#METABOLOMICS WORKBENCH efahy_20230425_000092 DATATRACK_ID:3989 STUDY_ID:ST002674 ANALYSIS_ID:AN004346 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 Small
ST:STUDY_TITLE                   	Intestine Powder - Untargeted HILIC-Positive
ST:STUDY_SUMMARY                 	The goal of the endurance exercise training study in young adult rats (internal
ST:STUDY_SUMMARY                 	code: PASS1B-06) was to perform exercise training studies in adult (6 month)
ST:STUDY_SUMMARY                 	F344 rats, and from these rats collect as many tissues as feasible in order to
ST:STUDY_SUMMARY                 	provide high quality samples for detailed analysis by chemical analysis sites.
ST:STUDY_SUMMARY                 	Tissues were collected from 10-12 rats sedentary control rats concurrent with
ST:STUDY_SUMMARY                 	the collection of the 8-week training groups. The 8-week training group and
ST:STUDY_SUMMARY                 	controls were from the same cohort and same age at euthanasia (either 8). For
ST:STUDY_SUMMARY                 	the older age group, an additional set of controls (n=5-6) were collected with
ST:STUDY_SUMMARY                 	the 1-2 week training group. Rats were either sedentary or underwent an exercise
ST:STUDY_SUMMARY                 	training program. Rats were exercised on the rodent treadmill 5 days per week
ST:STUDY_SUMMARY                 	using a progressive training protocol designed to exercise the rats at
ST:STUDY_SUMMARY                 	approximately 70% of VO2max as outlined in the Table on the next page. Training
ST:STUDY_SUMMARY                 	was performed no earlier than 10:00 am and no later than 5:00 pm over 5
ST:STUDY_SUMMARY                 	consecutive days per week. Training was initiated with the treadmill set at 70%
ST:STUDY_SUMMARY                 	of VO2 max (see tables) and 5 degrees grade for 20 minutes. The duration of
ST:STUDY_SUMMARY                 	exercise was increased by one minute each day until day 31 of training (start of
ST:STUDY_SUMMARY                 	week 7), when a duration of 50 min was reached. Speed and grade of each training
ST:STUDY_SUMMARY                 	session increased in larger increments due to treadmill parameters. The highest
ST:STUDY_SUMMARY                 	intensity and duration of training began on day 31. This intensity was
ST:STUDY_SUMMARY                 	maintained for the final 10 days of the protocol to ensure steady state had been
ST:STUDY_SUMMARY                 	achieved. If any rats were unable to perform at least 4 days of training per
ST:STUDY_SUMMARY                 	week they were removed from the study and euthanized. It is important to note
ST:STUDY_SUMMARY                 	that the starting treadmill speed varied depending on the sex and age of the
ST:STUDY_SUMMARY                 	rat. The initial and maximum speeds were based on VO2max measurements obtained
ST:STUDY_SUMMARY                 	during the pre-training testing of the compliant rats. Rats assigned to the
ST:STUDY_SUMMARY                 	control group followed a schedule similar to the training group. They were
ST:STUDY_SUMMARY                 	placed in one lane on the treadmill for 15 minutes/day, 5 days per week. The
ST:STUDY_SUMMARY                 	treadmill was set at 0 m/min at an incline that corresponded to the incline
ST:STUDY_SUMMARY                 	being used by the training group.
ST:INSTITUTE                     	Broad Institute
ST:DEPARTMENT                    	Metabolomics Platform
ST:LABORATORY                    	Clish
ST:LAST_NAME                     	Clish
ST:FIRST_NAME                    	Clary
ST:ADDRESS                       	415 Main St, Cambridge, MA 02142
ST:EMAIL                         	clary@broadinstitute.org
ST:PHONE                         	(617) 714-7654
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Rattus norvegicus
SU:TAXONOMY_ID                   	10116
#SUBJECT_SAMPLE_FACTORS:          	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA01	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0288m_MoTrPAC_PASS1B_HP-PREFA01.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB01	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0288n_MoTrPAC_PASS1B_HP-PREFB01.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed01	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0288o_MoTrPAC_PASS1B_HP-Sed01-SMA.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed02	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0288p_MoTrPAC_PASS1B_HP-Sed02-SMA.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE01	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0288q_MoTrPAC_PASS1B_HP-IPE01-SMA.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE02	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0288r_MoTrPAC_PASS1B_HP-IPE02-SMA.raw
SUBJECT_SAMPLE_FACTORS           	BC49E4EF-E2FE-4269-BAF0-461F768BD95D	90217016703	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0289_MoTrPAC_PASS1B_HP-90217016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	0BD282C7-7832-4581-9089-08A32D557034	90218016703	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0290_MoTrPAC_PASS1B_HP-90218016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	955498F4-70A0-4D50-A2BA-619A8FED8FEF	90222016703	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0291_MoTrPAC_PASS1B_HP-90222016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	CFE06932-9314-4BCC-B2D9-73883D5FCDFB	90223016703	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0292_MoTrPAC_PASS1B_HP-90223016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	3719CB62-B551-49BE-94A0-E51DFE13D30D	90225016703	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0293_MoTrPAC_PASS1B_HP-90225016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	F65955CE-E49F-48C7-B861-02A2FDF6F9B8	90227016703	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0294_MoTrPAC_PASS1B_HP-90227016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	0559B193-BED3-4170-B045-10A2B6441CB6	90229016703	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0295_MoTrPAC_PASS1B_HP-90229016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	90CFE5A4-76FE-4458-A2B1-A66F0B60118E	90232016703	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0296_MoTrPAC_PASS1B_HP-90232016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	F0D83B29-8EFA-4CDE-B1AA-2358AC220ECF	90237016703	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0297_MoTrPAC_PASS1B_HP-90237016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	FCE9ABE6-B60B-4934-BAE5-56AF8B11ECEC	90239016703	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0298_MoTrPAC_PASS1B_HP-90239016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	1628FB23-6F66-47D4-8D82-63C87726F0FD	90245016703	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0299_MoTrPAC_PASS1B_HP-90245016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	69FD4884-786D-4F2A-97B1-6174FBD25D60	90248016703	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0300_MoTrPAC_PASS1B_HP-90248016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	0D5071F5-D166-4CF1-BE8B-EB4DF6E04C0E	90251016703	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0301_MoTrPAC_PASS1B_HP-90251016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	07AF7369-F082-4CA7-99D5-D973F4A162C9	90252016703	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0302_MoTrPAC_PASS1B_HP-90252016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	2479BEE5-2A38-4D09-B15B-B1715F561A9F	90254016703	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0303_MoTrPAC_PASS1B_HP-90254016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	0A4A7935-3AF4-463F-84E3-DCF07671509D	90258016703	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0304_MoTrPAC_PASS1B_HP-90258016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	04C84D7E-FC8C-422F-AE4B-CAFADB63407B	90259016703	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0305_MoTrPAC_PASS1B_HP-90259016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	F9BEE1FA-E2DB-4BE4-A79C-99D585D6FD17	90265016703	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0306_MoTrPAC_PASS1B_HP-90265016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	A77AC89A-1D9E-4516-9DA4-2BE99C8126EF	90266016703	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0307_MoTrPAC_PASS1B_HP-90266016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	2B969165-1A52-43AA-8FD9-39AFA62F094F	90267016703	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0308_MoTrPAC_PASS1B_HP-90267016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA02	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0308a_MoTrPAC_PASS1B_HP-PREFA02.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB02	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0308b_MoTrPAC_PASS1B_HP-PREFB02.raw
SUBJECT_SAMPLE_FACTORS           	22D700B9-EDD0-4BC8-8155-EB9C39417F81	90280016703	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0309_MoTrPAC_PASS1B_HP-90280016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	1CA4210C-3CE6-4A5A-996B-673EBDEB3B81	90281016703	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0310_MoTrPAC_PASS1B_HP-90281016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	9F3E1040-D409-421E-B635-2572DC20ED89	90283016703	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0311_MoTrPAC_PASS1B_HP-90283016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	569A9229-04E8-414A-A195-FE9E8F1B66AB	90289016703	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0312_MoTrPAC_PASS1B_HP-90289016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	E4271AF1-899A-4A65-9D8D-BF18CEE3F1CF	90292016703	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0313_MoTrPAC_PASS1B_HP-90292016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	2E37478F-525F-4E5E-A882-EE75FD0CFB29	90406016703	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0314_MoTrPAC_PASS1B_HP-90406016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	A9CE3E3D-31A0-4443-8A7F-8FD831D79248	90410016703	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0315_MoTrPAC_PASS1B_HP-90410016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	3D5BC47C-BB3D-45A2-8DB8-D7ADCD51997C	90412016703	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0316_MoTrPAC_PASS1B_HP-90412016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	89D6F615-D17C-4EB9-88EB-A602940FF179	90416016703	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0317_MoTrPAC_PASS1B_HP-90416016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6	90420016703	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0318_MoTrPAC_PASS1B_HP-90420016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	