851	431674	416146
methionine sulfoxide	12446	12122	15147	14145	31122	31017	5911	15339	14352	17822	20230	17322	5900	6526	20403	16475	7115	5766	7517	6915	10338	11086	12225	7546	9157	9333	12446	14133	17230	27147	17033	18206	19267	11860	6487	6975	9209	9951	14704	18527	16499	18661	17328	16512	17632	18466	16666	18990	12446	11967	7987	8466	11002	6843	10809	9769	8924	11649	7283	11225	12925	12552	26903	29283	12446	11237
methyl N-methylanthranilate	1498941	1323591	1627195	1589910	1556471	1693772	1520664	2267037	1998338	2138319	1704951	1734900	1735466	3169570	1052373	913844	961628	770852	620593	1230500	1467616	721676	1298574	668513	1038414	1454247	1498941	1585073	2017304	1429197	1858168	928621	2001982	937734	744811	1405108	1842498	1499737	1277160	1255326	1920884	1739624	1981165	1239084	1604284	1473399	1582172	1860766	1498941	1663813	1439269	1128991	1026960	1307000	1269041	1309552	686671	1565986	1647111	1675985	2080488	1911624	2758640	2473229	1498941	1656809
methylguanidine	1675	1795	1689	1665	2975	3254	1005	1019	1355	1622	1570	2610	1118	822	1757	1385	1324	828	839	922	1248	1636	1879	1799	1209	1469	1675	1751	2556	3171	925	1986	1691	1282	1138	1412	1379	1496	1207	953	2336	1887	1158	966	1485	1060	1579	1530	1675	1814	2245	1973	1600	3526	1672	1780	2293	1537	1860	3469	1752	1803	3503	3063	1675	1753
methylimidazoleacetate	25293	24581	23599	25371	36568	37640	25167	25050	28382	33853	32071	66769	32929	18493	32087	20648	17672	16006	12471	12988	20106	25329	29652	24535	19085	23387	25293	26590	24799	31821	24341	32102	36200	26214	14427	20334	12814	25303	25294	28673	31959	42678	25043	28106	33585	40688	27868	33953	25293	20671	8825	12258	28899	29899	27101	16131	22244	26492	25607	49839	25573	23338	36541	40356	25293	27548
methylthioadenosine	1433341	1718830	2614842	3087969	5106700	6031181	3347185	3387770	2421961	2564071	2872393	2937448	2966917	5507209	686338	856666	886440	764639	746119	685325	1013799	946749	1355960	1238644	908302	1095338	1433341	1459341	1079143	998925	1220881	1072895	1222420	1448394	1353895	1298418	1735663	1635695	962923	1107330	1087264	1490174	834898	1072005	1084404	1077596	1192243	1100874	1433341	1479632	1534696	1615163	1221381	1165825	1243962	1669332	1236961	1565567	1862607	1263770	1810587	1846266	2982852	3077974	1433341	1483620
N1-acetylspermidine	204476	202541	134671	129832	205978	212157	185825	154576	220816	181785	188839	283367	200264	156331	193680	170888	274092	125911	206939	245397	267041	179690	181259	171926	303066	154640	204476	202711	142615	180953	195079	161508	221089	233225	189563	140240	176336	201346	192235	211024	231193	176236	170683	258832	211803	208698	207890	212198	204476	210062	194495	199354	215974	217826	232373	250962	209524	208089	222631	282409	130484	126487	208473	206699	204476	208139
N1-methyl-2-pyridone-5-carboxamide	39407	38936	40587	40068	70850	71874	20853	28111	29903	29780	28015	25694	29455	33139	34788	32376	49778	29283	51975	49195	63191	54373	43546	34933	57079	44516	39407	38251	25013	32312	32642	29050	38959	32865	40087	32161	44661	47764	32540	34421	31247	34900	31560	30359	31515	38529	27599	39664	39407	37950	46845	29479	44463	61663	44924	67908	44926	47631	54168	56823	38447	40971	71699	72452	39407	38398
N4-acetylcytidine	44349	42747	22971	23386	38252	40314	23513	39020	30131	41448	31435	34632	23527	19897	23403	20733	67989	47269	67513	60265	84344	67986	54968	41598	50345	47120	44349	43914	47622	31557	41410	33524	36992	37199	46930	47020	63989	55345	38015	30263	27804	25459	35113	27449	34045	28683	34311	30528	44349	47419	62852	65694	69214	72278	59612	81278	57144	62861	49883	72236	18102	18605	33209	32315	44349	42336
N6,N6,N6-trimethyllysine	761669	769565	674990	684238	1349717	1352774	532963	798587	967817	833870	828520	1017891	630827	961725	844113	845675	820933	501387	751279	618889	1049477	693926	644419	505752	680109	551057	761669	746182	753513	700353	725623	588009	915727	579927	577275	532842	678104	634886	818428	735273	900529	866097	694322	748087	791670	962580	795629	943573	761669	752032	681739	577454	702939	843361	717937	770028	687626	740864	630701	939895	642254	669895	1359367	1377835	761669	764557
N6,N6-dimethyllysine	4418	4128	4220	4021	9088	8927	4467	3242	5156	3193	4570	4791	3234	3671	4755	3905	5266	2695	3751	3192	5424	4556	3489	3000	5158	3192	4418	4130	3732	3662	4620	3216	4891	3965	3972	2473	2924	4293	4717	4985	4696	5059	3549	5039	5640	4963	4973	4737	4418	4104	3918	3831	4085	4770	4698	4943	4282	3937	4568	5079	3919	4297	9038	9759	4418	4290
N6-acetyllysine	314054	313356	342341	338599	524170	503556	339139	301716	360683	457411	418445	383450	317361	231893	349267	292107	314454	159281	235617	223976	272585	235966	241210	205246	315768	214073	314054	311909	247172	385244	357119	317347	386618	288800	228494	180998	225212	242413	322399	416749	386640	352090	318405	402375	389158	394244	392630	347056	314054	313939	230339	260922	286785	310501	277809	339696	296463	275314	284510	374862	320807	323689	502489	513010	314054	308415
N6-methyllysine	38476	38251	28886	27775	38188	40524	26419	16611	19386	19977	20670	21970	24843	16562	29830	27989	64554	28505	37865	57106	46317	42468	24455	32188	71407	26756	38476	37267	17628	19946	26579	18463	31451	56660	46256	26021	37706	40896	22835	22741	33701	30709	22821	34052	23920	29288	24373	25066	38476	39880	78119	49827	66980	77326	53581	81666	64267	47668	56011	93362	25887	25605	41142	40875	38476	38129
N-acetylaspartate	1883139	1876664	1141180	1172344	1451713	1486313	1558999	1944693	2055436	1447050	1256622	2021836	1377886	1293588	1528510	1130247	2045743	1361039	2196915	2458146	2577349	1231137	1373722	1162508	1936966	1290712	1883139	1908472	1424946	1496475	2261562	1836170	2178336	1756407	1778987	1100836	1981950	1945088	1685120	2597906	1736316	1699061	1837243	2119157	1757423	2443547	1748692	1744164	1883139	1938037	2232978	2297048	2465713	1704231	2439501	2759226	1664207	2985508	2172075	2599434	1114074	1094549	1364769	1324784	1883139	1733625
N-acetylglutamine	45398	43165	30826	32389	25107	25099	50710	49368	65194	46323	61495	54065	72929	48743	61560	48772	43953	23550	28047	18577	41967	25868	28243	20218	32411	20191	45398	45852	64067	67313	64359	57325	76039	33956	20350	27790	30163	31478	53750	80237	65939	69370	58967	69590	57676	56098	77248	69252	45398	44504	29015	34372	17055	35456	31889	24756	27664	23869	22442	30993	30263	30983	24795	23841	45398	45202
N-acetylhistamine	17006	16571	17653	17842	38154	40274	16567	14811	22213	20497	17932	27603	26038	24442	33811	28241	11116	7706	9808	20123	12306	8509	10831	9899	11553	9862	17006	18175	15153	31056	18926	19079	31432	12909	9725	7625	9570	10844	21748	18901	21562	28402	27661	18993	20008	18723	23247	27828	17006	15879	9090	6829	10698	17590	7608	8669	11662	10101	9981	16504	16392	17991	40407	40636	17006	16726
N-acetylhistidine	1601523	1496966	1161864	1075964	1171013	1172484	1621284	1510091	2143682	1427664	1834602	2088267	1766835	1144393	2307947	1697688	1613515	965125	1383874	1029372	1602938	1446245	1576442	1097712	1457818	1052459	1601523	1698347	1933348	2289779	1869392	1791338	2117812	1250185	863271	953639	1100994	1177642	1874145	2462372	2238823	1925163	1497208	2353143	1846688	1779029	2363789	2053058	1601523	1589901	1083409	1211156	1174515	1264907	1173092	1011487	1164774	1098304	895096	1382374	1230786	1227201	1373724	1372986	1601523	1599029
N-acetylleucine	59253	57685	21913	21956	36132	35974	44015	62194	59307	39621	45050	54268	62890	45287	42734	48834	56536	53930	96521	81654	56430	55146	102706	42001	39546	49710	59253	60290	92645	42299	66476	61986	38084	60784	41933	92979	44784	47588	119943	46826	58538	87261	52519	40403	99443	44825	54460	50633	59253	58237	53144	84335	44833	41725	41974	73769	44324	56792	44811	34930	21962	22147	33400	32799	59253	56367
N-acetylmethionine	310367	297576	428239	395677	550581	606954	447325	368759	502764	224219	386576	350498	767923	410151	231637	161690	244228	109525	124725	216337	372614	279314	231360	196839	280202	242158	310367	263208	198122	217463	257356	255592	206547	168572	125154	136632	106561	279602	385178	393675	328954	334120	239212	388373	538598	408773	416067	255747	310367	346523	327891	246511	246242	388587	307346	420313	341150	417617	486200	434814	530858	532431	751045	714973	310367	340950
N-acetylornithine	161455	162348	176954	177297	211200	214676	163220	182954	319886	227165	263987	376980	192269	135123	196734	175621	116089	71871	192621	125871	161366	197313	142216	91404	108882	126518	161455	160909	101991	172944	146946	148185	225851	121708	114503	90270	148913	144472	189809	227352	204843	188791	173859	185651	196690	219579	166286	219025	161455	166648	103562	105268	137850	111409	114045	112824	121546	96188	90213	144080	176939	175347	215622	222160	161455	165336
N-acetylputrescine	615040	528597	461956	438623	699304	667390	570984	367432	528183	493336	719558	611379	472428	377720	758648	704660	795342	542159	557176	573306	730843	542899	705559	562375	587011	518830	615040	732987	564913	597362	614485	637003	656534	618353	454854	517126	579804	565786	758874	677776	746366	830044	654957	737996	722631	610894	720378	629190	615040	558375	545362	631534	646441	618767	664257	560682	499423	554696	429035	699427	405817	384971	698995	723133	615040	612517
N-acetyltryptophan	36550	34850	13828	14611	36357	36321	31173	14092	28291	11437	10338	27232	16662	13361	13110	6237	101419	30128	44245	54911	41404	33169	35872	50363	85571	28135	36550	38830	20198	17909	27119	14696	12241	38621	46622	28758	28448	44570	22434	18488	23474	21777	18872	25568	34807	28114	19986	29018	36550	36256	49834	50518	66822	107713	60139	94807	77794	85427	59646	91849	14188	13950	34586	34957	36550	35747