6D680EA2-C62B-4A35-8B6E-2ED6A79CB017	90421016703	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0319_MoTrPAC_PASS1B_HP-90421016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	53F914B0-FD4F-4340-84A6-48341EAB3798	90422016703	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0320_MoTrPAC_PASS1B_HP-90422016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	D350D633-8D95-4783-99F2-BB8294D2EC32	90423016703	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0321_MoTrPAC_PASS1B_HP-90423016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	0DBFEB04-1B58-43CF-BAFD-9AA9915B67F6	90426016703	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0322_MoTrPAC_PASS1B_HP-90426016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	10E282EB-1DBA-406E-BD5D-81027083A01D	90430016703	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0323_MoTrPAC_PASS1B_HP-90430016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	4E974304-21EB-42E8-A729-A7FB6B406E64	90439016703	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0324_MoTrPAC_PASS1B_HP-90439016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	6527EC12-E7EB-4F17-BF0A-0AC7CD1819A0	90441016703	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0325_MoTrPAC_PASS1B_HP-90441016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	AEB1611A-F29E-43F8-B9F3-A2BC4F9EB504	90444016703	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0326_MoTrPAC_PASS1B_HP-90444016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	FDA87A8D-3634-4C42-9A1A-0EA03B58BB01	90449016703	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0327_MoTrPAC_PASS1B_HP-90449016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	CDCFA3F1-07ED-4737-A36D-15EFEC325AA5	90450016703	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0328_MoTrPAC_PASS1B_HP-90450016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA03	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0328a_MoTrPAC_PASS1B_HP-PREFA03.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB03	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0328b_MoTrPAC_PASS1B_HP-PREFB03.raw
SUBJECT_SAMPLE_FACTORS           	B73AB139-7210-4498-9CCF-E1DBE6EBA71C	90559016703	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0329_MoTrPAC_PASS1B_HP-90559016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	EA5C8932-9325-4DA5-96BB-50CD49CEDD10	90560016703	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0330_MoTrPAC_PASS1B_HP-90560016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	0645F621-878C-4C9B-84A6-58862BAA17D9	90564016703	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0331_MoTrPAC_PASS1B_HP-90564016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	68083256-8DAA-4185-B446-0CAF600474B5	90567016703	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0332_MoTrPAC_PASS1B_HP-90567016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	6A013AA1-4D1E-4B75-B691-6BA22D928E51	90571016703	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0333_MoTrPAC_PASS1B_HP-90571016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E	90576016703	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0334_MoTrPAC_PASS1B_HP-90576016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	DC8B35E8-4AA8-4829-8569-F223D069620C	90578016703	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0335_MoTrPAC_PASS1B_HP-90578016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	8904857C-2073-4BBA-AC7C-1EC239E5BFF7	90581016703	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0336_MoTrPAC_PASS1B_HP-90581016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	1F9BD644-303F-43E7-94BE-FF6654306F5E	90585016703	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0337_MoTrPAC_PASS1B_HP-90585016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	0409BED3-F9FE-4C06-9920-74F5E5CA04A3	90587016703	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0338_MoTrPAC_PASS1B_HP-90587016703-SMA.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed03	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0338a_MoTrPAC_PASS1B_HP-Sed03-SMA.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed04	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0338b_MoTrPAC_PASS1B_HP-Sed04-SMA.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE03	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0338c_MoTrPAC_PASS1B_HP-IPE03-SMA.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE04	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0338d_MoTrPAC_PASS1B_HP-IPE04-SMA.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA04	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0338e_MoTrPAC_PASS1B_HP-PREFA04.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB04	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0338f_MoTrPAC_PASS1B_HP-PREFB04.raw
#COLLECTION
CO:SAMPLE_TYPE                   	Small intestine
#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               	ST002674_AN004346_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	90217016703	90218016703	90222016703	90223016703	90225016703	90227016703	90229016703	90232016703	90237016703	90239016703	90245016703	90248016703	90251016703	90252016703	90254016703	90258016703	90259016703	90265016703	90266016703	90267016703	QC_PREFA02	QC_PREFB02	90280016703	90281016703	90283016703	90289016703	90292016703	90406016703	90410016703	90412016703	90416016703	90420016703	90421016703	90422016703	90423016703	90426016703	90430016703	90439016703	90441016703	90444016703	90449016703	90450016703	QC_PREFA03	QC_PREFB03	90559016703	90560016703	90564016703	90567016703	90571016703	90576016703	90578016703	90581016703	90585016703	90587016703	QC_Sed03	QC_Sed04	QC_IPE03	QC_IPE04	QC_PREFA04	QC_PREFB04
phenylalanine-d8	854421	853857	781728	770333	770553	766648	1003769	877824	897964	816286	826504	800685	796622	940333	847896	842230	978812	876885	774233	840942	781618	880170	820352	815674	1014801	854548	854421	853677	918510	790917	781422	756386	823361	802237	781233	787606	779211	809513	866419	873476	860006	828078	741515	816879	791547	693587	817645	926844	854421	872304	974356	1044354	1008502	1072699	779446	906237	912907	776762	727270	802807	641404	654654	775432	782005	854421	890862
valine-d8	469233	468369	449954	439813	452446	453705	516168	496679	481987	472794	476803	483195	477728	483628	477978	474747	444708	471339	467372	474728	469184	486113	479170	467784	521059	515023	469233	477915	505972	448814	463950	453976	500361	445019	466372	485375	459037	477042	475303	470332	484947	477480	447339	461322	445833	412292	476083	507453	469233	467741	509182	483593	486624	558590	450636	479295	469281	426762	402623	433534	382682	382831	454950	448850	469233	478260
1-methyladenosine	63676	58286	38266	34835	46976	47907	49606	56459	57559	51211	42187	53098	47211	45759	55146	44548	64738	81807	74830	63689	65566	85531	68223	72193	81381	77818	63676	66390	48868	57486	57026	53045	56043	79989	72710	47142	82729	67322	47125	50811	45608	63745	48799	53051	57687	43845	53941	62632	63676	61574	63858	70727	75303	83779	71615	66288	69762	93625	84288	87679	36465	38102	45244	43722	63676	61805
1-methylguanine	603	505	585	425	407	461	1084	471	603	368	256	38	71	1236	789	751	1502	1519	212	253	69	935	299	551	954	270	603	774	1431	849	187	nan	267	1905	528	148	607	106	697	683	670	790	335	363	728	134	704	784	603	634	1117	1574	897	788	476	571	758	436	569	437	297	279	395	384	603	654
1-methylguanosine	90380	90983	178473	181707	65723	64841	121998	82198	86647	71632	57549	36061	23249	108510	89204	93309	92371	163401	32340	23629	20136	195705	72831	195496	138953	43174	90380	90280	183691	132077	21970	44512	102175	224175	66264	81871	125406	76439	91811	111409	303188	94150	84930	121009	96963	54690	118230	107607	90380	96342	125768	169130	74057	83617	58341	66728	125829	38506	85405	41275	120354	120030	70114	69270	90380	94346
1-methylhistamine	330276	332770	374710	366339	268953	261466	111220	203249	177539	316070	128615	311112	298273	339695	304055	212665	819573	342053	290436	309313	275031	171574	157184	378171	550770	362438	330276	329002	227376	402601	259708	268891	257951	177410	192560	91197	234833	166576	279042	736003	323752	583965	433805	161858	325119	249785	251282	318143	330276	336186	143449	698667	1333618	253330	485609	179116	331810	330043	287429	566033	235422	233917	212359	212768	330276	327452
1-methylnicotinamide	781707	786099	704480	723474	986804	964083	440713	616963	615629	676971	638926	807298	811859	818964	716881	627140	549489	773770	1150693	975248	993735	1237006	770293	772037	916091	1046502	781707	788173	589401	880636	919669	859124	835707	904044	695491	520907	878857	755622	765961	754336	793907	1073398	646476	674413	675222	684037	639035	941120	781707	795350	719760	441325	597676	1123415	1004662	907477	821021	860616	986684	920382	678126	669358	868711	858530	781707	790673
2'-deoxyadenosine	12682	11902	12179	12415	10396	10768	6184	9274	7035	5992	4045	7841	6906	17030	11039	8767	32139	14925	10955	8959	12781	16781	15214	31691	21993	22191	12682	13464	10459	12841	10866	13551	7095	10235	6826	4109	10051	7749	7317	9962	8988	10869	8607	8533	8533	6862	10690	11181	12682	11870	18507	19219	32341	14073	24191	20383	20501	12831	13250	15209	10763	10627	8973	9408	12682	13075
2'-deoxycytidine	472942	464136	599326	602432	663507	646092	458870	463719	454644	442563	303878	425905	516198	592825	453751	404370	480049	465497	501725	509499	528556	489382	393861	444874	549622	477460	472942	472483	432875	526849	550509	472833	449480	519930	406905	231760	410692	333518	471545	641905	463111	633154	523070	499119	564465	425954	495016	622015	472942	484324	469701	503432	487924	389710	523870	482811	429516	424769	411849	532092	494117	520350	608189	609196	472942	443506
3-methylhistidine	238972	234865	326391	315790	479522	479769	571162	318068	257416	269629	204133	252505	266753	434307	260351	209430	274624	218978	187979	156424	168114	215535	155586	179980	261389	171638	238972	236518	309917	314123	318181	237971	255653	196356	141050	105588	178534	134962	266808	452499	296964	303771	244163	267323	463412	184963	254283	347927	238972	237111	201044	239405	288711	178490	185908	182360	190389	154207	147429	184040	235649	240261	420511	402370	238972	230348
4-acetamidobutanoate	14421	15405	29405	28924	24478	24585	11461	11420	10904	12303	9249	11531	10277	12942	13134	10112	14410	18657	11131	11778	11387	17370	14175	17774	19859	17205	14421	14867	11079	13854	9973	9976	13118	17291	12440	8220	13120	12251	11855	14879	16806	14694	9968	14708	10347	9294	12609	16501	14421	14748	18966	18242	24458	43257	16353	13710	16936	24284	14466	13510	22029	22319	20925	20409	14421	14170