N-alpha-acetylarginine	16000	15628	15084	15105	31271	30556	8801	7913	15887	9256	10353	11505	8145	7795	11156	10301	24811	10019	13432	13833	17502	11437	13539	18253	23712	13907	16000	14753	11762	11856	13146	11752	12570	15379	13396	9808	11671	11328	10818	14257	17771	15877	9236	15549	13280	11162	13256	9963	16000	15672	17193	12798	24313	29419	23248	23304	27115	29607	29080	43054	16271	16406	33902	35412	16000	16378
N-carbamoyl-beta-alanine	28427	29073	8912	8875	31499	30950	13520	16093	23534	17844	15637	26879	17355	16251	14593	11014	58171	23075	39096	48159	42677	23930	28522	33497	52363	22212	28427	28771	17441	16784	25811	16822	15967	37311	25658	27289	30883	27844	18731	17784	27718	22206	14754	21213	18035	20249	24511	24424	28427	28980	45316	35910	47700	36580	47865	49750	35513	39621	37087	42642	8144	7980	28232	27924	28427	27317
niacinamide	23138546	23123156	31542256	31217952	36036170	36152575	21038955	23246755	30059772	23424096	19676352	19973264	27907868	17902101	17984394	22073459	18357970	14545618	18528890	31120226	27637857	22909094	22687134	20549210	21369986	17104474	23138546	23231430	16410168	18817210	12785939	11399946	14425753	19425012	19269893	25643119	27705113	27842308	25164389	24337395	22702127	21345630	15863019	20961611	23635048	24796874	16158774	19885676	23138546	23548903	24076908	26169600	24501914	30949141	26173441	28497624	25227933	33088074	32133551	31153971	32058185	32207444	37904599	38469399	23138546	23362984
N-lauroylglycine	10824	10997	6938	6870	8778	8848	7160	7433	14350	9305	7863	5958	7518	6826	10272	11886	10006	32276	10751	10557	11511	9361	11028	8257	8979	25436	10824	11131	10374	9285	8495	9280	8116	9315	12109	22550	15676	11993	8637	8324	8999	10156	8068	7418	7501	8203	9561	8219	10824	10663	9167	9748	10653	9385	8420	9217	9362	10642	9431	9455	9220	9191	9036	9880	10824	10612
N-methylproline	15830	16191	12486	11662	19832	17722	19951	18686	18657	13099	15484	33121	18056	17353	10286	12625	7579	5596	9698	9530	6684	8832	9375	7675	9252	7211	15830	17751	11545	12624	7780	10272	8489	9477	9185	7201	11084	8611	22336	17246	13300	20938	16150	17911	19127	28715	20229	23296	15830	16889	17327	14226	35903	29633	27087	20450	24780	24806	9032	44612	13105	13159	18349	18020	15830	14485
NMMA	308130	297606	226354	228609	374310	371498	224717	283920	408982	349997	333846	404870	267525	232088	298452	339210	380264	217683	355761	354238	331659	303212	258722	259717	312521	235282	308130	302950	187092	277114	251721	273100	373670	244691	244189	184304	264310	274889	295908	272947	340943	364635	290302	327764	267640	324468	304176	311068	308130	315074	300682	224673	315391	396858	286058	352972	304827	274503	292678	396930	229227	236045	367952	373577	308130	312612
ornithine	444158	457276	348990	350962	582475	562515	651752	514790	704701	337099	562275	547098	507204	401617	373123	317850	441378	197320	432943	434410	371351	424691	295399	329604	734876	334643	444158	434059	306471	341292	483057	311843	372678	477467	413715	288407	359758	436084	324185	450545	392996	492902	326048	555997	461820	502831	322834	353856	444158	435997	496928	404558	828691	518097	574364	506300	536150	645601	590945	702385	330513	319040	517079	522749	444158	430733
oxypurinol	70099230	71191526	115002340	114691123	57809738	57271061	240130572	73027955	99968662	38507336	51015592	177339660	74248071	57800791	21128516	32322314	19213113	33373170	103137668	145820859	58636315	87771911	77585730	85152347	31491396	55650188	70099230	72637756	37644516	46207382	53461634	21297734	19919774	35069516	70777869	57192730	78377119	143264050	72276100	56827964	35458965	47124749	15561309	56190542	76232072	74614332	26531379	49534803	70099230	71584114	124856345	108199613	47908840	65235031	50610738	210124174	97337478	111676262	74163550	61848139	114098909	117289443	56365814	56697850	70099230	71281318
pantothenate	3546762	3366354	2825386	2780364	4291949	4221675	3420920	2842190	4247510	3374148	4038302	5398786	3572764	3431118	4255514	4705513	2870578	1367155	2948783	3466857	3300830	3265886	2368697	1912841	2966930	2411637	3546762	3563556	3015423	4130853	3773149	3554861	5192876	3002398	2008543	1662345	2328061	3152646	5569010	5329192	5043709	4420454	4541414	5781977	5656211	4690487	4740070	5625333	3546762	3476102	2590417	1976582	2665356	2910267	2646738	3207899	2638589	2188593	2235646	3099155	2611651	2564014	4562560	4514660	3546762	3528042
phenylacetylglutamine	41004	41288	54723	55101	15604	14298	38191	26033	50811	49762	29481	52923	93658	32246	46141	27386	43547	12072	55035	35340	59022	31933	23932	15118	13629	23081	41004	40298	48487	25062	102432	35226	32506	18952	31398	56710	30579	28777	43284	54339	36828	18708	30072	74800	24043	55553	49165	63135	41004	41249	51535	26519	22922	18857	35713	60751	27031	31836	22610	14965	66219	64466	19016	19295	41004	37444
phenylacetylglycine	71579	69660	59341	59366	34992	35175	68852	59268	87031	63131	34577	59431	91100	50632	66858	30959	100109	28300	123044	87964	181314	67007	65168	49642	45065	79345	71579	73070	56603	30276	143040	54714	42165	39066	97888	102163	68703	52654	50107	78296	45361	28879	51362	96970	39224	109989	52737	91715	71579	73451	93013	51500	93329	96723	95299	110817	63102	101610	73430	43372	57016	57761	34902	34431	71579	67558
phenylalanine	218071839	221606534	159635162	159159982	179875182	188581418	278284373	200441626	240653104	159988441	176225971	275287592	160968529	172360370	131242441	125988950	247800877	128215555	252159830	242643143	238163055	274867471	201287760	193616121	282322590	197578680	218071839	239997050	179015817	152131040	229244822	170848745	167698690	207318535	217701395	161028006	198204308	286889881	195733250	176845725	177664178	166924272	137064601	258262126	237333788	208206346	201733194	192286346	218071839	215779159	231358502	239189199	227627714	269722427	210192387	313315629	264833426	248096530	261306816	259751634	156490291	156950101	176223759	177771369	218071839	212622807
phosphocholine	3679302978	3701836891	5056648331	5119418586	8971972489	8970841868	3191596989	3221197267	3545337987	3715143672	4109162725	4730343927	1547852151	2649656894	3021704043	4305582287	6562880021	2569060195	2708541315	2976719080	5347730995	3884189581	4142817481	2891427782	3372725587	3976723999	3679302978	3647618512	2055043826	3565046584	1974689358	2727563713	3458640444	3591429554	2540897592	2179105935	3402535705	2557965535	3660367700	3151155243	5231126799	4683023336	2034634655	2845784366	3478453581	2256628768	2153016805	2926223702	3679302978	3701049796	2993909731	2339381917	3546332315	9637380065	4388407502	6114647746	3415870307	4335602842	4478533370	6209135126	4969716626	5033537585	9041160574	9169069571	3679302978	3610701239
pipecolate	63055	63010	97944	102620	189151	191833	58892	48434	57703	66818	64459	61901	65335	54604	58423	67868	68157	41511	58108	64305	65049	50439	50829	46802	59585	40138	63055	63171	65684	65317	67978	66959	88463	68676	49718	45481	61860	51917	69640	65156	70730	74902	66836	61208	70375	68068	67030	62550	63055	62972	58284	50642	89622	72485	62428	63826	53659	51634	59022	86084	97644	100114	184528	184597	63055	59449
pro-gly	5404	6178	5598	5484	5955	7959	3730	4085	4844	5105	5918	5071	4178	2868	4889	3507	6433	3725	5647	4595	6651	6376	5330	4726	4366	4559	5404	5323	3695	4425	4207	5101	5255	5296	4497	4332	5467	5485	5104	5535	5921	5548	6034	5370	5269	6794	5972	5891	5404	5992	5254	6721	4385	5717	5123	8253	5176	5795	5384	5068	5020	5448	6359	6274	5404	5284
proline	2761546	2781412	1495255	1498409	2839217	2871188	2592509	2292487	3455647	1576384	2146680	4132698	1558840	1607206	1092720	1173957	3963158	1785954	3207346	2821911	3338400	3792184	2620527	2541102	4070066	2752124	2761546	2721284	2038592	1779514	2700586	1616836	1613058	2386426	2659250	2413720	2755198	3648219	2106635	2136692	2562791	1832754	1190068	3566273	2921643	2392603	2589546	2295795	2761546	2758495	2945696	3159237	3869807	4789507	2961706	3971876	3661242	3631332	3923703	4309273	1424814	1441982	2784945	2810612	2761546	2726560
proline-betaine	12185584	12364196	10221077	10178794	15224975	15173035	16198751	10679958	10813909	13686204	13739103	12903357	10951003	8536416	10649827	12912144	10822347	6852261	9173161	8761875	14419153	13950116	13515537	7389438	10523632	10336047	12185584	12149640	10665904	17145213	8486724	11225926	15641573	10320556	9573424	8140865	6906076	12348950	11269846	11495726	15970705	14023863	9782839	18417163	16302572	16758303	14642850	14458152	12185584	12412990	9852345	13757733	12224372	14530402	11639414	8998908	14028175	11196488	12039489	10512980	9849875	9865021	15352865	15182439	12185584	12070887
pseudouridine	1296703	1356595	1196391	1169639	1946617	1973606	1339804	1109185	1433376	1167240	1322627	1725379	1115410	940367	1099245	870241	1510958	768629	1241052	1660523	1898618	1154943	1143173	816402	1417253	1055434	1296703	1232771	1028642	1116438	1284800	1006818	1467878	1529067	1127279	729156	1182123	1312035	1417686	1425420	1316323	1204269	1138219	1310735	1492229	1516259	1376218	1431647	1296703	1403489	1485744	1235535	1608329	1746762	1518066	1887802	1385300	1536006	1183460	1648292	1122741	1047573	1834881	1844331	1296703	1293812
pterin	24410	26717	16848	19159	30017	39641	28951	86357	69777	54848	31246	67316	25346	171432	20523	16538	7599	14535	14451	11007	26904	23501	27863	22201	3515	19194	24410	25484	39696	25590	22479	18657	36831	10444	22653	31657	36748	25108	18147	23554	24014	27506	23509	19065	24351	20208	22931	35462	24410	25432	22649	28794	10240	16871	17366	20041	22634	14831	14465	10247	32804	32509	48473	50893	24410	24451
putrescine	58037	56715	50347	48356	49225	48931	106145	54454	44925	63997	107159	81735	50680	46756	95874	77489	39364	37474	24798	44751	33708	34861	45265	25303	29312	20255	58037	58054	75234	72828	55705	72370	59668	42153	27183	27601	27814	27989	95213	85994	60605	84859	84545	88566	84065	53378	75354	68924	58037	56493	32779	50061	66999	33667	48186	55941	32244	45430	32895	42178	46946	46785	48584	47141	58037	55187
S-adenosylhomocysteine	263905	258561	246573	249365	475127	473936	291392	204020	277464	130950	153693	294225	179137	152073	132765	121137	292166	234906	444314	435876	243024	404390	207359	303650	437542	290215	263905	262395	206119	134971	255738	120185	152930	202743	369474	175605	226453	340561	165554	212401	166151	155821	119759	255346	212880	169683	187439	172487	263905	257682	295080	239335	326295	466945	282543	430733	452040	367088	401883	535894	244099	248158	494903	503984	263905	253277
S-adenosylmethionine	437247	439705	386107	383379	605205	622392	511040	409922	431285	325040	362304	399578	316912	375835	315157	423489	634005	343378	440516	385255	567219	463067	409705	432621	424744	372553	437247	429857	343235	309947	428814	333662	452601	524472	445447	341415	501966	483082	360496	454875	391846	387113	289899	515964	486644	497834	440632	429078	437247	420684	526027	536265	347194	468031	495666	594101	446596	502972	555833	376265	386217	385924	631085	619152	437247	428052
sarcosine	35998267	36592330	27495408	27324589	51774147	53843752	24443579	32546687	46421047	24727542	33829964	57765741	24263714	20699696	18273547	18558976	34265191	23051793	55158935	34348795	38530730	72894899	36407599	26672932	45312212	43791811	35998267	35676992	32375894	28463874	32072255	22258133	22166613	28804659	36259332	30777392	32145331	51564855	24815595	23488759	27640505	26363311	21333005	35540994	27364335	29409886	37831723	26723588	35998267	34820829	39542586	27983586	50974357	65204533	35693365	47272394	45464110	38323893	51515373	65640428	24236205	24864418	45264234	46791202	35998267	35620217
SDMA	24000109	23266936	19734688	19417125	46315469	48825575	16571900	18112318	22428727	20463379	21906662	22499021	19431021	14898773	23759099	23555640	30838268	14134651	27129398	30450200	30918132	22269265	17600809	13829012	31644034	15109808	24000109	24647731	15924440	21995815	23047089	17912583	30264514	22664778	20979630	15357170	21385346	22006619	23024451	25731427	26430617	27102493	20384612	28912378	26646392	28260907	22624203	26246878	24000109	24509726	27862618	21206713	38993230	31270312	25324094	32597393	24525168	26217073	26577462	41205994	19898555	20353508	53724774	51911150	24000109	23502219
serine	59179	58017	28692	28401	40904	40546	59568	42340	52070	44385	55125	50748	41385	38449	44281	24114	78784	51606	66410	101749	61643	61027	65081	72210	102960	68965	59179	57681	30264	39837	38566	36508	35801	90928	68028	58435	65643	68119	28740	46614	44302	42582	44193	44318	50284	59103	39516	34719	59179	58246	66464	72451	90280	72368	85557	68547	74782	90636	96401	81783	28840	27266	41107	41796	59179	58005
serotonin	100871	93815	73959	70210	99283	94074	47772	44798	89276	63302	63719	107293	46522	49716	107561	201712	144718	73212	73664	102303	157440	93649	129127	88476	113670	55534	100871	97217	94655	78004	77345	87402	103730	110010	94747	73050	91225	103318	157217	131667	94824	119831	93478	117475	98552	112088	130507	94796	100871	98312	75550	80680	80437	86168	51046	81307	80392	95401	103424	140992	72351	69379	105036	105717	100871	97229
S-methyl-L-cysteine-S-oxide	120519	130680	171223	157592	145249	152041	192666	174958	164531	149985	135837	185606	146721	159864	117393	129876	116908	115299	128570	137643	117300	126561	120580	120788	119372	108157	120519	121196	128733	116059	135396	114606	120707	99580	130657	109919	112287	122634	108250	106933	97178	110508	91985	125593	114955	111133	111626	120027	120519	118602	136694	141121	146511	121590	108379	134424	127901	114676	102626	119708	132303	137031	131411	128005	120519	114960
taurine	22593298	22386187	24625262	25252463	30002800	30181817	15801670	20790765	13482016	29587497	29177221	22794028	21555150	16382813	23875268	27726275	16322713	16921735	19840182	22813507	18328313	21266005	20811080	12990562	18048581	11913034	22593298	22243969	27120706	28289863	24750492	26053122	27715014	15050144	19471597	16145288	16081197	20667050	27844738	20112203	25485590	29570323	24895828	29987910	22182247	15594277	26710551	23520192	22593298	22741123	20974454	22619739	24652039	18857902	15312265	31510353	20961056	15240361	18075842	26238908	25147806	24905529	30263458	30545059	22593298	22324426
thiamine	968846	992054	1116528	1117060	1040785	1061922	1783746	486269	841570	324577	531114	1880556	713177	455651	370640	427599	997645	626785	871017	1159660	740521	1473154	1166120	1345705	948608	799798	968846	955860	501085	449519	794008	623278	414609	974959	848628	1159411	1146895	1681453	728731	526456	1110129	795517	374372	833059	1212382	822605	758479	700079	968846	963740	1016617	1282145	1393242	1719529	1076629	1392446	1589513	1271529	1033144	1618274	1089786	1067671	1027537	1015450	968846	971147
threonine	171752	170810	120566	119973	147491	149729	178920	150442	186590	123534	180185	157608	111808	115307	149938	104168	248163	170855	214385	289182	169058	211364	182557	201940	315002	224043	171752	172333	125166	124819	145220	133200	103780	230849	205646	162492	160695	191208	108853	144818	133558	140135	129167	158116	125614	171351	142999	109919	171752	161412	170966	166732	232011	205621	202541	163321	210873	252112	262281	227119	113209	110499	133168	134938	171752	167048
trigonelline	7409759	7408677	9019239	9049348	11198135	11163658	8087946	5648773	6969992	8868974	9920035	11668760	7193890	6168660	10500092	10641661	6386795	4930138	5244976	4088040	7738432	9948819	9784692	7945839	6175210	6347312	7409759	7298818	4419196	7758935	4770376	8706393	10768365	6131260	5289035	6676261	5914297	7773862	8694524	6297519	11203927	9622141	9704423	7391216	10735458	7990340	9318484	8316885	7409759	7348018	5230896	7204099	3595249	5513799	5288632	4255559	5563586	3777123	4436478	4862158	9098765	9147210	11227991	11277581	7409759	7474318
trimethylamine-N-oxide	185856	186067	153411	151773	152491	155502	70686	126231	239777	285466	316499	241903	313854	141236	406563	275316	261004	123606	135303	121872	321183	229263	272844	194966	245416	160691	185856	180619	231235	258109	91766	133447	329439	235811	151660	150859	162464	197086	270117	213414	307379	241631	288063	132192	207852	150865	141664	109193	185856	190273	93517	28225	14895	106857	62316	17023	27225	82441	17839	170760	144836	147127	151901	154234	185856	184637
trimethylbenzene	7459571	7025643	11061942	11854040	11647883	11527059	9781730	7297294	11286482	9926987	9208965	10100114	8419204	8700432	5761560	6323656	8424597	6538671	5833097	7670495	8458293	8202377	9123022	7282188	9585975	6822104	7459571	7603716	7003787	8245700	8900107	4866481	7528055	8871641	9103719	6390980	10649554	10350245	5068961	5731954	5310768	6773297	5703882	6955325	6720999	5634317	7524803	6257259	7459571	6860224	7775328	7339392	8361256	8672708	9393528	8727137	7621094	7715216	10083528	10779334	13854090	14595564	13929890	14808746	7459571	7855774
tryptophan	37306184	35802424	24430685	23848994	40563052	41024071	34255649	31163081	44575575	24882841	32283943	52309991	28778165	27728314	27749784	24005833	40819310	24811800	43783805	40113934	45672843	46720229	35114482	32551844	48265325	35689398	37306184	38296408	28274651	29768288	35057756	26853862	33143954	33993685	35341816	28757211	36045039	46565194	32871192	34911618	32110031	27569547	24525348	42459261	45364288	38939426	34053044	35507429	37306184	37371483	36754266	40598321	42903647	47282158	36569549	48576971	43787932	42279572	43773963	52581529	23590775	24612989	40347403	40611691	37306184	36522144
tyrosine	45651255	45727734	27627184	27381828	61191359	59443937	44015050	38543569	59129121	30208187	53211307	70573656	42126191	29827881	36370274	31330852	55397691	24490820	50139513	45087490	55978621	58336745	39628281	30906380	68797538	43084237	45651255	45105802	34621099	35756680	43172809	26595726	39634891	38520718	38947613	34117860	39129160	56362187	37133896	45864066	38306563	34171814	28540609	55890135	48027290	49770239	48475543	41532688	45651255	44755082	42706627	45001186	53182843	61706086	42379276	54323806	52096648	52000519	55469168	66510584	26386575	26436984	59075592	59376615	45651255	45582544
urate	96765	98354	128106	125809	112862	118009	318915	105834	173099	59749	62225	291230	58554	78067	18119	22564	58392	41468	175112	173665	80250	116188	121898	129976	70316	83817	96765	93161	92664	54773	160842	71119	42057	71532	108420	61632	90063	136170	98254	94241	46631	46801	37917	136633	171406	103073	58714	86657	96765	97387	191765	115103	61507	82699	83990	325032	140986	74736	75440	60776	122883	120088	103053	101756	96765	97853
urocanate	222096	213985	218142	217666	396637	399720	116801	144775	280204	230806	217482	248906	483937	401839	217783	387246	217841	127517	141534	157472	398215	165487	165593	427711	193928	153230	222096	217317	183009	187283	165586	194943	674651	131302	148321	107370	237220	114501	230574	325342	246272	263230	201423	157012	233255	219769	167994	236538	222096	223948	149651	147472	189350	222182	147036	144010	180527	188230	144583	226357	334956	332231	449956	456792	222096	207070
valine	285328095	288832115	247695566	240571894	393143034	387532654	276657660	242225536	374698968	232285869	352656336	439705415	226727331	223004031	244101241	227574689	328229300	184100569	333210050	312007284	364905953	375098389	253112386	211987848	380986507	260781358	285328095	291092428	242643359	247926689	259049802	216657337	294307680	297310530	267607907	197269414	271662102	353649730	236271569	263594067	266832526	267704981	212988600	317848537	288818916	291300034	302017412	255428797	285328095	283969365	249527471	263536143	324569758	333814866	263319391	341255896	303726297	291622065	330833119	394455200	220463088	220411929	349449521	355562069	285328095	278710670