4-guanidinobutanoate	303964	295427	918741	897303	444617	449687	434181	259507	248859	343714	263247	336452	107888	220467	420342	339244	310876	426861	123913	86227	111510	678296	391259	876304	383178	320759	303964	302344	176786	334292	59493	212056	369702	435228	289966	232667	264407	316947	235019	456229	761607	366381	246537	227351	305002	112238	384169	426753	303964	299164	165763	343342	132884	578804	202440	181412	501276	135407	350615	158966	770770	773533	357134	357333	303964	305129
5-hydroxytryptophol	nan	nan	2875	3328	5583	5302	2522	755	273	4262	1006	7723	3517	nan	nan	1284	1443	nan	8693	8742	4081	nan	nan	812	7520	5714	2921	3908	nan	2239	2904	4054	5062	nan	4047	2655	4406	3560	462	4571	2878	2542	3672	4027	3344	3973	1092	3097	2921	3949	3323	2719	4259	6484	5353	5400	318	2424	1829	3251	3009	3218	3949	3660	2921	2593
5-methylcytidine	101883	99643	149915	143218	171325	163117	83401	94689	91109	97051	63987	103656	104461	120755	105165	76752	91729	123413	126120	128133	118053	120748	80801	115490	121004	119914	101883	102905	79947	112523	120894	112140	97137	123776	94615	48252	115728	84436	94492	133614	95192	130463	105334	104157	117022	77521	100207	139468	101883	104130	90438	102631	98423	85171	109914	96177	105315	99477	96576	125818	109601	114811	156264	147356	101883	104571
5-methylcytosine	93771	91570	66361	68146	72858	71657	65592	71533	74960	80758	59415	80155	47951	61526	57493	51937	107232	115288	150246	120733	149023	151041	138825	127122	144226	155040	93771	97353	91273	82456	59074	69083	67893	131498	120118	80149	130497	126476	63065	60938	64632	73749	58927	48158	77369	51174	64010	60986	93771	99870	126327	123943	112691	125226	127352	111390	113360	106943	114150	116308	60432	62450	72716	68394	93771	95896
7-methylguanine	55192	55666	53517	52401	71151	70448	46428	46104	47257	37239	29760	37605	35957	68177	51725	33482	93806	83026	49322	43917	44761	75126	49371	49048	76489	56243	55192	56012	47625	50200	38459	26955	42808	87381	51745	26018	59899	35843	52847	68221	54122	55619	40308	41242	44691	30470	49218	69997	55192	57770	64660	87823	100697	162099	65466	53610	91951	106217	52337	68875	36234	40862	60032	56146	55192	55992
acetylcholine	5734	3401	901	1122	1178	2312	1750	704	1492	2120	1190	4537	6541	5725	6184	1322	nan	5586	9610	3101	3700	15023	6796	28866	15963	9207	5734	1667	4576	5370	nan	551	1548	651	2308	5269	10464	9814	19455	nan	1324	11644	4741	2378	15746	5387	2706	835	5734	5898	3605	1293	9182	13659	28546	2559	5395	869	642	3072	1661	2701	2447	3887	5734	1934
acisoga	5554	5439	14542	14051	18584	18891	4400	3573	3756	2790	1072	2318	4133	7048	4158	3130	7156	8456	5909	6155	7051	5966	3419	4378	7659	4711	5554	5182	3872	3565	6159	3129	4111	8174	5568	2720	5269	3860	4338	5725	4789	4032	3334	4400	3683	3376	4929	6319	5554	5970	8459	8802	7324	9903	7100	6114	7869	8665	7073	7021	9964	9878	16090	15836	5554	5255
ADMA	34598858	34828893	25570482	25344115	31980367	31531100	73088919	29093697	33484915	25358182	14248019	19183620	19778559	85008914	32700650	24994224	144564276	45089908	21635546	17755439	19463289	42680571	26365291	38996688	85618364	25606733	34598858	33248612	41023047	28618533	18858251	20086706	19772769	31125850	22872753	15127157	24992875	20244957	33067829	47888069	31043259	37137415	26878223	23876537	25289895	14303516	31701499	36241102	34598858	33728674	47306249	76113604	100414384	29858346	23500574	32313903	39206812	22512898	22453552	27401874	15948510	16362005	25637663	25315905	34598858	36045029
agmatine	10292	11136	5892	6007	1944	1873	2633	1327	3175	3783	3019	5752	1003	1985	5800	4408	5773	5684	894	4138	1433	10915	7019	15230	48384	5908	10292	10541	12623	6197	534	5061	2654	58860	3385	4770	12398	5971	26296	21415	7437	14024	2968	2178	6607	8893	11236	8620	10292	10419	1894	5195	10538	6715	3384	3041	92874	6930	13626	12461	4388	4125	1537	1782	10292	10352
alanine	1776970	1772396	1770215	1795842	1990465	1961250	1888499	1873892	1728596	1549801	1046411	1495701	1346002	2449668	1573351	1247226	2407644	2152226	1452754	1331761	1419446	2190168	1858562	2122014	2719775	1608300	1776970	1774279	1845561	1818774	1476764	1353094	1515196	1983581	1437746	1041686	1793607	1439566	1762242	2239497	1802405	1840749	1531726	1869009	1719331	1134952	1736855	2141492	1776970	1831838	2200103	2780270	2473023	1864792	1447142	1756113	1999002	1591609	1666306	1727025	1380805	1349342	1746229	1771283	1776970	1827938
allantoin	60032	62161	91070	94707	202457	201425	20878	57173	34568	52866	38724	69997	67518	27819	50739	40039	35211	35595	87064	77553	92115	52466	60365	59962	75124	69478	60032	62666	44040	75102	79324	61182	72793	47208	81331	37891	88612	66109	67150	96185	76086	101943	74988	106308	67497	79802	72522	71826	60032	56205	49025	47496	104194	105735	104522	92385	69125	126129	82796	104387	78661	77009	194465	192297	60032	64830
alpha-glycerophosphocholine	88868781	91079556	120694124	119472929	137452630	136195969	75023424	83441485	75922733	71485752	54648519	89839584	83533406	91209358	71955873	65585713	120732760	90703316	98878266	98874555	100428976	90231983	72830048	86322009	87336736	100773725	88868781	87741578	70832056	95404283	93338153	92389524	77395577	98360082	66923082	41229970	79077147	70478401	85218811	114948791	88377409	114763489	91881538	86772346	94714399	75439865	84173816	105558052	88868781	87880733	76887313	81640790	155154870	72532944	100029794	76578383	83981929	83536281	83183073	121780428	102152082	102225488	126227124	123741365	88868781	90222313
anserine	37498	37971	294293	300346	294707	296222	61939	44233	56117	22716	13750	81563	65444	38148	52048	25907	20152	23981	170316	124882	85703	30179	29871	24387	30879	29119	37498	38771	75863	94976	110978	20806	22624	6851	35364	7567	23832	117191	16139	9006	53966	27305	13534	31464	30240	14570	11492	20774	37498	37813	27134	12237	9582	35027	25784	9819	20317	32988	7558	12155	201775	202007	287902	280376	37498	40272
arachidoyl ethanolamide	68662	68510	20536	21443	19400	22671	137905	129559	102687	22061	153556	97803	26465	27514	108226	25562	20737	132725	23834	23655	32713	117745	176101	65342	28478	94921	68662	69348	12691	102557	15083	57587	115783	226236	17448	15807	165109	48445	101306	24354	92682	15274	22894	19799	11015	48320	13749	121938	68662	71189	170383	22632	84238	111726	9591	19537	194768	131455	124275	11805	19968	20322	24431	23098	68662	73628
arginine	3587206	3576669	2069835	2065934	1949888	1935519	11094456	3416003	4432580	2596606	1738927	1209501	1540939	9479720	3927101	3332183	11270787	4442203	1318238	1743155	1345676	4582260	3549983	3594291	9176665	1757121	3587206	3589247	5851013	2541319	1095579	1309681	1324790	3129735	2035335	2838068	1923726	2284499	3951551	3548361	2815554	2815221	2025537	2601982	2787682	1221039	3090969	3356271	3587206	3543726	5791525	6902265	6251785	4153928	1120362	3728568	4621403	2373103	2200925	2521941	1463740	1470529	1847877	1831138	3587206	3614268
asparagine	473412	469022	400732	409084	500020	499080	1072808	490758	498360	342872	240850	295400	312843	832727	425010	306446	938576	670642	305138	422532	269099	554111	470609	530761	1155840	325014	473412	479821	644783	410802	270034	276456	242150	473892	350348	280187	344260	347801	484148	435816	373439	427518	313888	522559	469984	257038	407500	527100	473412	482426	627327	903563	798969	573637	204157	478458	626183	471465	404415	444351	294836	291117	449098	451302	473412	473845
aspartate	707454	712032	818354	820198	741935	733875	799090	761633	811413	632015	451416	652526	642920	856853	732649	502640	717329	694295	899110	724795	813343	740588	648372	633204	839714	847688	707454	701864	603122	665948	929372	731397	590012	681401	837022	414382	678372	620103	728513	796855	641016	933881	761512	720618	809194	622547	624089	907277	707454	698399	701638	770928	718181	629697	664959	763588	588793	670039	520024	800020	657238	633942	639702	636974	707454	722425
beta-alanine	46829284	48924766	52975426	50380908	63107046	66237487	45605020	46985340	43009826	39442771	28456989	45062360	41684248	62094805	42834642	32882964	53024209	58033829	43597372	46663475	37610935	57837649	45026744	56617698	66154213	43293735	46829284	48825636	47453963	53697026	46935577	41841263	43254017	60722239	42656289	25490395	49594934	40517718	46241972	61004364	57011475	62833955	42123618	49547658	47282036	32167245	45137912	60323383	46829284	48612271	46335911	69036739	74632152	42721499	41739591	44202842	50663492	40695146	43533441	53418967	38840435	39915578	52036007	51820944	46829284	47390436
beta-guanidinopropionate	534430	536590	220544	219329	229303	235493	417930	498195	493413	455866	404893	307761	266391	640310	399624	437253	577208	651372	429543	372399	340477	959536	391078	626589	757801	428088	534430	514756	558308	529688	251927	282802	504554	759975	660590	316158	666163	624189	373718	549159	445723	410964	385661	492721	410892	247093	619565	447404	534430	543474	578524	595537	522064	714712	420927	585719	659209	486860	740618	598593	231685	225532	204032	200579	534430	533938
betaine	62847664	63171195	82916214	82655938	74712328	75329144	62244180	61344676	59950851	58033921	51820289	57425527	49592420	63784952	65636983	63199749	63255967	75162925	55144269	53756155	51419636	74960444	66417132	76609491	69852786	60955998	62847664	63102968	55062314	66133557	49489204	55763072	62078791	73114231	60841027	50212191	64130814	63223349	57702559	67061854	72753553	68396874	57983870	60140366	66501566	49614577	65969196	67434965	62847664	62307213	54421562	70464371	61435113	55661973	57590174	50243487	70244820	59209541	61618968	59671214	73671337	72626540	72383289	72656337	62847664	63244738
biliverdin	652222	715845	3441358	4095090	5759153	6680426	1033029	592543	648195	3089955	815683	5790422	3118973	169353	28768	228489	387179	16361	1712319	2310095	864217	4560	46496	565974	2013118	937402	652222	662487	7781	623540	1362914	1094757	859398	nan	533444	580369	789027	1010780	90640	1064528	401105	724732	529359	722306	677588	666482	382689	646610	652222	690669	506372	903653	996694	778884	1018792	829921	113652	264724	336315	729696	980925	985780	1446842	1499415	652222	672419
biopterin	12619	13718	17471	19450	15037	15060	18914	9179	10083	17948	18230	35612	17617	7215	4436	10079	10562	6430	15184	18417	13478	6034	8447	12418	21452	16504	12619	13527	8964	11002	10930	12910	14249	10044	13105	17756	18496	21615	5860	8938	10202	7393	9443	11211	10635	12247	7997	10066	12619	13313	15631	13645	15784	23551	16562	16259	9581	8504	10843	11262	10710	10884	11400	11737	12619	13265
butyrobetaine	4903381	4895831	4608020	4595218	4655212	4626342	5243289	3648178	3538399	3693690	3208933	3745018	2349695	4485348	4272105	4397151	4383324	7923240	3171306	2938922	2374182	9415670	6304675	7394436	5974494	3987275	4903381	4837097	5494199	6210881	2167767	3156126	4136446	7982372	5082549	3518926	6888060	6132959	4216414	4962414	6921116	5329803	4130249	3808506	6516224	2310664	5549327	5237274	4903381	4958170	3966140	7153384	4680889	4680525	5573291	3721148	8583182	3391051	4332043	5774623	3608755	3617711	4012107	3971075	4903381	4763236
N-acetylgalactosamine	240043	234492	210053	207348	144343	144591	303034	281568	231399	267238	128225	127144	111291	536974	247695	228105	695122	231015	96715	120748	76978	274166	215655	271527	427701	127339	240043	233618	271214	269046	69815	84082	210846	192076	165701	111950	194453	149156	250817	401429	253891	217124	211073	190006	138489	129959	231259	196669	240043	245297	305059	455091	716158	196792	251258	307616	338050	136079	203856	217670	137338	140878	138085	135286	240043	243352
carnitine	67520938	67556770	85519212	84032472	89062481	88072393	56592188	72300508	61538032	67039353	55561570	61414401	63656020	76921840	66732930	58463556	73025092	74649772	61000360	54678426	59382055	68232778	53433280	63727930	73210295	60122523	67520938	66109778	70144078	73685096	66888363	64041169	73582800	71080107	55452701	34914379	66304580	54619433	70175598	86232811	66883927	80859395	65614672	75361438	63195794	55112892	80654851	84194524	67520938	67613021	68913687	84521018	77160976	61472074	66763375	64020595	67054619	56698712	64349427	65119392	69243189	68450942	80631518	80554281	67520938	65615635
C2 carnitine	90725510	90787505	108314726	107261187	143271304	141496580	75619413	88000210	89841211	85864157	65122685	83687648	87529977	111930015	89999367	70522525	83456395	103028238	105967095	97963925	95260248	97994143	83687398	88780065	106278299	94244070	90725510	91594570	91834476	104567376	99169581	85280386	86535128	90233762	75948755	50188574	86524662	71807650	87969654	114245675	86446190	108666150	92784654	98742484	95783422	82719795	99408140	118646273	90725510	89396605	82841614	85109624	88047972	83210039	79155430	78765808	82658626	91737051	82370435	97293340	93732515	92295522	123006779	122657826	90725510	90779050
C3 carnitine	3305134	3262993	4081387	4116504	4838506	4913786	2194606	3438183	3162213	3222164	2673152	4223807	4420618	3852043	3092133	2830336	2868664	3253331	4382932	3332470	4932539	3225976	2851875	3772330	3468867	5072157	3305134	3327246	3087605	3542196	4891382	4482881	3254536	2711037	2423980	1671315	2894246	2560419	3057629	4500841	2985353	4132917	3249869	3238791	3549956	2903471	3597524	4196215	3305134	3371908	3448879	2730992	2930265	2793095	3571298	2917400	2300730	3947429	2919561	3537937	3804548	3794085	4593836	4599682	3305134	3325313
C3-DC carnitine	2656	2496	2492	2551	3290	3006	2338	2442	2146	1763	1452	1715	2146	3467	2446	1813	3296	3483	2168	2411	2022	2783	2246	2111	3192	1871	2656	2707	3368	3002	2502	2111	2963	3320	1856	1394	2654	2385	3358	4651	3717	3834	3043	4474	2722	2490	3202	4391	2656	2989	3546	4489	3807	2879	2669	2935	3327	2709	2762	3246	1880	1957	2893	3032	2656	2652
C3-DC-CH3 carnitine	33553	34510	87433	87315	102523	102802	21253	41610	31886	41778	32003	30395	23804	39587	32455	26620	37275	41479	31422	18906	25757	46176	27355	32622	42978	34071	33553	36992	41358	42665	27382	24921	41358	40633	35337	16707	52892	40744	30436	46474	42230	41643	34614	54597	33735	21841	44739	50260	33553	34218	34088	59361	33002	46905	30187	30219	31011	21221	34939	30986	62241	62180	83727	82484	33553	32936
C4 carnitine	9288052	9163688	12318608	12121270	20394743	20129458	10374685	8279197	11784105	8849830	6968291	9688813	8820467	12509419	8472511	6401673	7141410	10909628	11568309	13030451	11093435	10610607	8613518	12195715	12256975	17746300	9288052	9387317	9271621	11287904	9982564	12590202	8593930	9644444	7377489	4072718	8091903	8154319	8191650	12621917	8523451	11952408	8113597	8425318	7872869	5901682	10787116	12066233	9288052	9271320	9076291	6856138	6894234	7391837	7345006	7952432	8121670	6635931	7537626	8052767	10132287	9997044	17506434	17663958	9288052	9471267
C4-OH carnitine	1975192	1963258	1118373	1064548	2230261	2172193	1868379	2035566	1564750	1356497	1403540	888406	1390772	2098312	1741130	1431806	2191242	2239358	2170594	2635040	1403647	1767502	1202883	1160463	2900115	1130382	1975192	1950696	2072712	2435673	1609576	1218649	3024514	2040707	1806913	920219	1748521	1400860	1851525	2970723	1794877	1970089	1519813	3382311	1332163	1509373	2463990	2223074	1975192	1969362	2196393	2237395	3392858	2471185	1866168	1892178	2543390	1961191	2460721	2101362	966454	937935	1858074	1853876	1975192	1927550
C5 carnitine	1800103	1782655	2753702	2717542	5030444	4886202	1234210	1555645	2421983	1732778	1287691	1976064	1198974	2044891	1928822	1411956	1703369	1888523	2086430	1846230	1816038	2243883	1889385	2739743	2331421	2157667	1800103	1803630	1716088	1977222	1441406	1593972	1717474	2290331	2143006	902684	2230125	1439238	1348019	2196792	1822169	2383797	1782357	1741224	1527598	1279811	1769530	2021304	1800103	1806799	1667954	1327698	1764175	1628394	1610083	1812877	2023188	1591249	1821475	2089554	2148727	2146465	4596305	4581418	1800103	1837214
C5:1 carnitine	22006	22366	28110	28201	43230	42356	15474	21581	24553	21260	18009	22950	17023	23577	22746	16243	24286	25499	28754	24999	22230	32297	20650	30904	31592	31219	22006	24954	24677	28860	16497	18331	23342	30151	20266	11847	27197	18550	17131	28763	22317	25106	20193	24608	16710	15216	26975	27529	22006	22620	21532	20462	21259	22801	21332	21618	24875	22527	24949	24496	20985	20591	36437	34875	22006	21691
C5-DC carnitine	46377	51833	nan	nan	nan	nan	36751	59212	11682	6810	11772	1400	2672	16416	44696	33988	31134	38413	nan	nan	nan	4526	4685	15184	28876	nan	46377	39896	66797	47419	1359	7355	88968	6873	7711	36244	34950	39433	69237	150858	145430	49786	42687	105549	32429	46433	77434	54853	46377	58323	131872	149528	147200	91749	54614	114865	104598	48939	101833	34154	nan	338	175	nan	46377	44111
C6 carnitine	251000	257066	198794	210519	394286	401042	296915	278344	252248	222797	177752	198836	215563	318126	188959	194029	145177	190306	422996	414096	315570	265620	168848	265258	274067	297922	251000	247932	264650	286904	316579	238155	325253	218871	194878	141665	247594	222323	229441	322797	226231	252512	300705	238219	260290	210280	372882	366229	251000	249780	251510	95436	165107	262753	179493	270799	153777	335417	251309	233442	267006	271888	385092	385613	251000	254382
C7 carnitine	47579	44904	66194	63953	95518	90966	32995	42092	41150	40217	30372	43673	38564	48838	45386	32849	33153	55169	56480	51794	45747	70599	49388	78315	49535	57586	47579	49532	47392	68316	53021	49295	50797	70314	41788	22499	56711	39870	45084	73243	52076	62323	43960	41337	40974	29096	48864	61182	47579	47013	57648	26468	28813	44770	44180	44176	52492	74321	48272	42218	55503	54689	75884	74440	47579	47938
C8 carnitine	156913	160309	168408	164972	328689	334858	88850	151209	148770	126747	100168	128136	125564	172302	136820	120904	54835	193481	192789	186082	140018	201616	144590	144442	169854	165176	156913	151654	126026	193491	210073	180152	160000	223935	140598	75953	241145	168017	181917	180907	179558	204045	162441	203099	202525	129111	197809	309589	156913	158134	145781	91915	109772	155253	126104	170398	150189	146949	152327	128773	176464	180471	275865	274886	156913	166838
C10 carnitine	115147	112134	113566	117007	203372	204665	46444	103555	92903	86475	79543	92749	86813	117148	103327	95888	26141	140481	144911	102969	89326	145378	108085	91397	104562	119898	115147	111437	78856	133901	140793	135206	119540	167131	112474	67015	196414	148412	118428	116930	122599	138611	137665	162721	137684	93395	139636	227853	115147	117638	89241	91978	83093	103248	103810	102021	103999	105419	108293	103547	112321	114839	176021	179913	115147	114115
C12 carnitine	252799	244724	181585	186286	304328	311935	139955	218742	207314	176936	160183	169506	178660	296376	227625	218037	145227	344230	336578	242336	211306	326782	214275	195288	315135	258310	252799	256463	193019	293275	274600	257788	278363	379580	238869	120404	383059	278877	236674	307293	262223	291930	264326	394371	269346	197395	289917	487764	252799	264508	215258	255596	266939	261202	224010	227445	242885	216137	233555	221804	168208	168185	271536	268088	252799	259129
C12:1 carnitine	62035	59092	31802	31763	57404	60111	18421	45401	45496	37083	46289	34223	28698	52394	53281	51296	34827	109803	54607	36241	35536	95864	62512	46691	62861	49870	62035	64817	49738	82733	50349	51407	86548	135501	62134	45080	124505	78637	56306	68116	73268	67340	66727	107308	64147	44766	80525	112929	62035	64328	70213	66481	51128	83516	55761	57989	76731	58011	75475	44062	32785	33422	54189	54057	62035	68137
C14 carnitine	934934	923915	805840	772334	1238547	1248125	539869	800446	734877	589223	632938	605870	644040	1046780	841201	771579	695250	1241573	1127903	937574	792005	1102190	776354	698766	1122661	862811	934934	923410	727170	1006205	993381	863730	1056802	1439048	831658	486352	1322182	1005074	814257	1125379	973133	1108028	964503	1439142	933861	792132	1075615	1705668	934934	940187	861898	1102607	1186139	1045508	777232	875231	930342	899579	936170	942218	698905	735796	1163975	1199462	934934	980398
C14:1 carnitine	369886	372624	287932	278799	513066	509040	242367	295809	305337	206034	274768	246562	233458	420494	332084	343394	318059	689107	403252	304204	269137	516400	352963	302720	428293	345407	369886	374337	317382	452264	370819	368791	365802	699496	337849	229391	584281	409950	327080	379984	393333	386936	340472	467576	390830	256552	434875	690820	369886	368616	391807	479347	356198	464416	260272	342559	421741	359832	305500	280267	267438	276714	472360	489438	369886	386005
C14:2 carnitine	151113	150101	127236	124491	212822	210915	93669	131119	117907	86863	102969	100092	99269	208435	131333	145139	106270	229516	148062	97427	109276	195582	151291	107901	158118	156264	151113	153602	150282	204647	159965	154368	144317	276912	125696	94864	249262	175164	140988	167494	153065	173563	137373	232600	171097	94218	185327	345324	151113	152273	138182	151070	137214	147743	98287	119006	141764	111725	109258	118855	114005	119624	194639	198953	151113	156116
C16 carnitine	3974663	3919323	4559769	4531442	7132242	6823520	2663833	2960515	3077182	2835057	2367535	3014137	3326946	4231666	4203800	3265976	3094194	5099688	5141183	4894713	3885174	3671833	2786164	3150503	4526955	3909280	3974663	4116104	3299099	3839128	4453011	4329891	5002405	5766196	3442871	1739692	4343624	3067544	3730281	5289513	4104370	5493483	4562486	4837078	4090794	3498340	5212196	6315097	3974663	3975085	3457794	4336776	4570675	3617537	3835725	3318766	3499951	3673873	4299950	4432079	4274094	4308153	6522315	6447091	3974663	3974919
C16-OH carnitine	154368	155893	106222	107743	186991	191158	52898	126031	98544	98077	96828	84463	93277	120295	143913	123035	139485	196434	160493	104501	107741	193315	117338	98600	141737	105888	154368	153398	129196	195232	123175	119348	270816	261502	108001	69539	192386	135708	130733	218044	204364	228492	174543	348559	149391	120487	260863	309936	154368	159266	101583	187755	261864	153811	136214	114400	137128	100186	169979	142571	93153	92349	165933	162830	154368	157642
C18 carnitine	1923881	1881521	2337510	2336420	2808681	2856684	1242810	1702890	1646441	1615918	1352467	2103885	1867221	1861014	1792171	1623638	1686134	2171588	2585262	2947445	2137282	2086844	1582855	1773598	2069090	2257090	1923881	1955342	1531356	2147354	2436650	2368431	2018339	2120716	1446471	918229	1810364	1581252	1972441	2559457	2010630	2321992	2116836	2212530	1685661	1939249	2199486	2703457	1923881	1986567	1538835	2287893	2283226	1654600	1687953	1619578	1727826	1845832	1865677	2237364	2366683	2378746	2775997	2736367	1923881	1871397