vitamin A	39111491	40574002	60398959	61909483	46191583	44122401	44759203	44550328	56137932	51706070	48490423	47763140	38381696	34232785	31700368	32391505	52300757	44132189	44273361	45548340	47493477	54316489	50821951	50080205	48615897	42583194	39111491	39160245	32974013	40532733	41553392	29450237	30110681	54315395	56330483	41773656	57354630	54720934	27188926	27866049	28859955	32062237	26292161	36756636	32384322	24729442	39173989	31865153	39111491	38211559	43958845	46504554	51792067	49254669	53183884	48799152	46560388	50757398	48715077	51031952	42985473	43226351	32166428	33160206	39111491	39746842
xanthine	392633	400122	655869	648190	332145	328515	1376642	407689	574245	212921	277170	1020702	417715	330358	114402	175779	105189	184663	574097	799189	327895	478068	424654	463124	170836	304608	392633	398302	201450	248836	290473	110700	109768	186932	388745	310829	437626	790722	407512	315600	198810	267707	85136	317691	428583	420593	144147	266344	392633	401396	692931	606239	263020	367785	276689	1173218	552522	641408	424028	353421	668837	684455	328904	325221	392633	403050
xanthosine	1197322	1210786	1563679	1562625	451245	453850	4772337	1255420	1617287	300347	478191	5686341	418971	439756	65344	104669	256069	310991	1949451	874488	637193	2521912	1452549	1748217	219179	1598925	1197322	1158761	664504	553122	1889979	436746	126484	684431	1293270	1356331	1288011	2928031	852069	617902	589032	768912	143763	2215718	1364861	796105	458391	623915	1197322	1200933	2100858	1869082	145701	876375	963993	3111448	1287195	662586	957361	167473	1453866	1470646	425312	426594	1197322	1160051
C14:0 LPC	90796	88680	114938	114076	105545	112050	114943	83429	148636	99450	146812	233939	73965	69945	104371	78815	80244	33930	91741	121382	79915	130018	106008	82321	99455	63775	90796	85828	83680	104244	63604	75013	104644	74907	62745	58467	64075	90839	94863	85939	93854	105865	92440	91677	112588	93486	102915	107222	90796	89988	78910	60756	90377	78120	77563	88798	71728	47272	66660	82701	120105	124414	117049	113609	90796	93185
C16:1 LPC	218057	212791	239042	245574	233101	232012	302656	205885	490638	265240	386156	566406	230726	175391	220475	177517	199275	93400	274181	337735	165482	367653	221910	202717	278487	166862	218057	223304	201977	233145	153636	167806	222347	158732	166943	159805	159489	247389	223936	147383	199814	199610	203605	187685	228410	211313	224281	202916	218057	212996	183608	153745	222111	149077	156515	183047	172820	118701	137369	168646	241437	251273	239317	236884	218057	210880
C16:0 LPC	25282467	24282047	23444872	23182649	26889023	27592639	28308827	22779228	30651593	25417311	29882086	34818150	26260382	21390169	27112048	23810103	24392229	13598651	23199623	24893986	26338720	24136793	22780846	19678652	25515972	18343143	25282467	25033356	24591216	26168484	22887434	23008317	29334881	22466773	19091054	19300136	21337057	23711487	28112291	26996820	28298652	26297434	26764156	29980247	31806456	30912754	28332685	29618946	25282467	25051108	21158254	21365308	24233555	22232370	22602199	25510164	22317951	20911580	21909513	25683494	24620322	25122180	29457301	29826340	25282467	26044950
C18:3 LPC	704540	661800	553191	564526	570404	583632	726413	624482	792279	613899	677876	802306	641154	660834	659699	622497	674175	514040	677067	703784	727404	695069	634541	604406	652602	571680	704540	684211	832079	668955	620448	583094	701866	596646	610591	641178	642388	653713	683346	619994	669668	660676	629654	697547	726659	704635	755019	785111	704540	687660	670898	682952	710534	607140	668768	695857	617622	616885	663033	714255	590120	588475	625106	625450	704540	728776
C18:2 LPC A	814121	768588	1062187	1031943	1283733	1242567	936967	735289	1147205	779482	982296	1277340	842494	613695	758161	768181	805367	470620	819559	748644	873928	931272	966574	774538	875545	781670	814121	792132	793367	790013	648524	641692	811320	829042	645937	735259	716061	942020	836666	738258	850873	785332	762651	783349	1116110	798118	937388	789020	814121	793371	577499	681016	664631	797461	706826	756119	742567	573479	847813	975177	1084602	1085365	1325093	1352705	814121	780826
C18:2 LPC B	1304283	1283812	1015198	988772	1154017	1252815	614256	1090633	1612947	1337800	1892760	1940168	1260735	849172	1342458	1220881	1381870	855279	1151644	1072895	1359135	1857640	1687383	1380159	1566465	1381448	1304283	1311252	1266014	1575775	906045	1059065	1595303	1442057	1104350	1158057	1324280	1483275	1165035	979298	1526876	1180493	1248445	1110840	1319149	1422342	1669722	1463466	1304283	1334225	717175	1023526	979215	1116394	1102722	847626	1232708	828998	985352	1490948	1024627	1048268	1271015	1290190	1304283	1306789
C18:1 LPC	1111722	1089972	1213540	1200410	1448328	1474077	1622763	1088703	1521416	1202205	1520325	1736019	1194027	1061880	1120208	1045028	1096910	552148	1164070	1470727	1059305	1277529	1160750	929502	1246716	874459	1111722	1112331	1014469	1073336	966605	905612	1245110	1020470	882129	836366	964094	1184063	1085939	975501	1090254	1010452	1102488	1100928	1458732	1222389	1303456	1221988	1111722	1094662	748577	774329	1070752	951776	854323	1029207	961006	682515	830392	1009661	1173319	1208283	1432576	1472092	1111722	1056664
C18:0 LPC	13333307	13183384	11942680	11622066	13889864	13874044	12000223	11001319	11057173	11101534	12184042	12708460	11743614	9506276	11702342	11418790	16600864	9928807	13532425	15010180	16873658	11891057	13343383	11608230	15561998	11725468	13333307	12967015	10447215	10359007	11277731	10819425	12853973	14764947	11655852	11924649	12923704	14520262	11604960	12850570	13579133	11922049	13074351	14448281	13338811	14093080	13601427	13284768	13333307	13461582	13268088	14252126	15705064	16691718	13997785	19254248	15701181	13387094	14798892	18019499	11522362	11870004	14114990	14112508	13333307	12758185
C20:4 LPC	2168044	2178318	5374898	5422145	7007382	7187055	3550308	2175663	2715764	1667286	2358704	2418936	2932650	2399304	1881825	2372359	2631104	923272	2039075	2077119	2394428	1865539	2124222	1601377	2159907	1593228	2168044	2218691	2166321	1408720	1934280	1688110	2018410	2045400	1457549	1732977	1675431	2294522	2838291	2236203	2273472	2304264	2456564	2799808	3504688	2737923	2935267	2664122	2168044	2066074	1648864	1843456	1828999	2624790	1767732	2699332	2130017	1702128	2335358	2691393	5168056	5082049	6801274	6750061	2168044	2234451
C20:3 LPC	76845	82130	66292	61990	71224	69490	59218	65533	81736	68591	91376	82414	73146	66252	55583	51441	104025	48888	68985	85952	91506	62204	80748	53895	84095	71405	76845	70941	68264	51780	57089	39596	120421	79014	46782	72558	81356	92984	54695	58210	72655	63981	73110	72041	70155	72544	76416	81307	76845	75115	68021	90579	75661	84764	76099	99107	142379	67160	78812	109921	53877	60223	68867	75842	76845	69893
C20:1 LPC	20345	18865	59215	61240	63150	65160	19826	19684	20708	17657	20805	15882	18777	16094	15206	20479	24152	11734	27622	31378	26658	28723	29381	17823	26297	23522	20345	21614	29621	20465	22697	19985	20130	22439	16140	17555	21829	24272	19945	15222	19795	25013	21213	17859	22963	15313	29950	23422	20345	19107	13139	17866	20086	22516	16594	22805	15843	14215	22160	20726	68799	68580	72224	69032	20345	23144
C22:6 LPC	910950	898379	987746	996057	1680066	1756267	1057311	500433	905952	522771	795070	822417	990136	743400	667536	800781	1287354	431252	952529	955000	1304630	1089340	1055224	776487	1143861	803431	910950	924972	673138	529860	694524	599123	877000	1152434	837730	880061	923454	1354709	1036417	751321	1007576	815939	885204	977119	1356872	1152682	1068025	875393	910950	897876	751015	975206	760563	1457357	1031050	1354252	1101978	956251	1089467	1178112	944736	940505	1679121	1669847	910950	921876
C22:5 LPC	162519	159931	230361	239794	301319	304520	265629	114857	240133	141369	204879	212703	225509	169335	143030	153785	189680	55302	142121	200966	199310	191329	155437	105884	211128	131517	162519	163949	118003	98437	107384	97895	171012	171340	107080	127369	123691	206541	183267	142738	166663	158138	152849	186204	206888	200079	201396	158197	162519	157768	133513	137065	146789	232680	162100	214878	193149	142432	179388	196897	221208	225498	305411	299794	162519	164511
C22:4 LPC	52408	45485	89541	90674	102186	109786	79010	40893	76245	56070	64843	68765	68192	46894	65630	50407	55578	15021	33862	49384	59106	55199	40072	30063	64339	35378	52408	49428	29571	19813	28379	25434	52755	43654	31866	35120	36958	55446	68670	61137	65528	53263	54110	69083	69242	59782	60362	52562	52408	51724	37250	35024	47653	67178	48413	66668	55839	52975	73490	84441	87135	86531	113323	109034	52408	57534
C24:0 LPC	86472	84795	112477	113576	128396	135832	80109	76170	81660	83199	94440	90949	80247	50065	61062	65514	92080	51644	85829	78809	104880	81926	84176	54390	81979	82123	86472	77216	62308	56554	75028	63599	88724	82342	52703	69531	82083	100890	75957	78730	115484	85847	82774	94412	80870	82397	102353	76625	86472	85511	102189	100658	93277	117653	111312	123140	100278	92530	89601	134064	114634	109598	137067	130873	86472	84749
C18:1 LPC plasmalogen A	72073	73260	65126	73205	105404	102265	66280	54063	97986	61379	62533	54184	102972	57409	54406	72768	88914	41850	63196	88670	122436	56723	55548	51624	94745	43085	72073	77786	57313	42818	49562	35444	54452	77319	62933	63405	76742	89067	74517	67051	89149	74244	49430	71267	97239	67277	68633	77688	72073	70274	66768	73486	85535	93407	101362	99658	100836	86338	106767	114823	68819	65388	96624	97929	72073	67861
C18:1 LPC plasmalogen B	5209	5517	6798	6251	12073	11383	4659	4301	5495	4250	4994	9326	6037	4458	4830	4310	5821	956	3650	2015	7540	4501	4052	1656	5570	3866	5209	5089	3611	3653	5163	2061	6590	6102	2640	3523	4750	5412	6069	6788	8438	6363	5918	10165	9203	5143	7111	7270	5209	4696	6084	4472	7361	10753	8934	9877	8457	6991	8318	9824	5867	5172	9338	11140	5209	5194
C16:0 LPE	2083473	2130020	1763974	1756181	2186147	2166022	2877439	1763790	2533605	1859826	2746487	3177509	2240693	1721707	2028285	1764385	2030902	1171170	1908225	2122306	2159314	2335823	1720889	1586428	2553499	1659276	2083473	2067027	1799533	1933594	2032400	1938909	2253804	1981561	1747578	1331920	1607287	2260954	1954085	2169898	2149393	1926330	1894683	2362691	2515139	2586202	2485763	2127615	2083473	2020258	1652932	1851244	2012008	1939867	1926196	2443332	2160122	1951550	2085354	2250176	1755431	1729998	2191003	2239516	2083473	2103681
C18:3 LPE	169191	177464	152682	152769	173148	168740	230571	156157	219384	152958	215235	253172	178725	157249	159562	135992	164936	100640	158828	169548	171787	186563	141800	133324	190564	143081	169191	158590	142642	155284	157926	145945	170557	154494	146761	113688	134732	176775	159994	175807	172189	151090	159056	183382	196600	204385	194143	170785	169191	162605	139662	156115	159728	158101	160072	188158	174347	163769	173501	179143	148070	148267	174391	173204	169191	170144
C18:2 LPE	229866	227178	198806	201300	295352	296990	246289	200163	282548	207384	271312	331913	227441	170529	201210	186787	208472	122243	260963	246136	267465	279390	224794	175762	238917	204021	229866	227082	208437	263089	234284	218869	253105	178442	144668	161269	207705	239834	205022	213101	237378	228259	153450	230355	293954	246613	281233	239978	229866	227929	204639	211319	254335	227011	229194	287466	215886	223805	224944	299634	222317	213777	304266	309317	229866	228453
C18:1 LPE	329159	327734	337885	341722	461303	458825	564415	303763	443763	287973	404035	522715	382275	330561	306493	269179	310144	148440	344566	448188	321426	415756	309827	276660	406008	265065	329159	330710	287921	313852	329576	278507	323976	298631	274834	205052	256690	368816	313842	327960	304750	311726	264598	347760	536836	362456	453290	357672	329159	320419	245260	236193	355898	280064	271390	382322	294733	245093	284577	313650	333641	323173	450203	451594	329159	325957
C18:0 LPE A	3010215	2984701	2079190	2085301	2860317	2952987	3015700	2546238	2961312	2184757	3202817	4098099	2499283	1808427	2376140	2174801	3521237	2250929	3375149	3128194	3943454	3631208	2746404	2708462	3959085	2882708	3010215	3043503	2142513	2580450	2707873	2408872	2893076	3082928	2832457	2078547	2606407	3450020	2456342	2955267	2884501	2428618	2304594	3086563	2925337	3113951	3393198	2637983	3010215	2971266	3204394	3149564	3821350	3711172	3451613	4535692	3838096	3679550	3566296	4304889	2234960	2137426	2970823	2976893	3010215	2956519
C18:0 LPE B	174153	161795	213804	223746	274023	260767	223095	201610	296141	185259	261096	338396	180947	143853	196209	149540	171080	65602	133678	150347	158748	175432	161009	121379	167188	140287	174153	173859	174462	227758	156945	139475	189323	147406	102245	124022	132644	147340	202188	216673	202487	196532	176245	219267	244476	176607	213513	205468	174153	170819	127564	124424	163125	178600	150902	150293	160927	121250	137825	154398	227855	218058	295408	296378	174153	167647
C20:4 LPE	813624	784969	722764	747306	982611	990971	1136248	652195	977023	608571	814190	1032769	965074	675206	563348	516879	852929	424098	787183	884263	993226	918265	695198	613633	914897	648016	813624	798638	554384	610711	662446	594640	682973	554112	545708	546724	664641	842875	711665	714099	800267	672231	559724	794577	1026890	844616	857574	730760	813624	793406	975815	852574	1055927	1097390	904690	1432593	961339	966718	985483	1301752	682953	681485	902493	989809	813624	789979
C20:0 LPE	449303	437835	502480	494578	642124	658000	504064	445597	559003	446375	527094	588021	467275	411775	472746	458778	497211	215607	377527	434304	486880	370637	413094	310857	444872	329462	449303	462041	450991	503345	469071	412008	534034	401354	332685	324503	385300	412093	487090	505153	500546	472259	453326	507578	584084	477512	560235	515899	449303	437458	320448	343779	436732	501281	410947	498484	440043	330025	374930	479304	480431	476239	645625	648998	449303	417904
C22:6 LPE	394668	381615	215949	218815	344645	324475	352233	195607	323204	229419	295752	345836	437935	288175	309034	288072	497428	244016	425657	434783	615576	510595	409642	325789	527776	353716	394668	404989	258099	253669	304724	269408	367495	378611	347059	327994	389396	487763	342425	337959	398229	291364	310030	354839	433422	417580	386386	325205	394668	368575	415122	468175	436677	668720	478262	582019	448125	567682	535442	573916	228305	206569	352974	389880	394668	402054
C30:0 PC	2489231	2552256	2621264	2640774	2421049	2349794	1966784	1495941	3381999	2356697	3089389	3658169	2091361	1925429	2297429	2433252	2539254	1609173	2996075	3194401	2992404	3850396	3263561	2710668	2903902	2376996	2489231	2559675	1845030	2185098	1655185	2155414	2843583	2425565	2287283	2105942	2447990	3040515	2233280	1685875	2422542	2138131	2136139	1941485	1815816	2050358	2033869	1998079	2489231	2302800	2360649	2020709	2380746	1994407	2256764	2513522	2194593	2043938	2453391	2667475	2776366	2623422	2407025	2505647	2489231	2596875
C32:2 PC	5570165	5342980	6758634	6770142	6025059	6064670	5931103	5933660	7791517	7179835	8871149	11349188	5132613	4939088	6813592	5268368	3821848	3198035	5056921	5627989	4096061	7058808	6291625	5414862	5032757	4409588	5570165	5901695	6025724	8299937	5482023	6257622	6525474	4019373	3945163	4181523	4245084	5296479	5512294	5022655	5123113	5506171	5590785	5603660	5509907	4857196	6133017	5940848	5570165	5314468	4624001	4199606	4080311	3287415	3531636	3732474	3440034	2988114	3888826	3576017	7165833	7006065	6076870	6306790	5570165	5579723
C34:4 PC	2146152	2164334	3110118	3028785	2589194	2514486	2205816	2138575	3169040	2810416	3116878	3809715	1865837	2215034	2582531	2326681	1770499	1565148	2377243	2578381	1632458	3229313	2583463	2509022	2151622	2209144	2146152	2195688	2473824	2719989	1852574	2227613	2374121	1516853	2023788	1877291	1733328	2098891	2395828	1630974	1953552	2204074	2168262	1689539	1761557	1652744	2018070	2043596	2146152	2132886	1907756	1464861	1730977	1489212	1500565	1469682	1548687	1195309	1528688	1429013	3119009	3172350	2494136	2492090	2146152	2113425
C34:3 PC	11462648	11311468	9943317	10024874	9623873	9559822	9435429	9439855	13049809	11633569	12938618	14640629	9005136	8295736	9712357	9013208	12103099	12564245	16320362	15963595	13116405	16742394	14206574	13671296	14249721	13197900	11462648	11716717	10842656	11154694	8431200	8761780	9849290	11788732	14675994	13387757	12283092	15176750	9161940	7917675	8939193	9050283	9881573	8069203	8485424	8917198	8980836	8427819	11462648	11010327	14211311	12127038	14535309	10397100	11500373	10944678	12211134	12436849	12936326	12017723	10249365	10202993	9304836	9197758	11462648	11473557
C36:2 PC	115206332	116045224	106949244	106401673	108888264	107445762	99141210	115407087	130882573	114122073	124244168	136499306	99035551	87604786	104080970	107239425	123751868	124660951	150503630	128436697	135891004	148922552	144471983	132816572	121243145	146118823	115206332	118500931	108533367	132271671	106089682	108901692	115952129	115383749	119851313	128909049	122855032	137417357	98974899	107315698	109305073	106931713	98310479	93374867	100541648	92734758	103382033	102872757	115206332	113922321	131465670	116675648	118337921	124859268	121596978	123203730	115486915	110070654	116579802	118746323	105740990	106536980	104396769	105113045	115206332	113288884
C34:3 PC plasmalogen	107172	115094	109316	96137	98471	102194	98845	67591	77080	72037	68052	70943	105300	122714	78573	87050	157977	111505	129834	136201	153355	114102	130991	131624	148829	112857	107172	110988	78359	69575	68287	79587	76134	120626	117898	134310	119084	132080	70250	74642	97601	73235	68004	68165	54087	58992	63987	64942	107172	100924	131104	115663	135051	137084	141850	138525	125709	157579	173329	158568	89635	86173	70615	71789	107172	95875
C36:5 PC plasmalogen	1835959	1890640	1370462	1415823	1807052	1648120	1979361	1458260	1732886	1606086	1635634	1841600	1823362	1686257	1600755	1658484	1846566	1834530	1901597	1643368	1951621	1676709	1618946	1725923	2085143	1486905	1835959	1675552	1508107	1449158	1540752	1402747	1618918	1860023	1993449	1747027	1913406	1934019	1562968	1833092	1779544	1587640	1599755	1813061	1677251	1721583	1678754	1724632	1835959	1722057	2143343	1964317	2397440	1720575	2339604	1952164	2048205	2451900	2469478	2497751	1454378	1426006	1688938	1784829	1835959	1810819
C38:7 PC plasmalogen	343912	329556	288218	300892	491774	469080	278319	220604	277105	248109	268889	293616	301963	246831	343426	321887	424415	318981	392008	385576	431446	364849	347134	322464	457799	262339	343912	359926	269547	331965	333914	340144	388734	419260	365489	313831	428564	440238	300114	307626	352529	289320	310035	378435	346125	377390	320552	345486	343912	382467	353141	355787	409275	355900	405133	385983	386781	430896	376116	479228	269659	276566	434855	453752	343912	321113
C38:6 PC plasmalogen	947283	985523	939824	988555	1365009	1305307	913984	732972	875119	785412	824245	917880	854802	690839	913882	827971	1062693	812120	883338	898260	1146307	853524	912901	785179	1066359	754782	947283	959043	690665	785611	867580	809837	918330	1062503	964446	777620	992827	1052584	757150	923816	946164	809639	878744	1096161	1004955	952768	1003809	947166	947283	971072	944195	978910	1095622	975459	1125150	1175863	1088732	1255869	1099747	1298377	909886	951639	1261169	1279672	947283	915726
C34:2 PE	26480311	26572913	29598907	29434917	29070673	28438829	31884194	32263149	29929285	30523675	32103242	29610501	27890224	28279704	30387069	28306697	21329850	22225796	24666030	22274712	21579415	23553187	23068118	21392546	21740539	24242366	26480311	26263905	31486492	32676828	32452377	32441570	30195659	22830884	21412861	21500575	24149943	23276929	26883411	29017107	28412114	29154659	25697991	28353916	28051081	27300594	30656843	28950747	26480311	26665363	22772264	22474907	22893545	17393090	22978049	21747795	20671684	22875001	20633521	21821883	28476989	29148072	27983091	27962610	26480311	25235748