C18:1 carnitine	1337161	1335928	2042684	2041505	3719013	3748493	933240	922453	1135260	955025	1068490	1523199	1343040	1209160	1592142	1292051	901392	1559978	1777059	1967294	1508354	1553364	1218737	1167287	1135112	1561225	1337161	1373879	1034915	1410669	1637150	1994581	1526818	1728686	1168397	756448	1415687	1106663	1215043	1428488	1688509	1977002	1768264	1290303	1541137	1191652	1679869	1902543	1337161	1355339	1051685	1241505	1043048	1109966	1186847	1017223	1018971	1333801	1219987	1415608	2272557	2234469	3721300	3691861	1337161	1342634
C18:1-OH carnitine	150028	154657	138020	139260	285603	283294	60565	117194	99251	88007	94892	105743	84920	99070	147546	127937	143405	237023	149087	114605	99433	234859	145015	119284	122124	113498	150028	156429	106465	205624	112152	130960	216469	246017	103614	62929	201898	131895	129079	172042	227168	231335	160751	226352	148523	77124	216778	265475	150028	145201	99800	178962	195895	135725	113300	114869	135119	115051	150923	134719	123606	125008	273278	270305	150028	153977
C18:2 carnitine	1408755	1345650	2209438	2221160	3631377	3439946	883829	965223	1248595	1100767	1094597	1316674	1137738	1674377	1711222	1323512	915989	1727352	1499446	1315459	1155343	1323194	1118578	1213544	1283978	1447427	1408755	1430315	1371259	1511972	1618064	1971831	1800462	1939502	1259876	748712	1434790	1097204	1458770	1536485	1568736	2165026	1832711	1397352	1644285	1085668	1862625	2128899	1408755	1442469	1185190	1243898	865246	1208476	1133617	956863	1129017	1195447	1289493	1433998	2436248	2441462	3468358	3515026	1408755	1395873
C20 carnitine	687681	705259	513886	502795	436173	429731	578535	773131	656565	579290	461059	602016	445461	750169	633768	608880	668778	776039	679169	569398	439661	846421	662202	726459	813247	604672	687681	680626	650856	905013	654696	715325	699346	753820	454690	324364	638409	592590	750709	1171793	843669	759026	663376	848995	505977	568403	752681	954169	687681	658235	642542	916750	760359	570140	661830	580832	690935	652849	691493	672403	467111	475792	393257	404780	687681	689332
C20:4 carnitine	491745	501249	886918	864255	935933	984052	393073	493736	481348	471228	322849	538980	774191	693867	457450	404813	479023	530757	551929	844690	611196	384742	412867	466717	575682	581534	491745	498266	396825	392082	838088	730150	376887	439086	371174	191240	412695	334612	481653	597548	393230	536086	488755	438400	497196	457121	472392	673326	491745	480985	458570	477052	395198	366566	368153	402840	386547	555614	362258	612124	787025	796657	935606	940129	491745	487010
C26 carnitine	91149	96464	9167	7653	1432	4083	63446	151131	66283	41950	47086	27401	42356	53465	66071	87907	66434	81050	40441	21263	49963	102202	95587	74268	73632	45484	91149	84416	113536	104440	48831	45128	101741	102287	71159	76429	76586	112246	93572	202096	141872	75631	106374	146763	58871	65522	98154	100356	91149	96826	149058	146331	142093	118204	190522	190966	128446	127038	108114	91571	12713	13317	5762	3194	91149	103069
cadaverine	6133	5904	3058	3103	3628	3936	2590	6307	4367	5973	5498	6272	3454	4598	4340	4435	5277	5955	5639	5518	5185	7766	6444	8897	6734	6625	6133	5539	6775	7822	4525	4637	4979	5367	5101	3832	5545	5774	4514	5147	5341	6404	4998	4870	4078	3504	7402	5205	6133	5506	6215	5728	7689	7330	7410	7757	9748	8890	7757	8054	2920	2876	3405	3712	6133	6294
C-glycosyltryptophan	46924	43221	71233	73374	98860	95003	26345	41413	36479	34233	24090	46482	50975	52169	42447	30330	44153	56823	78208	82517	78761	59881	42951	56472	59476	71380	46924	51516	33275	47383	66777	56934	37324	51046	39890	24558	51258	37355	37076	60842	39859	59915	46839	44181	48803	37398	37452	62969	46924	45223	42309	52526	48969	42624	50373	47294	43967	53938	44955	74197	59920	62928	96886	97404	46924	49525
choline	31634788	31680338	33167322	33276553	30877108	30822041	34120381	35690360	34303395	32150982	25301050	26906926	24067872	35714310	30089615	27645229	40521540	33227463	26216221	27602357	23242809	31962012	30689214	33557148	37349642	28031574	31634788	31736069	30951073	33910813	23504867	22555116	29991945	33265996	29129392	19960452	33502791	29582868	30255191	35949377	29290193	29632357	28707569	32730645	29810900	24656960	31159220	32992537	31634788	32976849	33512733	42703561	43086169	32016604	28596549	31372493	34387130	30352252	31853168	32884850	28910329	29218278	30315885	29799676	31634788	31843489
citrulline	893873	905672	923714	932702	1375950	1393324	737161	733349	714904	758837	571672	940272	902752	965258	794987	720681	961156	1014136	928412	842845	901747	951321	846018	1276267	1004988	1060442	893873	902567	707198	992448	1046710	941882	750014	949431	690227	560533	984138	750437	902089	1180992	1017945	1153428	1035236	818440	1010135	761729	875725	1099492	893873	898352	725367	951476	940123	856301	965767	786767	877623	1019791	738865	1093899	821813	812766	1235257	1228447	893873	896912
cotinine N-oxide	13445	13185	18995	18573	21152	21019	3931	13523	11452	13371	10746	11806	10190	5949	13325	9691	4421	12059	12061	11148	10725	12663	12856	13882	8729	15355	13445	14793	11904	18772	16043	13454	18984	15531	13736	6912	19046	11202	22573	20577	23133	24469	21661	20832	11210	12181	25555	22441	13445	14719	11714	8450	9706	10799	13851	13866	11507	14273	15917	16300	17094	15148	19774	18491	13445	13129
creatine	41181869	40874332	36221935	36564276	40100691	40556919	31568292	39331185	37783483	35440679	36527194	28496654	28017159	43868970	40040917	37224779	39565228	51860212	34116974	28133875	29268064	53700905	41376343	39470342	48225618	33879398	41181869	41165405	45781439	44966602	29741828	30326451	42366351	54040559	46281696	32121605	50907019	44809198	40796286	45792202	46002353	45640034	38164071	44145766	32048194	32450151	46103085	45784048	41181869	41055811	42897686	45904436	47002625	45154645	44444781	44517612	55841970	35449190	47881471	41932529	31759125	31600474	37535095	37343907	41181869	41238314
creatinine	1108345	1139973	1456122	1454908	1938809	1918222	860992	1158521	1162530	1071784	996550	1053073	1024423	1127298	951199	841566	1023897	1114311	907920	780070	874447	1264218	974663	978901	1255656	1099489	1108345	1087260	1093606	1278444	954126	852399	968122	1251772	1156537	1003301	1336016	1141128	990189	1133585	1055846	1057358	857745	966931	765268	809935	1097200	1224576	1108345	1125846	1077401	1219848	1385550	1992629	1346993	1114432	1377883	1149054	931733	934936	923131	961115	1248917	1253698	1108345	1106436
cyclohexylamine	93904	99495	182289	181889	191138	188591	56663	26378	47137	65809	51663	43265	75373	44507	59597	64990	67031	72181	38886	65424	52326	92744	117431	101812	84711	81735	93904	93966	173865	73222	151676	171210	72863	118448	106471	151890	72989	118502	108695	102156	64131	112103	91704	88080	162626	118169	171550	68105	93904	93262	78858	158239	103671	76221	138445	103341	105688	133802	69149	131031	162942	168718	126453	127129	93904	92216
cysteine	6973	6342	4738	5416	6634	6006	16415	9213	9913	4552	1219	1665	1153	16715	9265	3737	26452	8843	2736	987	1581	8190	4682	7559	16322	2850	6973	7084	9613	8648	532	979	3624	3522	3942	686	4713	1635	9076	13450	6880	9373	6749	7944	8862	1441	8288	11405	6973	6560	9399	24571	25623	6600	2078	5511	12689	3651	6144	5460	1563	1240	5144	4199	6973	8018
cystine	41112	41339	40351	42016	83527	83915	99887	37277	61348	53012	16358	24940	33355	58435	21256	21547	109130	27379	25991	54746	18757	14998	28419	26894	103569	9365	41112	42606	104336	40488	35248	22004	20580	40842	34194	22032	20194	24797	39963	34952	31747	64152	33724	48268	100614	22174	28448	57040	41112	43840	47648	161851	128933	36753	12538	19455	27325	11032	36661	25782	18828	19552	59428	58827	41112	42886
cytidine	2576948	2557156	3485813	3428197	3664583	3626345	2778539	2592126	2674531	2774055	1622237	2653883	2660258	3835322	2323472	2012418	3959843	2678131	3065143	3703714	3002679	2712568	2153114	3179548	3532312	2936591	2576948	2651500	2361846	2752662	2665021	2285211	1912180	2224056	2385843	1259212	2558327	1832416	2255205	3439363	2184032	3172545	2548915	2135183	2707171	1814644	2233296	2936164	2576948	2633075	2396204	2777615	3924304	2034300	2541092	2755149	2347597	2495633	2109956	3267749	2813402	2875236	3434379	3351342	2576948	2594702
dimethylglycine	78204	80259	92131	88613	105436	104039	73903	67822	80277	67234	52081	63889	57900	93794	71489	60011	97004	99212	77260	69113	69370	81800	63744	80837	114890	72732	78204	80467	64435	92478	63505	57426	78611	98221	79704	37630	70152	61425	65553	98563	74408	82441	59092	89610	84062	51273	76201	96898	78204	78446	87173	86002	108164	102838	84452	83822	92528	85740	100726	89512	67510	67014	94289	92768	78204	77394
ectoine	74120	70612	197445	197205	101327	103891	55657	26934	20993	42330	36392	46235	17902	22806	75251	69231	48221	86513	17672	11041	16859	106474	104785	208137	41961	41941	74120	74484	14775	41722	14951	72455	63697	48925	53985	97264	52109	88505	43419	36105	205280	82228	63332	35987	66115	22706	71724	71524	74120	77089	104357	184410	45670	247347	103411	105119	201595	38623	129251	91105	177265	180259	92049	89901	74120	69726
GABA	12372618	12750478	13618260	14015206	12581644	11898375	14113997	9697849	8548986	8838110	7221525	8100990	10136543	11124283	9755656	9844215	16248982	15503051	12488696	14799594	12377324	11388515	8727939	14930207	15549313	8519097	12372618	12489463	11434311	10486369	11315062	9708383	10385968	13995961	11478758	7841262	10613950	10243976	9373098	11557917	16457675	11865227	10330314	10953726	10396328	8596496	10508546	12099333	12372618	12488873	15340831	17678576	18614105	15392576	14188734	16589565	16717066	14524389	12918247	15402898	12600955	12579061	11567195	11153342	12372618	12780829
glutamate	1984307	2000764	2823621	2794662	3235009	3194222	2937927	1912419	2081544	1815079	1328879	1954952	2128417	2712967	1977818	1653505	2381154	2120283	2284282	2344370	2173513	1936597	1827804	2160769	2625435	2348333	1984307	1984074	1900291	1980108	2252706	1939214	1602045	1783213	1904587	1301078	1682148	1530984	1940690	2075337	1680283	2188174	1984496	1760440	2486362	1624966	1701369	2385003	1984307	2025700	1874727	2438784	2298726	1800172	1551374	2025988	1749523	1794760	1491070	2212245	2296782	2313228	2950979	2923678	1984307	1964028
glutamine	1735482	1736379	2712729	2711918	3718897	3753364	4596277	1464331	1796181	1360792	905350	1513317	1913924	2945992	1838330	1338590	2791146	1805135	1984511	2486636	1676702	1508104	1408216	1660909	2878827	1652376	1735482	1758705	1536020	1354118	2068999	1699733	1093888	1384508	1545177	759342	1086453	1163905	1728122	1869352	1502576	2063867	1598007	1436244	3006709	1207030	1295269	1986216	1735482	1718510	1784629	2487374	2316543	1422945	1249972	1756728	1536006	1484094	980814	1875410	2120807	2065906	3196052	3279711	1735482	1750639
glutathione reduced	18768701	18590215	14299595	14595114	16956733	16888022	14260840	21495689	17947170	16021521	16078283	13502456	12546808	22645090	19275226	17055139	17445703	25671032	17384715	13154735	13924684	27135720	21041525	20345339	23398405	16093443	18768701	18522025	17634133	20636285	11833789	13608202	20160278	19389124	17807465	14126603	23331293	17230922	18690056	23831785	23873949	22384375	19095797	24462155	14742850	13820511	20685756	24511567	18768701	18735311	21021084	20868250	21606251	21639866	15154176	18067252	23546870	17828916	17634705	18566213	11703088	11712454	14652583	14846679	18768701	18801018
glycine	152051	152386	193300	186593	241584	245496	197153	158680	162750	126259	84432	119787	116282	211663	133664	100928	214290	169754	127133	145940	118241	167639	147933	173272	239087	130903	152051	152713	175160	148712	128302	106026	113353	149684	119744	84551	131027	124310	153541	185096	145326	156622	127712	174813	177506	101274	136793	182233	152051	149737	166242	237884	252159	153849	129323	148704	173616	156257	130677	177294	137491	137904	210450	207199	152051	148520
glycocholate	5412159	5463265	2455599	2459706	645414	654978	23871860	2805762	28282714	968129	4398948	564747	863992	14091746	8775090	1498523	12635286	32987929	1231155	261304	473206	16335598	6200081	3928323	2094418	2975326	5412159	5373580	1615701	376466	67177	661273	705081	10033157	845751	11072926	1753509	1893423	1958816	9332953	1915727	1679820	1373077	543191	11255057	2244636	2020892	5075986	5412159	5403948	4746734	7551162	2737722	9060137	811157	251147	11391825	2259439	1249971	1376433	1661189	1689274	536004	522983	5412159	5405838
glycodeoxycholate/glycochenodeoxycholate	714020	711011	343086	347940	57651	59838	2696033	512108	5844195	118274	157484	59531	61536	2255945	474204	272010	1360832	1727397	84516	27977	57227	1177034	527127	415100	215765	494652	714020	707757	345921	131922	26376	109680	262858	1159869	69804	556468	237305	186225	408181	1582753	862960	201869	400634	301407	1174739	306617	300003	966726	714020	715431	719834	471948	158195	1555153	169575	104183	1085347	555835	323823	152987	251590	250484	51127	54327	714020	741131
guanidinoacetate	45488	44012	44976	44431	50112	50328	75842	56438	46452	45500	51567	44110	32422	38765	60535	39044	50247	50257	32767	28314	29784	52103	51692	41820	52184	41485	45488	46971	36442	53194	33054	30770	54970	50770	37690	31942	37524	32545	48222	66045	60045	47735	44483	66246	51976	31114	52268	72985	45488	45457	43715	55341	40637	63687	39997	39703	52901	41322	38973	35589	34352	35076	48162	46315	45488	48028
guanosine	2644618	2622706	3238660	3112901	2608847	2604670	1417222	2998677	1814005	2612342	1333039	2404275	3621793	1935912	2339441	2523189	4431906	1677191	2715866	4874832	3938208	1150477	1330906	2805938	3467344	2959411	2644618	2604976	1975762	3175022	2970666	2487678	2383875	1279559	1642266	828353	1748782	1320008	2842695	3757526	2192840	4036210	3550193	1359661	3037012	2552031	2238732	3391433	2644618	2696042	1583060	4225586	3455346	2080602	3751359	2492934	2512018	2770421	2699364	5053605	2383210	2433630	2512620	2458537	2644618	2714629
hippurate	26982	28054	45757	47195	74803	75478	12341	15615	14130	17397	11065	23260	22616	21724	54795	8240	14694	22895	17151	22697	32330	27513	28496	26005	62819	64788	26982	26205	12415	19473	12701	13067	11855	11804	18973	9228	18594	22374	13030	12664	4917	9345	11109	23344	21054	17838	23395	50783	26982	25806	28099	16626	14167	269638	16129	20220	20908	151423	17772	22051	32540	33332	47989	59318	26982	28294
histamine	10814714	10857141	13872522	13802214	16282645	16212436	8473210	12125310	10100073	10585617	7159831	14338810	13458166	11079019	9385608	8168009	8580786	10682836	14354993	14483986	14925919	10465406	8699273	11239127	10916974	13105880	10814714	10806025	9517189	11491838	15950540	13425096	10276336	10297638	7962869	5855998	9925090	8210801	10817351	11734567	10494763	13138387	11876591	10223887	9260592	9869633	9746003	13169645	10814714	10807107	8952309	9866869	9207113	8455033	12156322	9247122	9203110	10825073	9277734	13116061	12334840	12353420	14523472	14602823	10814714	10834172
histidine	780393	788046	582426	584068	712095	701351	2074542	882648	869542	647660	469766	489418	506967	1551401	678318	596032	1695923	931990	495370	625693	447734	1049564	820402	899175	1971593	581507	780393	795371	1107654	708857	453009	481011	425311	900363	567440	536731	696090	649613	724522	722272	650346	757397	535441	812085	794151	384935	706403	872881	780393	780391	1082420	1367349	1362403	880162	452580	791761	992302	625003	538707	620712	385340	389276	600059	613816	780393	810781
homoarginine	803558	884700	696028	682840	846102	801796	1000032	616712	605276	594587	633821	529891	348835	600266	336713	217690	1788407	973895	593941	197618	921824	906342	781499	982569	1450527	900534	803558	911790	443492	660506	564973	398380	428086	1221265	779366	377785	826453	668639	489778	991719	859012	564411	488520	608888	965902	238121	518671	693310	803558	886415	1099721	1180472	1347275	1994749	1306469	1678257	1157780	878597	1288041	1062959	382620	328416	722604	729900	803558	847151
hydroxyproline	314140	307337	359608	370034	429776	442338	431085	323300	327343	288772	236146	327623	350738	463698	362356	253179	288544	327875	231675	221750	254508	284464	258249	321242	317487	220422	314140	315237	391934	473483	376748	342616	297332	266742	215527	145277	248729	200981	373074	501611	426290	459278	322574	347164	460844	226109	316264	531396	314140	313262	271203	308602	309060	282650	256735	272281	274249	261085	228815	285202	285342	290141	386346	387778	314140	319264
hypotaurine	337840	335615	383324	383790	499477	500298	226176	276126	217063	250225	184351	242448	341014	403543	322579	220037	376623	484041	464596	442390	339251	463850	344753	398393	436710	398571	337840	340834	198567	285382	308709	304071	241259	370533	309683	171259	359258	297510	300415	395611	300767	425827	330881	318169	278061	237272	276986	400157	337840	350796	353977	420901	507078	323075	380973	465721	448873	360006	347127	482450	323488	323035	437982	437674	337840	339879
imidazole propionate	438652	438933	388466	390028	239497	234410	448682	420773	327676	361925	289087	516739	207623	659138	424807	470835	246104	308384	178534	395267	65587	578057	282054	475237	297388	153515	438652	444843	677945	1279165	172665	274281	795710	1426112	176259	166792	161136	201015	486315	886056	609576	487035	394227	568135	330504	315917	542279	683671	438652	437997	137618	241114	893646	291078	300349	190650	685122	129147	416040	589832	350517	344769	186048	186393	438652	450359
imidazoleacetate	20337	20823	25880	25416	15136	13600	18023	30645	23800	26775	16992	20958	10092	18997	31750	18651	17350	18734	9276	6963	9186	29332	24444	18524	30258	16050	20337	18875	14182	23560	7125	11751	39994	18239	17715	9633	14791	17816	19184	26124	28143	21058	18212	37300	9768	12471	24578	35133	20337	18793	22381	17747	18620	40105	15241	17724	25444	11747	27191	12845	16992	16552	10312	11224	20337	19370
inosine	12562245	12440760	21457056	21603912	23856769	23569246	7098090	12752952	8743555	12231548	6768402	17253428	19889421	7616145	10642679	9742354	18595035	5363409	19994022	22861007	22023581	3621105	4931804	14310859	13647939	19107896	12562245	12210031	6907059	14047124	19069709	15906746	10948476	2548097	8149723	4480860	7905541	7300698	12258030	17700945	8486735	17240442	16184207	5398903	15211989	13667257	8678211	14473917	12562245	12653596	4690760	16088714	18864230	9094353	17801283	11255553	9064972	13437625	10384996	22121551	18267261	18187556	23034195	23722887	12562245	12953974
isoleucine	520401460	516019307	391786323	391337947	467240185	467643864	1284637909	545867925	596091353	388644073	209877901	288289378	298347106	1178392252	432387594	333106027	1196718348	764928065	355130955	465790417	281519614	716848776	543932126	602482058	1499476041	348821921	520401460	516525780	697819533	417906883	259890683	265912938	245963766	585120823	363505040	239125266	378895456	366853794	487304005	508891251	389813693	466173474	288982648	450026845	411591331	204686322	450574866	532283817	520401460	532946784	854712369	1074802660	892073423	598876395	239784366	552382646	745928008	402433212	428620792	490013628	279787045	280237275	393190446	401887771	520401461	547122196
kynurenate	35302	34831	73398	69572	103213	101142	59471	11623	8574	4011	4017	7274	7206	6795	11799	14818	9830	18219	58988	33610	55503	5487	9992	16444	19964	31370	35302	36356	33190	38522	27922	1326	2609	8346	14625	12079	4232	5818	593949	15038	7610	11904	2826	48978	35039	9790	14176	9151	35302	34068	26468	42792	54264	37024	11071	79965	116480	79677	13566	40072	44229	47632	125072	120026	35302	34374
L-alpha-glutamyl-L-Lysine	1429	1349	568	578	546	131	10073	1107	1840	560	905	192	523	6539	1609	1068	2752	2007	176	280	715	1739	485	1070	3920	556	1429	1633	3607	825	88	250	477	1533	405	1196	228	221	1540	1574	1319	934	798	545	648	365	1244	1270	1429	1665	3585	4255	1267	2859	179	1213	3109	618	723	700	275	326	411	332	1429	1282
leucine	766556613	777065888	611071054	622334693	684990844	683998153	1961139748	812848702	943600432	569364061	316159995	419430720	404582709	1854985585	691839543	507202893	2048463777	1137313839	495990565	598922782	415158033	1097916106	790237086	879955078	2080362688	474040218	766556613	772846269	1051448759	623661127	339522830	381832021	371892582	843447431	497436239	345693156	534398210	495292149	750891620	808731449	585429449	746785793	431867828	629461410	631997948	270789700	653777664	739435381	766556613	768874634	1330761843	1670318230	1427120683	835168679	334267271	826996829	1097957517	508269127	553265253	635880392	414778118	421189204	601526838	593380181	766556613	772999049
linoleoyl ethanolamide	220914	214196	155767	180746	149243	165562	271398	286381	274437	150939	245808	230982	140551	146376	323671	187590	184531	353196	148390	166643	179004	349729	409372	293796	211631	342091	220914	217231	120110	293384	92869	286567	324778	297727	141610	126137	296675	251794	291605	163419	316289	127069	171545	138202	111380	177959	105485	304086	220914	208487	260827	189264	334389	273703	77744	135377	304396	292284	307147	113681	144889	144560	170741	177227	220914	245557
lysine	2500086	2561113	1786396	1791664	2223521	2176397	6820266	2869523	3095441	2036820	1052677	1546595	1553127	5416455	2062353	1699708	5325309	3198959	1671918	2028834	1678224	3422820	2603821	2850261	6403626	1925361	2500086	2560799	3222911	2059798	1504100	1358454	1123276	2516186	1568226	1255977	1786523	1697066	2333432	2488443	2016698	2376109	1534227	1929719	2152720	962860	2108054	2627269	2500086	2477073	4276290	4303567	3977289	2849398	1401192	3035013	3214127	1913530	1753868	2451416	1239635	1237168	1904170	1911922	2500086	2534465