C34:0 PE	1437594	1395185	1784662	1779190	1877820	1859787	1268540	1100187	2095545	1291878	1629728	1885138	1323999	1316376	1307447	1377777	1508637	906797	1406154	1387249	1581235	1678081	1584882	1285244	1350645	1460083	1437594	1436594	1307597	1398522	1152213	1171215	1588059	1368802	1385903	1300783	1411229	1412815	1368391	1294401	1357053	1307459	1226898	1168980	1217743	1200884	1344708	1162319	1437594	1311608	1099058	1087753	1446329	1467854	1307865	1134586	1438103	1372789	1435129	1620529	1919000	1903926	1982238	2016141	1437594	1553577
C36:4 PE	28465238	27788609	29944428	30744309	29720845	29914083	31997317	29696179	33402790	31603151	33260416	33760822	30174701	30887423	32220366	30989279	23626754	21609011	26025982	23500709	23774678	28271150	24749523	24639453	23757754	23834501	28465238	27961027	31174576	30348940	32225415	33156780	33768301	23246305	23623998	23079249	24402489	24794542	31641714	31777646	32711318	33603620	30792387	32863318	33627473	33064413	33424815	34024001	28465238	28938964	24657091	24328217	24934716	22198145	24423627	25288274	23541843	23426783	22469459	22901737	30339207	31961026	30667963	30705692	28465238	27817307
C36:2 PE	8271578	7972470	8234905	8367381	7770863	7768797	7531047	9107610	7794681	7957167	7965352	7859880	7271373	7066167	7029309	6445395	7493021	9597772	9497287	7433373	8394692	9303926	9589494	8632036	7182126	10096671	8271578	8028924	7781722	8392950	8218074	7886706	6792080	8121657	7834841	8444760	8747866	8762931	6801646	7597814	7683978	7333803	6509432	6729531	7193882	6340587	7891169	7088180	8271578	8273852	9844739	9132169	9600071	7316680	9396105	9424978	8260924	9473305	9080531	8496105	8102334	8708774	7771669	7904576	8271578	7888443
C38:6 PE	39656669	38611746	36884396	37539745	40262468	40103628	40523712	32909863	36143769	36499597	38017473	35855748	42588149	37222337	42840455	41423000	40302998	34737894	36652423	40845200	38938058	37342673	36015727	37669178	43716879	32564611	39656669	38200869	39573240	39518699	41519725	38980805	42751417	42535762	37753441	35747301	39578808	39654175	42620029	43670967	42649323	41747592	46070337	43316866	44488974	45835227	41611375	42031174	39656669	40158131	35754210	41223345	38393062	40226575	37270439	37667389	37643407	38816058	36744011	36306023	37568255	38891233	40957466	40135861	39656669	38276496
C38:4 PE	40171265	38946567	38980097	39551167	39221837	38924980	37457124	43203212	38308439	40589761	39372872	39593501	38843051	36410461	37034141	36934525	40004009	45073672	39456665	36474010	40461824	39425734	41104076	40595445	37588863	41760017	40171265	38970256	36850536	39494722	38575874	40145261	35954552	38117165	37912744	39252756	41257146	38315216	37258797	41448013	42787836	39074143	38827832	39800396	36266593	37300973	38691242	36814133	40171265	40213890	43847265	42972273	42901641	39959845	42722201	44281906	42011046	46435290	44453544	43476920	39778451	40956380	39232890	38806906	40171265	38997453
C40:6 PE	19636169	19374640	14397797	14761047	14169647	14322553	15558149	14300653	15064407	16043468	15826336	14764460	19003600	14957415	17119573	15348662	22829588	22187480	20374187	22003110	22605216	19583508	20870059	20471893	22944615	19102743	19636169	18632504	15406153	16645005	17052243	17060330	16906212	20045830	20189240	19545138	21150936	20217780	16892775	19192398	19206426	16900931	20747678	17117569	15192798	18790830	16667750	15082723	19636169	19553440	22894623	24693251	23950268	25816620	23622313	23749537	22856751	26140695	22953430	22447795	14836542	15240472	13696533	14104926	19636169	19637346
C34:3 PE plasmalogen	22818	25760	16253	13898	11909	16355	6724	15406	18579	16299	17084	18139	11620	9824	10825	9889	41405	34833	48511	40121	34276	52797	39413	38177	29567	38546	22818	24262	19363	20817	12015	13662	21573	33582	34251	35754	38761	42102	12680	6051	15864	10862	9245	8627	9307	11243	13979	11363	22818	25715	30853	34828	38042	30534	29855	42848	28205	21909	19472	26957	9805	13495	10471	11074	22818	22605
C34:2 PE plasmalogen	32551	35864	20478	15995	19911	24502	20234	20869	23525	20044	18936	21039	23377	40782	21635	25091	48373	60563	62336	39391	44856	56762	53196	49216	46280	46312	32551	36525	32894	17916	17577	15660	24048	44638	55956	53350	38428	45843	21637	15743	21122	22662	18674	11358	11185	15566	16575	18025	32551	28228	42247	33334	44476	34293	42160	33657	36000	40017	39137	35554	12137	15650	16958	16431	32551	30226
C36:5 PE plasmalogen	2178747	2147688	1508565	1566874	1738866	1732721	1709191	1648820	1970991	1840082	1844766	1854012	1814678	1936282	1833139	1985726	2610141	2376652	2626687	2482623	2653939	2422733	2424649	2316587	2569993	2202160	2178747	2048896	1947586	1863530	1734536	1833558	2008797	2378984	2545205	2247751	2457810	2513646	1891191	1898543	2147698	1883171	1919020	1881504	1736810	1911841	1876441	1800874	2178747	2176758	2359013	2356797	2595315	2263748	2504089	2423204	2353669	2570412	2484737	2615053	1561300	1586080	1704918	1745640	2178747	2179754
C38:7 PE plasmalogen	895357	940001	657048	676639	926878	924980	730455	699845	835492	732529	780811	753949	840761	805577	808813	797919	1029400	844382	986879	1035236	1090371	945972	930376	878874	1087380	772039	895357	840996	831257	862001	811558	817645	933136	1044331	1009918	839574	1047032	1026619	808503	853376	945484	808814	849994	825838	787586	870026	838639	787958	895357	922667	895771	941176	977276	881268	973295	977689	959646	1013270	940373	1051174	690970	668693	843422	904890	895357	897241
C38:6 PE plasmalogen	2323850	2400144	2074917	2105152	2411212	2462319	1963584	2081594	2528365	2225100	2272605	2329783	2199204	2258560	2095496	2230528	2551080	2217089	2435260	2468499	2784485	2457400	2533829	2270114	2478035	2250579	2323850	2210746	2229445	2173495	2059663	2001434	2317371	2450692	2443715	2140266	2451263	2383834	2131417	2076735	2317166	2095996	2222395	2044037	2001325	2063547	2173852	2064452	2323850	2339987	2263932	2391552	2473931	2234515	2530950	2384840	2359569	2613866	2512239	2662376	2176068	2130307	2298276	2441039	2323850	2363473
C38:5 PE plasmalogen	4348924	4535151	4564787	4610332	4627814	4644341	4242693	4328998	4609341	4308691	4040086	4214173	4199436	4991092	4057380	4483261	4364899	4494354	4054734	3997218	4496236	4138937	4840922	4328674	4200778	4432496	4348924	4103406	4229668	3788339	4019605	3922125	4078733	4211916	4692080	4234757	4546162	4270569	4202643	4070978	4363417	4265407	4349733	3897450	3622418	3746170	4159664	3817942	4348924	4386834	4668028	4323690	4618153	4065336	4808123	4059289	4597110	5303673	5417255	4887792	4796606	4703580	4308115	4591638	4348924	4419514
C40:7 PE plasmalogen	1720577	1834576	1774408	1808289	2014922	2007546	1684020	1575568	1640740	1576986	1529034	1522649	1670247	1848173	1643117	1654656	1846764	1665899	1626437	1668195	1898758	1620022	1853006	1715304	1834879	1599206	1720577	1567529	1674986	1585758	1690399	1633093	1738021	1872226	1744017	1646479	1880717	1739367	1524006	1506833	1685585	1533807	1691832	1562701	1429374	1525450	1570692	1486302	1720577	1698241	1654181	1642564	1706217	1548963	1862696	1543423	1804999	2110414	2132777	1909000	1907187	1817629	1927948	2013386	1720577	1817174
C36:3 PS plasmalogen	109339	104366	89188	92919	168936	171269	139105	119326	154140	151135	136155	190873	72338	82638	99886	79297	60510	38316	91911	82554	79890	79518	76994	48620	69307	55780	109339	90603	99814	133272	140082	110570	137934	57801	44243	61009	88031	91754	94896	107696	132905	125468	111164	156511	140651	125176	122321	136966	109339	105752	78456	105764	93584	51838	59510	92817	56560	87401	66562	81935	124168	129244	193155	187196	109339	124372
C36:2 PS plasmalogen	274381	292764	418616	395765	625638	611104	352171	314119	408268	388563	392524	491848	253497	236423	283469	235741	224750	108857	232621	267805	293164	303584	253219	185250	246016	191885	274381	306782	245600	286584	243147	254298	341154	212277	170134	203986	247964	320020	316065	326744	264485	251335	242820	299638	293308	283755	257179	283496	274381	254463	190901	216658	210151	156565	174502	221258	185204	214475	224103	271180	443184	412144	609356	599022	274381	281341
C14:0 SM	36147	26054	222298	247627	239791	228529	40458	62191	35323	106860	121871	73865	45636	8407	35428	58886	35291	3743	36064	47577	20445	8825	28135	20617	7377	21053	36147	42597	47582	21040	42980	88893	91297	16713	5026	24280	24415	32336	53752	30151	124371	74717	96936	94097	31057	103641	107626	87799	36147	47095	40062	26212	17090	21117	10591	74643	24158	11100	12380	40848	224409	208943	227607	225765	36147	24243
C16:1 SM	829976	751320	1407526	1450635	1925554	1958032	761952	807039	813149	922945	1058308	968275	940526	665396	863929	858473	785392	388106	428810	657956	849795	550244	572176	450993	677850	419249	829976	824365	842584	844107	994001	955904	1102173	576135	444772	404935	576266	640952	1054237	1183079	1379015	957970	1070729	1302751	1173082	1320666	1242188	1159729	829976	823662	602886	814705	751616	734119	695263	882364	708619	759997	569075	968735	1604803	1552682	2005160	2118321	829976	931087
C16:0 SM	33150118	31302892	51335042	51422761	66373763	68345769	38009834	35744527	37864357	38680358	41493781	39238155	38716593	30755977	36336065	36257740	27327105	14960059	11786984	21442808	28292201	22226871	22408236	16599299	23109853	15556829	33150118	33464824	35414756	38618106	41863104	42259051	44705658	20535184	18195801	14246141	20760592	22723112	43153914	55121858	60741175	40966271	42890626	52540544	47277974	53023269	47488834	46906514	33150118	32897888	22003664	26969986	27603587	26358938	26551630	29864534	26980478	31424351	24561189	33285562	55850525	54593978	68536800	71693745	33150118	35989961
C18:1 SM	685001	673797	587795	603881	735494	786436	458897	399696	499399	462514	489428	509866	509628	364112	454583	474738	1050721	755587	868317	932430	960577	684707	728103	567776	873737	542600	685001	661617	342266	385915	514565	432003	605332	700004	695845	634257	878394	872848	504400	656907	651481	493037	558780	675622	549940	605424	601995	564003	685001	749118	923503	1149257	1060175	1015345	878813	1260957	961232	1017456	834241	1153629	621333	629294	796790	785639	685001	719361
C18:0 SM	7285270	7148633	7336817	7473812	8511241	9254338	6692961	5059199	5886846	5603772	5456386	5244343	5684581	4717907	5103273	5273785	9404580	7416169	8858657	7128792	7956750	7895102	8129160	6202872	7496923	6016744	7285270	7142149	4634856	4684614	5687235	5492299	5969822	6372288	7018945	6854092	8375322	8105619	5636406	8836072	8700507	6348209	6741751	7194000	6156312	6586566	7155282	6341910	7285270	7877018	9598755	10819871	10476789	10251629	9628692	11250894	10452691	13899712	11448945	12081055	8214828	8212571	9652191	9551389	7285270	7722332
C20:0 SM	1377885	1174590	1564692	1605009	1712918	1651170	1488047	1024548	1068150	1044821	1049026	948944	1089656	1067603	1114841	1116492	1611309	1407637	1579766	1391490	1379881	1501144	1629475	1301470	1388544	1256982	1377885	1282633	931501	882325	1086051	998145	1090570	1221757	1299298	1319835	1494549	1460804	1181265	1874699	1949021	1388125	1342361	1457935	1269175	1231918	1474627	1225019	1377885	1458208	1644194	2015306	2077529	1802066	1793717	1797241	1911577	2730508	2282789	2303572	2010510	1967826	2038088	1917101	1377885	1410278
C22:1 SM	4039704	3580255	4404208	4271129	4646998	4393350	3345451	2489099	2821585	2855230	2855762	2505203	3048324	2670216	3032391	3395485	4753618	3491736	4584495	5096009	4739995	4430220	4991562	4051515	4215382	3513402	4039704	4021195	2802757	2850949	3481448	3216160	3391116	4331849	3657897	3834682	4737906	4695633	3482216	4343119	4835050	3725384	4543517	4039250	4502191	3608679	4369046	3480486	4039704	4250769	4371889	5435630	5208879	5089805	5141164	5015424	5146812	5529903	4987468	4848806	4533872	4427178	4605543	4875375	4039704	4081430
C22:0 SM	3669966	3137560	4899336	4806560	4321040	4086847	4299200	3076253	2899828	2886545	2772334	2595271	3202008	3511560	3809959	3686700	4501174	4061026	3853545	3782521	3890860	3931779	5467789	4177910	3820820	3738604	3669966	3714092	3358673	3022906	3369675	3408007	3132746	3590939	3453648	4024608	4175165	4093644	3893797	5242515	5840561	4827273	4383587	4427911	3943763	3704144	4422257	3765485	3669966	3875520	4514417	5003869	5300706	4657382	4703045	4227873	4844388	6949794	6596612	6205202	6007789	5936251	5216266	5444400	3669966	3753391
sphingosine	3146708	3043837	2199573	2193009	3139745	2966265	2587262	2136498	3117218	2499499	2915952	3155035	2256542	1766699	3072008	2800923	3779410	2328258	3800680	3617889	4266565	3654787	3133573	2524754	3856410	2801854	3146708	3196298	2421140	2917606	2634724	2728600	3489902	2757185	2521835	2384554	2972388	3680658	3090907	3199409	3536195	3228878	3083197	3301250	3508384	3313211	3740561	2944516	3146708	3265978	3234322	3295985	3484105	3490965	3192799	3946567	3217557	2993539	3078482	3637615	2439877	2395225	3338835	3332722	3146708	3222427
phytosphingosine	1614043	1502687	479011	496045	534880	549388	1080491	1057213	1401669	1373363	1436892	1621403	846550	838012	1675800	1837098	1958603	1371196	2116688	1635328	2166144	2638430	2256654	1896836	1829897	1822347	1614043	1594210	1195827	1532840	1232140	1437844	1880836	1437711	1371660	1650595	1777654	2176050	1624143	1505736	2044174	1747779	1575533	1425500	1791143	1304899	1646641	1356203	1614043	1655948	1587487	1761645	1736171	1848554	1598883	1711860	1728404	1179820	1466820	1863521	549974	575000	600303	632930	1614043	1580242
sphinganine	328199	318837	246502	250214	305933	287630	299549	264438	325593	292927	309542	342022	297938	277425	375774	394731	331332	212285	401514	309853	363850	264505	277349	233785	348855	219111	328199	323814	300526	350760	301063	325814	356346	250901	226695	231556	248648	269330	399944	391308	472662	399002	387440	410718	396875	382139	397434	364034	328199	342401	314999	288937	345581	292791	298332	370979	271201	332203	341642	320972	280735	269012	330679	328767	328199	343545
C16:0 Ceramide (d18:1)	1438790	1416742	2982397	3213494	4979822	5234295	2594098	1817525	1838468	1759307	1849981	1863661	1720610	1774238	1474933	1654953	835233	665931	547777	914099	901468	780866	808072	698434	870412	648834	1438790	1372489	1647707	1688036	1777084	1862849	1859243	626659	584624	570904	716031	686516	2221949	2954033	2735273	1998809	2065575	1883883	1731193	1814490	1914051	1772377	1438790	1469907	917417	977328	1146740	962710	1011520	877236	893024	1056701	1026919	1045332	2727295	2739322	4969277	4928181	1438790	1280304
C24:1 ceramide (d18:1)	3244027	3839602	7022611	6924238	6620769	6130470	5490524	3951426	4388259	3687069	4368432	3941236	3806846	4075695	3389570	3012701	3563205	3414964	3374911	3693585	3588907	3653464	3764330	3457208	3853192	3642870	3244027	3110391	3219209	3247417	3051699	3716078	3532350	3386654	2386256	2747839	3183033	3276595	4218841	4964897	4202206	4245265	4035339	4036060	3058325	3581711	4540722	3459125	3244027	3404003	3987788	3915151	4690531	4410929	4226002	3732256	3964187	3589816	4527385	4630532	6195794	6137919	5888812	5958527	3244027	3243248
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	formula	mz	neutral_mass	refmet_name	rt
phenylalanine-d8	C9H3D8NO2	174.1355	173.1292	phenylalanine-d8 [iSTD]	6.71
valine-d8	C5H3D8NO2	126.1366	125.1292	valine-d8 [iSTD]	7.41
1-methyladenosine	C11H15N5O4	282.119	281.1124	1-Methyladenosine	7.68
1-methylhistamine	C6H11N3	126.1027	125.0953	1-Methylhistamine	9.61
1-methylnicotinamide	C7H9N2O	137.0706	137.0715	1-Methyl nicotinamide	8.24
21-deoxycortisol	C21H30O4	347.2206	346.2144	21-Deoxycortisol	2.02
2-aminoisobutyrate	C4H9NO2	104.0707	103.0633	Aminoisobutyric acid	7.61
2'-deoxyadenosine	C10H13N5O3	252.1084	251.1018	Deoxyadenosine	5.2
2'-deoxycytidine	C9H13N3O4	228.0966	227.0906	Deoxycytidine	6
2-deoxyuridine	C9H12N2O5	229.0808	228.0746	Deoxyuridine	3.65
2'-O-methyladenosine	C11H15N5O4	282.1188	281.112405	2'-O-Methyladenosine	4.68
3-methylhistidine	C7H11N3O2	170.0915	169.0851	3-Methylhistidine	9.78
4-guanidinobutanoate	C5H11N3O2	146.0919	145.0851	4-Guanidinobutanoic acid	7.23
4-pyridoxate	C8H9NO4	184.0594	183.0532	4-Pyridoxic acid	4.06
5-hydroxytryptophol	C10H11NO2	178.0854	177.079	5-Hydroxytryptophol	1.85
5-methylcytidine	C10H15N3O5	258.1079	257.1012	5-Methylcytidine	6.01
5-methylcytosine	C5H7N3O	126.0663	125.0589	5-Methylcytosine	6.12
7-methylguanine	C6H7N5O	166.0715	165.0651	7-Methylguanine	5.77
acetylcholine	C7H16NO2	146.1171	146.1181	Acetylcholine	7.8
acetylcysteine	C5H9NO3S	164.0369	163.0303	N-Acetylcysteine	4.35
acisoga	C9H16N2O2	185.1273	184.121178	Acisoga	5.68
adenosine	C10H13N5O4	268.1034	267.0968	Adenosine	5.03
ADMA	C8H18N4O2	203.1491	202.143	Dimethylarginine	9.73
ala-ala	C6H12N2O3	161.0914	160.084793	Ala-Ala	8.03
alanine	C3H7NO2	90.0551	89.0477	Alanine	7.77
allantoin	C4H6N4O3	159.0506	158.044	Allantoin	3.6
alloisoleucine	C6H13NO2	132.1018	131.0946	Alloisoleucine	8.14
alpha-glycerophosphocholine	C8H20NO6P	258.1095	257.1028	sn-Glycero-3-phosphocholine	10.38
anserine	C10H16N4O3	241.1284	240.1222	Anserine	10.45
arachidoyl ethanolamide	C22H45NO2	356.3511	355.345	Eicosanoyl-EA	2
arginine	C6H14N4O2	175.118	174.1117	Arginine	9.11
asparagine	C4H8N2O3	133.0607	132.0535	Asparagine	7.85
aspartate	C4H7NO4	134.0447	133.0375	Aspartic acid	7.82
beta-alanine	C3H7NO2	90.0551	89.0477	beta-Alanine	7.97
beta-guanidinopropionate	C4H9N3O2	132.0767	131.0695	3-Guanidinopropanoic acid	7.46
betaine	C5H11NO2	118.0864	117.079	Betaine	8.96
biliverdin	C33H34N4O6	583.2535	582.2478	Biliverdin	1.97
biopterin	C9H11N5O3	238.0927	237.0862	Biopterin	5.16
butyrobetaine	C7H15NO2	146.1171	145.1103	3-Dehydroxycarnitine	8.74
N-acetylgalactosamine	C8H15NO6	222.0961	221.0899	N-Acetyl-D-galactosamine	5.32
carnitine	C7H15NO3	162.1117	161.1052	Carnitine	8.78
C2 carnitine	C9H17NO4	204.1218	203.1158	CAR(2:0)	8.65
C3 carnitine	C10H19NO4	218.1375	217.1314	CAR(3:0)	8.31
C3-DC carnitine	C10H17NO6	248.1121	247.1056	CAR(DC3:0)	9.37
C3-DC-CH3 carnitine	C11H19NO6	262.128	261.1212	CAR(DC3:0(2Me))	8.51
C4 carnitine	C11H21NO4	232.1534	231.1471	CAR(4:0)	7.99
C4-OH carnitine	C11H21NO5	248.1485	247.142	CAR(4:0(OH))	8.83
C5 carnitine	C12H23NO4	246.1692	245.1627	CAR(5:0)	7.76
C5-DC carnitine	C12H21NO6	276.1435	275.1369	CAR(DC5:0)	8.34
C6 carnitine	C13H25NO4	260.1851	259.1784	CAR(6:0)	7.55
C7 carnitine	C14H27NO4	274.2008	273.194	CAR(7:0)	7.45
C8 carnitine	C15H29NO4	288.2162	287.2097	CAR(8:0)	7.34
C9 carnitine	C16H31NO4	302.2318	301.2253	CAR(9:0)	7.23
C10 carnitine	C17H33NO4	316.2473	315.241	CAR(10:0)	7.12
C12 carnitine	C19H37NO4	344.2784	343.2723	CAR(12:0)	6.93
C12:1 carnitine	C19H35NO4	342.2628	341.2566	CAR(12:1)	6.98
C14 carnitine	C21H41NO4	372.3096	371.3036	CAR(14:0)	6.79
C14:1 carnitine	C21H39NO4	370.294	369.2879	CAR(14:1)	6.78
C14:2 carnitine	C21H37NO4	368.2784	367.2723	CAR(14:2)	6.84
C16 carnitine	C23H45NO4	400.3409	399.3349	CAR(16:0)	6.68
C16-OH carnitine	C23H45NO5	416.336	415.3298	CAR(16:0(OH))	7.09
C18 carnitine	C25H49NO4	428.3723	427.3662	CAR(18:0)	6.55
C18:1 carnitine	C25H47NO4	426.3567	425.3505	CAR(18:1)	6.59
C18:1-OH carnitine	C25H47NO5	442.3517	441.3454	CAR(18:1(OH))	7.02
C18:2 carnitine	C25H45NO4	424.3409	423.3349	CAR(18:2)	6.63
C20 carnitine	C27H53NO4	456.4039	455.3975	CAR(20:0)	6.44
C20:4 carnitine	C31H54NO4	448.3408	447.3349	CAR(20:4)	6.51
C26 carnitine	C33H65NO4	540.4991	539.4914	CAR(26:0)	6.24
carnosine	C9H14N4O3	227.1126	226.1066	Carnosine	9.72
C-glycosyltryptophan	C17H22N2O7	367.1488	366.1427	C-Glycosyltryptophan	7.07
choline	C5H14NO	104.107	104.1075	Choline	8.28
citrulline	C6H13N3O3	176.1019	175.0957	Citrulline	8.3
creatine	C4H9N3O2	132.0767	131.0695	Creatine	8.28
creatinine	C4H7N3O	114.0664	113.0589	Creatinine	6.48
cyclohexylamine	C6H13N	100.1121	99.1048	Cyclohexylamine	6.44
cytidine	C9H13N3O5	244.092	243.0855	Cytidine	5.85
cytosine	C4H5N3O	112.0507	111.0433	Cytosine	6
dimethylglycine	C4H9NO2	104.0707	103.0633	Dimethylglycine	8.52