methionine	948171	962777	839822	847391	995266	990679	2634076	1024118	1193076	718641	355941	506968	538955	2497364	858272	614896	3248915	1340582	543071	727735	458370	1229340	934455	1029890	2783871	556001	948171	946748	1311442	745627	420171	401482	420419	927199	546673	424116	543883	540714	909458	1016051	686906	879213	515610	731260	771931	324712	759654	944414	948171	981492	1637048	2312093	2210547	1045636	358275	1019742	1277304	632693	646086	807541	546412	553269	862207	872729	948171	945708
methionine sulfoxide	2899	2967	4598	4951	4766	4194	3791	2359	2527	2001	1394	2390	1615	3741	2803	2271	3875	3495	2017	2000	1918	4903	4143	6316	5046	2144	2899	2799	3176	2893	1652	2382	2158	3057	1941	2371	3073	2650	2498	3348	4324	3120	1929	2304	2604	1057	1916	2710	2899	3070	3964	3439	3636	2830	2150	2540	3314	2335	2343	2695	3900	3513	3834	3529	2899	3031
methylguanidine	4527	4455	8509	8743	6300	6417	2712	2452	2656	3101	2020	4923	2225	2297	3779	2832	2540	4453	2021	2212	2307	4993	4647	9066	4202	4807	4527	4590	7508	7965	2119	3411	2995	4122	3495	2409	4070	3869	2059	2278	5480	3560	1763	1950	2553	1483	3048	3983	4527	4420	6510	6533	4929	9970	4079	3833	7654	4009	6291	8476	6093	6115	5509	5849	4527	4723
methylimidazoleacetate	31876	30701	16293	18764	16587	17937	20875	30133	19568	27866	15134	41479	26033	22394	21829	15030	15281	21173	5975	17278	10166	23332	19420	18972	19949	20845	31876	31843	19339	23547	8954	14278	36330	46741	11644	8516	10947	15968	29694	31191	24767	48729	16816	35022	16103	32774	24623	38948	31876	29810	16660	14042	134788	68847	40043	21730	131805	38160	28482	183848	13573	13588	13251	15836	31876	33258
methylthioadenosine	1084645	1118608	1708901	1781041	2424779	2567763	1129465	1521019	1115923	1507622	1003482	1788111	1675302	1194108	625716	833186	664464	662919	1120786	1063834	1037782	828835	965168	1224813	1578188	1433814	1084645	1099900	728995	1114507	1303407	1129359	994997	725139	1201619	1204711	1974459	1548865	711533	877999	730463	873615	812758	950134	806995	963590	923077	1061017	1084645	1123345	851376	966617	1483406	1196591	2161315	1291434	974222	797439	875214	1030117	1031503	1080122	1588912	1641050	1084645	1125138
N1-acetylspermidine	1555386	1565319	1724633	1716620	1923341	1908008	928631	1583722	1343268	1158893	765547	1211295	1498224	1766129	1456660	1180975	1319382	1865807	1832385	1770967	1670077	1829854	1538844	1595373	1864546	1446085	1555386	1525232	1290648	1598266	1564200	1348910	1407452	1858868	1565859	748831	1677928	1466146	1484608	1955755	1672640	1962958	1447916	1708095	1190848	1134261	1678164	2064764	1555386	1588134	1748589	1846399	1896631	1562521	2096988	1599191	1911654	1398959	1706939	1922224	1340938	1344262	1615292	1596623	1555386	1517511
N1-methyl-2-pyridone-5-carboxamide	29889	28484	32683	32195	53702	54760	13263	24725	17919	26133	16856	27219	31997	24046	22031	21475	30685	24823	55939	50089	53054	42770	38020	33886	56468	48299	29889	29150	16909	32712	33536	25073	29468	25196	45254	15202	49180	39156	25236	28818	20419	34250	19180	30434	23942	28618	21490	28707	29889	31233	27259	21106	51733	46679	56091	57066	38482	59421	56401	52584	28006	30233	50081	50396	29889	30259
N2,N2-dimethylguanosine	866534	806983	741693	754212	794313	785430	371867	855388	241659	778195	474030	516126	484570	744174	747505	743114	771717	432259	727753	546914	588227	813379	821109	997982	1374958	909175	866534	928269	1067741	934728	595146	462524	762072	1403912	858668	351801	1046620	663018	1221977	985703	1107488	997573	777713	776701	529414	554000	952454	935198	866534	924899	1288809	1170190	1049795	862722	836990	865076	863613	877571	1108731	839658	679668	696097	883676	765354	866534	976114
N4-acetylcytidine	35635	32374	33802	31086	43105	41110	16519	29791	19785	37327	16553	38255	28385	14437	15778	13234	55678	52144	95784	88621	86660	52804	49902	59293	67365	63880	35635	40233	29515	34011	41267	29611	33727	34529	67489	24815	86594	61263	20371	26339	20052	25679	20381	24915	21922	19498	22337	19877	35635	39409	50228	58374	91036	53397	76775	63880	47699	51782	58546	74024	27957	28210	38171	39937	35635	35225
N6,N6,N6-trimethyllysine	375332	370797	495912	509059	612561	618794	441864	327445	399870	312277	165381	317783	263107	477811	352563	227892	572045	455093	357751	320226	276058	417214	345675	407528	624170	300740	375332	370960	458832	397570	292562	284353	291279	432618	340746	165272	333372	298101	355020	483547	378924	450874	281305	347249	297834	226280	352530	422445	375332	370637	532811	615345	423398	346688	318798	377664	474196	279820	326525	330899	357957	366767	505092	502245	375332	381740
N6,N6-dimethyllysine	26494	26356	20225	19327	20020	19911	116086	23447	30834	17848	8193	10869	12675	89181	28566	19457	165105	33552	12337	12899	15456	35319	21697	29138	103715	13818	26494	26121	39395	17285	9789	9704	10882	19380	15170	12277	13287	12026	25233	26585	22047	24063	15225	14382	16839	7620	18672	20955	26494	24991	49287	87300	55885	28492	11888	29481	37720	15472	14401	19860	14000	13936	17138	17260	26494	27628
N6-acetyllysine	90336	89412	52674	53671	44379	45331	153862	93218	80334	73026	52844	42034	40448	85476	80830	46504	112013	95778	37738	34845	38310	84089	79649	71514	123345	54870	90336	93601	104385	101871	31039	46192	107640	172425	78370	45256	69533	55339	58594	93819	60582	67750	51055	91261	188437	59185	80904	119565	90336	90666	116947	93461	196659	209661	118300	110821	165327	106506	141002	101128	39424	40041	38464	38305	90336	90490
N6-methyllysine	37472	36802	40920	40601	48474	50374	67800	27594	25316	20836	17400	19935	30001	90301	35542	27992	134479	53591	31234	33724	28226	45356	29232	44648	98035	31305	37472	37075	36903	27396	28381	24009	22673	39503	24666	19104	32606	27551	36610	49713	35136	37465	29847	27369	29649	20750	27713	43008	37472	37011	50701	108250	86250	51876	48693	40009	55679	38083	31515	48890	28177	28565	43342	42423	37472	38922
N-acetylalanine	9749	10092	8354	9112	8218	8740	6181	9471	9715	7346	6550	6657	6887	11173	11563	10128	10439	11108	9123	7087	6544	10701	9291	7638	10931	7390	9749	9794	11573	10995	6210	6289	11111	13911	11488	5196	9647	9870	10601	12484	12284	13239	10018	11591	6885	7526	12831	11650	9749	9892	12314	10558	12276	10210	10577	10372	12337	9316	12488	10435	7488	7232	7626	7395	9749	10038
N-acetylaspartate	25775	31533	38698	38602	53442	55638	15472	18819	16183	19905	11596	22684	27966	15129	19276	14489	23725	20491	46323	44233	44962	21215	21196	30245	34625	40607	25775	25423	13774	27205	44382	34346	21711	17298	22416	15964	27182	22506	20520	24752	16446	33373	24899	22935	32838	25272	17048	25131	25775	25147	18033	23473	31579	23853	34144	31520	18160	32691	27769	45534	50602	52194	83417	81922	25775	26787
N-acetylhistamine	17263	16056	32311	31584	36000	36816	9916	16725	15357	14744	10744	20228	16135	12620	18316	12177	16043	17419	15028	18467	12110	16549	14053	18206	15835	16333	17263	17932	15786	19444	15256	14544	16370	21465	14775	8166	20212	15277	17997	17895	18481	23090	19064	20157	12963	14475	18834	22982	17263	18127	12890	22145	18292	32163	13327	13340	17804	23317	19979	18943	27116	25395	32740	33256	17263	16908
N-acetylleucine	59453	59544	68421	66753	50746	49138	96786	25531	48991	37579	28722	84877	31488	35679	35005	32221	90332	67337	37426	37223	34924	56224	51937	78783	172887	43665	59453	60419	55423	41869	129094	157261	40739	53892	42618	110601	37802	114855	41736	42172	79229	37721	26263	34158	221534	39438	39671	30527	59453	59558	44304	52479	37986	42977	37176	30325	60186	38805	77087	33293	40699	41428	56342	57841	59453	58324
N-acetylmethionine	28462	32738	27595	29725	31935	33008	102106	25959	42477	24463	10852	10794	14415	85540	32289	23458	167479	35282	10727	13575	13492	24973	14897	26304	71583	15778	28462	27385	44299	18612	6686	8393	12862	22900	9570	13553	8103	7007	39532	40567	21082	25171	23287	11730	26613	9733	25205	23357	28462	28255	51112	84250	58852	28691	9684	21655	36835	15887	17866	26555	23104	21726	32547	31641	28462	29069
N-acetylornithine	76570	78278	129591	125306	152109	157813	106042	74236	86466	77042	55251	98243	73762	91002	72374	59038	62949	75516	102677	64922	72572	100827	73701	89771	73010	79969	76570	76416	59782	83482	81534	78731	79058	76926	68922	33631	83331	65477	78550	107760	90219	109732	83878	71091	139904	61300	74444	104672	76570	74989	68894	77821	95301	58765	74748	63763	77977	47689	52668	72325	92994	96780	124476	128748	76570	72505
N-acetylphenylalanine	1454768	1471217	1485093	1532514	1876890	1857851	2775846	1454575	1441001	1230079	970998	764123	805788	1750967	1268342	1076500	3094662	1992469	750947	986560	630697	1860422	1138897	1387922	3123335	835364	1454768	1490703	2161871	1670630	761869	864716	1343785	2477801	1199447	753182	1681301	1299606	1479755	1357715	1374781	1666263	981815	2563686	2596924	862406	1679731	1865873	1454768	1489740	1419972	2454114	1876095	2083914	999756	1414215	2237167	1386348	1957132	1188122	1255519	1166403	1720866	1703209	1454768	1503872
N-acetylputrescine	61993	60451	117264	118589	97854	96249	34318	58554	54051	57581	41512	55418	44110	65210	59869	48455	54414	74061	58799	50039	56147	85937	73454	89739	74522	65741	61993	61668	55817	78959	54237	54003	62489	81428	64044	32449	71426	55474	60913	72577	70009	88425	58905	63536	50205	40481	69799	68404	61993	62994	58057	79193	58895	68752	65245	61474	66038	49628	63664	52923	94977	95638	84629	84628	61993	61994
N-acetyltryptophan	4316	4853	3750	4431	7621	7312	3973	3372	2217	1759	1312	2237	2229	4676	2807	2015	6631	6645	3534	5186	2212	4908	3963	4514	11675	3159	4316	4145	3697	3751	2504	1993	2388	5510	4560	2144	3636	4966	3335	3419	3239	3659	1824	5290	6548	2557	3498	4061	4316	4085	4008	7282	6237	4610	3255	4553	8258	5292	8003	4835	3356	3022	7178	7512	4316	5044
N-alpha-acetylarginine	22813	22366	21346	22263	20614	20561	68549	16338	17393	14108	16925	11725	9781	19112	22410	17099	22860	30703	11483	10333	9640	35683	27768	31591	26707	15497	22813	25041	27154	24830	9128	13345	20247	35917	20613	13008	26551	18937	17639	19592	32336	24541	17779	19077	84257	11455	23961	24202	22813	23373	23470	30018	25799	30477	25056	20132	38327	20831	26329	22814	17350	17945	18426	18045	22813	24365
N-carbamoyl-beta-alanine	12433	12052	14896	14870	20204	20499	7075	10350	8548	9382	5317	16020	17622	6797	10013	5863	8869	6935	12111	47316	10839	8207	7733	10302	18422	14408	12433	12315	6499	9743	8925	7565	8214	21639	11264	4958	10251	9557	8757	12116	6899	10548	5829	14070	6332	8006	7528	12783	12433	11895	11066	7322	39058	20932	19967	13150	43270	17395	16161	23681	12020	12166	17783	18032	12433	12687
niacinamide	23528149	22783049	47743372	47601477	53041532	53512235	15371451	22904449	18420496	22543983	10073591	28495333	27615192	24009162	23473417	17211474	48038186	17091530	32533033	34953516	31110293	16643184	17158398	32714630	30913453	30959923	23528149	23699064	16387936	24054684	27444485	24242111	22503758	15405400	17874876	7201373	19902473	14745392	22477403	34562314	18719802	31546464	25511878	12180206	22992141	19330666	16801232	24860350	23528149	23100001	13682946	40238397	46830164	17227759	28586847	18641851	20423907	17915302	22433963	34129285	38443028	37810625	47865387	48433200	23528149	23390186