DMGV	C8H15N3O3	202.1172	201.111342	DMGV	7.76
ectoine	C6H10N2O2	143.0811	142.0742	Ectoine	8.89
GABA	C4H9NO2	104.0707	103.0633	gamma-Aminobutyric acid	7.52
glutamate	C5H9NO4	148.0599	147.0532	Glutamic acid	7.55
glutamine	C5H10N2O3	147.0759	146.0691	Glutamine	7.98
glutathione reduced	C10H17N3O6S	308.0902	307.0838	Glutathione	7.8
glycine	C2H5NO2	76.0393	75.032	Glycine	7.88
glycocholate	C26H43NO6	466.3152	465.309	Glycocholic acid	5.24
glycodeoxycholate/glycochenodeoxycholate	C26H43NO5	450.3205	449.3141	Glycodeoxycholic acid/Glycochenodeoxycholic acid	4.18
guanidinoacetate	C3H7N3O2	118.0613	117.0538	Guanidoacetic acid	7.82
guanidinosuccinate	C5H9N3O4	176.0656	175.0593	Guanidinosuccinic acid	7.51
guanosine	C10H13N5O5	284.0983	283.0917	Guanosine	5.26
hippurate	C9H9NO3	180.0644	179.0582	Hippuric acid	2.58
histamine	C5H9N3	112.0871	111.0796	Histamine	9.2
histidine	C6H9N3O2	156.0761	155.0695	Histidine	9.15
homoarginine	C7H16N4O2	189.1334	188.1273	Homoarginine	9.16
homocitrulline	C7H15N3O3	190.1173	189.1113	Homocitrulline	8.3
hydroxyproline	C5H9NO3	132.0654	131.0582	Hydroxyproline	7.85
hypotaurine	C2H7NO2S	110.0272	109.0198	Hypotaurine	7.95
imidazole propionate	C6H8N2O2	141.0655	140.058578	Imidazolepropionic acid	7.43
imidazoleacetate	C5H6N2O2	127.0503	126.0429	Imidazoleacetic acid	8.03
inosine	C10H12N4O5	269.0875	268.0808	Inosine	4.85
isoleucine	C6H13NO2	132.1018	131.0946	Isoleucine	7.08
kynurenate	C10H7NO3	190.0486	189.0426	Kynurenic acid	5.21
L-alpha-glutamyl-L-Lysine	C11H21N3O5	276.1547	275.148122	Glu-Lys	9.64
leucine	C6H13NO2	132.1018	131.0946	Leucine	6.96
linoleoyl ethanolamide	C20H37NO2	324.2888	323.2824	Linoleoyl-EA	2
lysine	C6H14N2O2	147.1123	146.1055	Lysine	9.33
methionine	C5H11NO2S	150.0578	149.0511	Methionine	7.01
methionine sulfoxide	C5H11NO3S	166.0524	165.046	Methionine sulfoxide	8.59
methyl N-methylanthranilate	C9H11NO2	166.0854	165.078979	Methyl N-methylanthranilate	1.99
methylguanidine	C2H7N3	74.0712	73.064	Methylguanidine	6.8
methylimidazoleacetate	C6H8N2O2	141.0655	140.0586	Methylimidazoleacetic acid	8.83
methylthioadenosine	C11H15N5O3S	298.0961	297.0896	5'-Methylthioadenosine	4.24
N1-acetylspermidine	C9H21N3O	188.1746	187.1685	N1-Acetylspermidine	9.81
N1-methyl-2-pyridone-5-carboxamide	C7H8N2O2	153.0653	152.0586	N1-Methyl-2-pyridone-5-carboxamide	4.33
N4-acetylcytidine	C11H15N3O6	286.1023	285.0961	N4-Acetylcytidine	4.3
N6,N6,N6-trimethyllysine	C9H20N2O2	189.1586	188.1525	N-6-Trimethyllysine	11.2
N6,N6-dimethyllysine	C8H18N2O2	175.1431	174.136828	N(6),N(6)-Dimethyl-lysine	10.23
N6-acetyllysine	C8H16N2O3	189.1221	188.1161	N6-Acetyllysine	8.35
N6-methyllysine	C7H16N2O2	161.1278	160.1212	N(6)-Methyllysine	9.56
N-acetylaspartate	C6H9NO5	176.0544	175.0481	N-Acetylaspartic acid	4.25
N-acetylglutamine	C7H12N2O4	189.0858	188.0797	N-Acetylglutamine	6.92
N-acetylhistamine	C7H11N3O	154.0968	153.0902	N-Acetylhistamine	7.74
N-acetylhistidine	C8H11N3O3	198.0861	197.08	N-Acetylhistidine	8.43
N-acetylleucine	C8H15NO3	174.1115	173.1052	N-Acetylleucine	2.87
N-acetylmethionine	C7H13NO3S	192.0678	191.0616	N-Acetylmethionine	3.39
N-acetylornithine	C7H14N2O3	175.1067	174.1004	N-Acetylornithine	8.38
N-acetylputrescine	C6H14N2O	131.1178	130.1106	N-Acetylputrescine	7.93
N-acetyltryptophan	C13H14N2O3	247.1071	246.1004	N-Acetyl-D-tryptophan	2.77
N-alpha-acetylarginine	C8H16N4O3	217.1284	216.1222	N-Acetylarginine	8.14
N-carbamoyl-beta-alanine	C4H8N2O3	133.0607	132.0535	Ureidopropionic acid	4.11
niacinamide	C6H6N2O	123.0555	122.048	Niacinamide	3.81
N-lauroylglycine	C14H27NO3	258.2058	257.199094	N-Lauroylglycine	2.41
N-methylproline	C6H11NO2	130.0862	129.078979	N-Methyl-proline	8.61
NMMA	C7H16N4O2	189.1334	188.1273	Targinine	9.38
ornithine	C5H12N2O2	133.0971	132.0899	Ornithine	9.22
oxypurinol	C5H4N4O2	153.0401	152.0334	Oxypurinol	3.68
pantothenate	C9H17NO5	220.1168	219.1107	Pantothenic acid	3
phenylacetylglutamine	C13H16N2O4	265.1176	264.111	alpha-N-Phenylacetylglutamine	4.55
phenylacetylglycine	C10H11NO3	194.0799	193.0739	Phenylacetylglycine	2.69
phenylalanine	C9H11NO2	166.0855	165.079	Phenylalanine	6.7
phosphocholine	C5H14NO4P	184.0722	183.066	Choline phosphate	10.76
pipecolate	C6H11NO2	130.0862	129.079	Pipecolic acid	7.97
pro-gly	C7H12N2O3	173.0911	172.084793	Pro-Gly	8.44
proline	C5H9NO2	116.0708	115.0633	Proline	8.09
proline-betaine	C7H13NO2	144.1015	143.0946	Proline betaine	9.25
pseudouridine	C9H12N2O6	245.0762	244.0695	Pseudouridine	4.12
pterin	C6H5N5O	164.0561	163.0494	Pterin	4.72
putrescine	C4H12N2	89.1073	88.1	Putrescine	9.36
S-adenosylhomocysteine	C14H20N6O5S	385.1278	384.1216	S-Adenosylhomocysteine	8.09
S-adenosylmethionine	C15H23N6O5S	399.1434	399.1451	S-Adenosylmethionine	10.09
sarcosine	C3H7NO2	90.055	89.0477	Sarcosine	8.09
SDMA	C8H18N4O2	203.1491	202.143	Symmetric dimethyl-arginine	9.62
serine	C3H7NO3	106.05	105.0426	Serine	7.62
serotonin	C10H12N2O	177.1012	176.095	Serotonin	6.28
S-methyl-L-cysteine-S-oxide	C4H9NO3S	152.0381	151.030316	S-Methylcysteine S-oxide	8.56
taurine	C2H7NO3S	126.0221	125.0147	Taurine	6.04
thiamine	C12H17N4OS	265.1112	265.1123	Thiamine	9.75
threonine	C4H9NO3	120.0658	119.0582	Threonine	7.53
trigonelline	C7H7NO2	138.0546	137.0477	Trigonelline	8.87
trimethylamine-N-oxide	C3H9NO	76.0757	75.0684	Trimethylamine N-oxide	8.09
trimethylbenzene	C9H12	121.1015	120.0939	Trimethylbenzene	1.66
tryptophan	C11H12N2O2	205.0959	204.0899	Tryptophan	6.48
tyrosine	C9H11NO3	182.0801	181.0739	Tyrosine	6.78
urate	C5H4N4O3	169.0348	168.0283	Uric acid	4.12
urocanate	C6H6N2O2	139.0499	138.0429	Urocanic acid	4.59
valine	C5H11NO2	118.0865	117.079	Valine	7.39
vitamin A	C20H30O	269.2258	286.2297	Retinol	1.58
xanthine	C5H4N4O2	153.0401	152.0334	Xanthine	3.72
xanthosine	C10H12N4O6	285.0823	284.0757	Xanthosine	4.3
C14:0 LPC	C22H46NO7P	468.3075	467.3012	LPC(14:0)	7.87
C16:1 LPC	C24H48NO7P	494.3234	493.3168	LPC(16:1)	7.79
C16:0 LPC	C24H50NO7P	496.3391	495.3325	LPC(0:0/16:0)	7.74
C18:3 LPC	C26H48NO7P	518.3212	517.3168	LPC(18:3)	7.75
C18:2 LPC A	C26H50NO7P	520.3394	519.3325	LPC(0:0/18:2)_hp_a	7.63
C18:2 LPC B	C26H50NO7P	520.3394	519.3325	LPC(0:0/18:2)_hp_b	7.73
C18:1 LPC	C26H52NO7P	522.3553	521.3481	LPC(18:1)	7.67
C18:0 LPC	C26H54NO7P	524.3707	523.3638	LPC(18:0)	7.62
C20:4 LPC	C28H50NO7P	544.3398	543.3325	LPC(20:4)	7.52
C20:3 LPC	C28H52NO7P	546.3531	545.3481	LPC(20:3)	7.64
C20:1 LPC	C28H56NO7P	550.3866	549.3794	LPC(20:1)	7.53
C22:6 LPC	C30H50NO7P	568.3379	567.3325	LPC(22:6)	7.49
C22:5 LPC	C30H52NO7P	570.354	569.3481	LPC(22:5)	7.49
C22:4 LPC	C30H54NO7P	572.3695	571.3638	LPC(22:4)	7.45
C24:0 LPC	C32H66NO7P	608.4638	607.4577	LPC(24:0)	7.32
C18:1 LPC plasmalogen A	C26H54NO6P	508.3755	507.3689	LPC(P-18:0)/LPC(O-18:1)_hp_a	7.77
C18:1 LPC plasmalogen B	C26H54NO6P	508.3761	507.3689	LPC(P-18:0)/LPC(O-18:1)_hp_b	7.45
C16:0 LPE	C21H44NO7P	454.2919	453.2855	LPE(16:0)	6.26
C18:3 LPE	C23H42NO7P	476.2739	475.2699	LPE(18:3)	6.26
C18:2 LPE	C23H44NO7P	478.2921	477.2855	LPE(18:2)	6.17
C18:1 LPE	C23H46NO7P	480.3078	479.3012	LPE(18:1)	6.22
C18:0 LPE A	C23H48NO7P	482.3233	481.3168	LPE(18:0)_hp_a	6.19
C18:0 LPE B	C23H48NO7P	482.3233	481.3168	LPE(18:0)_hp_b	7.8
C20:4 LPE	C25H44NO7P	502.2923	501.2855	LPE(20:4)	6.11
C20:0 LPE	C25H52NO7P	510.3548	509.3481	LPE(20:0)	7.67
C22:6 LPE	C27H44NO7P	526.2925	525.2855	LPE(22:6)	6.09
C30:0 PC	C38H76NO8P	706.5338	705.5309	PC(30:0)	6.71
C32:2 PC	C40H76NO8P	730.5342	729.5309	PC(32:2)	6.69
C34:4 PC	C42H76NO8P	754.5318	753.5309	PC(34:4)	6.61
C34:3 PC	C42H78NO8P	756.5472	755.5465	PC(34:3)	6.62
C36:2 PC	C44H84NO8P	786.5945	785.5935	PC(36:2)	6.61
C34:3 PC plasmalogen	C42H80NO7P	742.5679	741.5672	PC(P-34:2)/PC(O-34:3)	6.71
C36:5 PC plasmalogen	C44H80NO7P	766.5681	765.5672	PC(P-36:4)/PC(O-36:5)	6.49
C38:7 PC plasmalogen	C46H80NO7P	790.5695	789.5672	PC(P-38:6)/PC(O-38:7)	6.45
C38:6 PC plasmalogen	C46H82NO7P	792.5843	791.5829	PC(P-38:5)/PC(O-38:6)	6.43
C34:2 PE	C39H74NO8P	716.5181	715.5152	PE(34:2)	5.48
C34:0 PE	C39H78NO8P	720.5498	719.5465	PE(34:0)	6.7
C36:4 PE	C41H74NO8P	740.5187	739.5152	PE(36:4)	5.42
C36:2 PE	C41H78NO8P	744.5499	743.5465	PE(36:2)	5.46
C38:6 PE	C43H74NO8P	764.5163	763.5152	PE(38:6)	5.4
C38:4 PE	C43H78NO8P	768.5473	767.5465	PE(38:4)	5.38
C40:6 PE	C45H78NO8P	792.5479	791.5465	PE(40:6)	5.36
C34:3 PE plasmalogen	C39H74NO7P	700.523	699.5203	PE(P-34:2)/PE(O-34:3)	5.46
C34:2 PE plasmalogen	C39H76NO7P	702.5391	701.5359	PE(P-34:1)/PE(O-34:2)	5.45
C36:5 PE plasmalogen	C41H74NO7P	724.5234	723.5203	PE(P-36:4)/PE(O-36:5)	5.36
C38:7 PE plasmalogen	C43H74NO7P	748.5213	747.5203	PE(P-38:6)/PE(O-38:7)	5.34
C38:6 PE plasmalogen	C43H76NO7P	750.5369	749.5359	PE(P-38:5)/PE(O-38:6)	5.33
C38:5 PE plasmalogen	C43H78NO7P	752.5524	751.5516	PE(P-38:4)/PE(O-38:5)	5.33
C40:7 PE plasmalogen	C45H78NO7P	776.5529	775.5516	PE(P-40:6)/PE(O-40:7)	5.31
C36:3 PS plasmalogen	C42H78NO9P	772.543	771.5414	PS(P-36:2)/PS(O-36:3)	6.71
C36:2 PS plasmalogen	C42H80NO9P	774.5586	773.5571	PS(P-36:1)/PS(O-36:2)	6.72
C14:0 SM	C37H75N2O6P	675.5384	674.5363	SM(d18:1/14:0)	7.25
C16:1 SM	C39H77N2O6P	701.5547	700.5519	SM(d18:1/16:1)	7.21
C16:0 SM	C39H79N2O6P	703.5702	702.5676	SM(d18:1/16:0)	7.19
C18:1 SM	C41H81N2O6P	729.5866	728.5832	SM(d18:1/18:1)	7.13
C18:0 SM	C41H83N2O6P	731.6022	730.5989	SM(d18:1/18:0)	7.12
C20:0 SM	C43H87N2O6P	759.6313	758.6302	SM(d18:1/20:0)	7.06
C22:1 SM	C45H89N2O6P	785.6477	784.6458	SM(d18:1/22:1)	7.01
C22:0 SM	C45H91N2O6P	787.6628	786.6615	SM(d18:1/22:0)	7
sphingosine	C18H37NO2	300.2888	299.2824	Sphingosine	5.78
phytosphingosine	C18H39NO3	318.2992	317.293	Phytosphingosine	5.88
sphinganine	C18H39NO2	302.3043	301.2981	Sphinganine	5.8
C16:0 Ceramide (d18:1)	C34H67NO3	538.5192	537.5121	Cer(d18:1/16:0)	1.88
C24:1 ceramide (d18:1)	C42H83NO3	648.6259	649.6373	Cer(d18:0/24:1)	1.82
METABOLITES_END
#END