N-lauroylglycine	27496	27439	8263	8511	14841	13324	35742	19036	41946	9962	24872	41068	13398	8555	22789	9836	10624	32746	8431	8794	33480	55339	59545	60175	10230	32196	27496	26480	6384	24853	16552	73038	64338	46582	7717	7097	33612	52298	45331	12215	41539	7242	9707	7413	9495	26983	10359	33654	27496	26776	26465	9084	32557	31138	8269	9427	46382	45585	53143	9312	6259	6538	8293	7901	27496	25166
N-methylproline	34894	34411	69016	70343	49610	48610	24511	23319	23148	19623	15844	56339	34058	34776	20817	21071	17874	21196	14498	17383	13129	20725	17857	34958	23055	17246	34894	36420	15775	20293	11536	15304	13973	26062	16198	10209	20318	13896	24588	29757	28191	75641	20312	20541	26458	27588	25501	33385	34894	34870	31657	35339	182776	98810	58943	30181	157792	39419	24310	156710	50178	49935	40200	38543	34894	33626
NMMA	113015	116974	102963	103427	121296	116801	172696	115840	126822	101970	43405	90701	78175	177707	96124	80698	304787	119083	88000	77837	82393	130741	103124	136210	195290	103378	113015	116340	112770	106300	75237	73685	68926	98433	72004	47039	81656	69542	99828	127958	106635	128751	92333	80746	104636	49676	102485	122293	113015	112236	129043	157405	321945	93563	77604	110125	114952	69073	76697	110139	63948	68245	98434	96335	113015	110229
oleoyl glycine	2322	984	414	461	366	1042	3223	2665	1766	1070	2726	2368	859	575	6146	1306	1016	6329	239	821	2393	8611	11439	5462	2424	5884	2322	2954	56	3705	6	5664	5277	4216	467	26	3800	2810	5002	312	8490	123	1155	1295	219	2005	54	5056	2322	2675	3235	55	3536	6172	12	2167	5092	13741	13877	86	5	769	1747	1783	2322	6087
ornithine	102902	104882	131636	131663	122497	118931	307792	130938	120905	107091	64902	104588	93428	190013	74694	70319	183209	100947	83114	135729	72495	124411	103933	159100	223745	104003	102902	106489	111206	92558	82912	73528	63329	98337	68045	60302	92513	89465	72795	100441	78135	90699	69641	85213	127744	46644	77813	110102	102902	106942	136812	164938	184642	92042	71272	121521	106487	65347	55832	94090	80790	81910	103295	106512	102902	107732
pantothenate	6100015	5986990	8892077	8983393	10792191	10463136	8315868	7171448	7885751	6394185	2774655	6070854	4578112	10244672	6330081	4843765	11216252	6596914	4134623	5039621	3967131	6080986	4733031	6694490	8175159	4945654	6100015	6052947	6926613	7639785	4717692	4893427	6505022	5833287	4213932	1791829	4423493	4265695	7175542	10799490	6350953	8213405	4835210	6214107	6199155	3826057	6750285	8622995	6100015	6246484	6936157	8958989	8726341	6004800	3316327	6393501	6957632	3496393	5144386	3902038	6907841	6929867	10381384	10518105	6100015	6041714
pantothenol	2779	3070	2949	2975	3926	3627	4367	2659	5669	3536	2008	2448	2038	3494	2011	2555	1463	3625	3394	10584	4153	1304	4713	4725	5522	9604	2779	2960	3725	2873	5472	8908	4578	2404	2484	1058	1280	1917	6177	8681	3426	1716	2093	1857	8942	1669	2234	2304	2779	2628	3672	3198	2247	1445	1790	1799	3233	4237	2097	4475	2377	2256	2672	2408	2779	2835
phenylacetylglycine	9291	9824	7584	6646	4701	5216	6211	7731	7093	6457	3243	5397	6977	9087	6766	3513	8915	7363	14250	8155	15178	11427	10058	6733	7452	19955	9291	8796	5405	3765	10743	3874	3485	5166	8940	8331	12065	6708	4661	8549	3671	2734	4192	12444	2968	5551	4745	15920	9291	7880	14785	4547	28691	52183	16304	14632	9901	79024	10708	8037	5377	5498	3664	4057	9291	11892
phenylalanine	531815231	531126413	378859344	379834551	396864069	396195307	1541267571	514641995	633925872	367982317	216870300	232494746	253462448	1394732945	486979602	360769429	1784608905	818521451	257943172	367978240	225961793	711439395	478174111	580956384	1562855293	276196096	531815231	529488939	785150719	406125765	206010593	224974233	218741602	554802448	306066728	246706177	323560771	310680692	563774998	578128303	408737608	482697468	278707194	447952474	452400610	179926301	449260758	557743957	531815231	543234518	883535511	1327424047	1125764653	611243901	182706450	541089681	786943885	380189690	377537046	421290912	250525144	253102114	361896727	356767400	531815231	545987810
phosphocholine	5310679044	5269340542	4596008101	4611341740	5247512633	5304631372	3693372922	6008276407	5478541688	4817275525	3577174993	4151963073	3253950834	6153114935	5040184608	4121623121	5143196598	7471973981	4427474885	2906388620	3296137608	8302318966	6221640804	6126577409	7062183137	4768249446	5310679044	5221666837	5275151405	6535662347	3281630560	3541157640	5806973393	7663274916	5156362266	2848961304	6183900858	5021104459	5110429740	7536364709	6204155864	6331981106	4523658287	6209913465	4734634285	3201508591	6078134378	7017782782	5310679044	5247195011	5908213989	5821921800	6521425691	4788861106	6021840112	5813585171	7180257032	4557687330	5649282588	5097278922	3490810289	3518030095	4307911354	4340278400	5310679044	5349023632
pipecolate	64045	64691	119186	119174	154432	153212	103037	58361	50574	57640	38727	52987	69083	89200	56629	44898	70309	75450	65068	60514	62129	64619	49137	69549	77895	52455	64045	62372	65282	73277	73374	71840	65978	75112	55522	31925	69801	45496	54353	63661	53581	75234	53803	51300	103158	39936	60242	74546	64045	64835	64558	69497	92881	60188	66113	61367	61703	51965	51643	75002	86011	86714	121566	120371	64045	65626
pro-gly	14588	14342	8298	8808	7654	6765	41951	9341	13946	9365	3760	6590	6864	39634	13220	9627	112164	13889	6233	6159	7556	10506	7574	15433	39532	7539	14588	14477	20016	11427	3994	5774	6468	9109	5535	5073	5271	5558	13374	19641	8606	13028	9094	7935	10774	5361	8942	11628	14588	14811	16367	31988	53469	10857	6438	10890	13503	7273	9154	13396	6655	5705	7091	7101	14588	14344
proline	8804510	8914311	9183679	9149973	12325591	12514036	11711049	8979663	8816684	7317122	4798997	7480309	6792234	12476551	7507416	6410951	12927384	10961045	8239807	9262180	6477708	9993558	8769949	11526769	14224454	8281251	8804510	8724913	8679112	8199724	7310880	6836023	6299201	9413583	6667089	4442955	8190022	6932499	8206344	9574014	8049025	9369920	6972913	8227678	7525291	5278448	8033132	9664458	8804510	8803063	10248581	12363136	12773409	8725396	7761018	9274421	10977979	9261201	8274403	10347075	7508303	7379662	10769446	10793952	8804510	8918506
proline-betaine	3603911	3662747	6098860	6115693	3739335	3691083	3697745	2516971	2358480	2557626	1960798	2435860	1629413	2865157	4619071	4231465	2988877	6476810	1650388	1248871	1762967	7274412	5045561	7246479	4534594	3043152	3603911	3613023	3633218	4917817	1082735	2783914	3285909	4375577	3712279	2730548	3122232	4939181	2360471	3071176	8944505	4740902	2856068	2966123	3710803	1582598	4331189	4976344	3603911	3568921	2708817	5764765	3254467	5239283	3224922	2236638	5956021	2463377	3658167	2567618	4403579	4404313	3065867	3027479	3603911	3624504
pseudouridine	1162	883	1803	2263	2819	3103	832	1460	747	964	693	1910	1197	868	718	443	1490	1010	2120	1792	1939	1159	1539	1558	2667	2111	1162	1062	534	1037	1200	804	961	397	1985	531	2189	1271	691	1005	922	1039	513	1031	733	715	569	895	1162	1018	637	919	2477	1963	1942	1826	875	3449	2267	3114	2041	2118	3712	3943	1162	1680
putrescine	257857	259620	344932	344382	291710	288913	193763	264889	242160	278251	244154	242269	201248	275771	259469	248183	239263	279160	230361	198047	230043	350017	311574	342947	303358	268409	257857	257894	262327	323047	215331	227825	283546	291268	255347	199752	297379	254460	254063	285483	284671	304535	246574	268228	226227	203831	295003	269818	257857	264290	245964	302563	270461	282191	259874	262782	256149	218736	259523	213469	304192	310615	270348	269507	257857	254504
pyridoxamine	3071	3399	765	937	425	1029	4452	5185	3428	3508	2451	953	1066	4391	2031	1991	14239	1550	897	1730	1044	2446	2048	1930	3024	846	3071	3858	2387	1388	1057	764	2587	2811	3067	1365	3657	2432	1753	2034	664	1403	1267	2539	1064	1164	1601	1115	3071	2461	2380	7702	7559	3364	2011	3331	3968	1531	2423	3216	465	780	254	560	3071	3032
S-adenosylhomocysteine	44746	44896	49147	43030	44592	44237	40619	42201	38186	47215	28972	50462	50333	46106	43671	32360	108243	42784	48112	56232	49113	41438	35204	56931	60272	69633	44746	52209	41074	58807	45153	45283	39492	36975	35309	24464	41819	31424	36597	67663	43614	65811	55161	26869	48034	35886	35083	48204	44746	44629	29617	65092	103208	30625	45254	34129	41804	47935	35567	59913	35958	39319	41893	42612	44746	49411
S-adenosylmethionine	276285	267575	264422	272394	374219	379000	276551	283663	265787	226424	192640	236093	228988	480952	246188	225911	375665	312882	268911	247718	264509	425827	289515	375991	454842	315222	276285	271518	248825	277422	254707	244196	232231	263956	209012	174376	306967	255390	256737	336883	300839	316104	271436	292784	226550	194400	265638	361229	276285	274879	261284	336459	321789	250446	259702	271608	309592	236556	209377	279895	200652	197438	317816	324918	276285	285235
SDMA	7948031	8078931	7001795	7128572	10747811	10534098	14067177	6659460	7396648	5160689	3315950	5010302	5240509	14938587	7130341	5373918	16380761	11169626	7204249	5540740	6671756	10185845	5800948	8433713	14901913	6456142	7948031	8252085	8021870	6163504	6493412	5213171	5111913	7953389	6287649	3380520	6640730	5064284	8235784	11414656	7672056	8478641	6192176	6037353	8864546	4006581	7656323	9311139	7948031	7789229	10083345	14151498	13259211	6552028	7398868	7574097	7629358	6201098	5914708	6046823	4288317	4512173	8740662	8578036	7948031	8314690
serine	100881	95763	82234	82002	92656	91411	189911	93163	107632	80220	56890	64835	66262	154081	95039	74925	222725	114908	68067	85293	74744	117330	113245	110845	194651	81455	100881	104377	127276	90047	64895	63576	62245	96604	73443	73837	80484	77319	105657	105074	86537	94516	79195	97983	116529	64168	82799	103396	100881	97607	130766	169366	178782	112623	65966	103494	121302	93250	80643	88176	67442	68798	85135	86951	100881	96245
serotonin	1476632	1527391	1952527	1965817	2265403	2256933	1157672	1597767	1508218	1551871	1103287	1410911	1280231	1891308	1427922	1215120	1233963	1918181	1468720	1276766	1370918	1948470	1459654	1740485	1808646	1595363	1476632	1501399	1331811	1771637	1475847	1361325	1474168	1799619	1243289	732160	1727526	1176551	1421384	1874201	1555918	1815141	1304057	1485614	1139518	996678	1562048	1879543	1476632	1479156	1466271	1771536	1517070	1252839	1527920	1436342	1613987	1349674	1460171	1640552	1616430	1642958	1968745	1943213	1476632	1490123
S-methyl-L-cysteine-S-oxide	115208	123211	124535	127000	145080	146722	105398	116200	94469	109289	108778	105183	114285	136101	105834	113251	112210	115266	111334	120864	115454	136508	125965	128236	145492	135341	115208	115097	111298	125331	120220	117339	127452	121207	93914	115719	128900	127586	98038	103693	107649	109745	103931	102357	88290	89841	98777	120783	115208	117896	111111	125052	132930	127933	127742	130031	133027	105545	97601	128072	100132	96203	120551	117596	115208	121580
taurine	26849108	26965531	31705169	32187567	36983891	36612851	20428838	26301003	25542774	25577893	19547700	25770162	25871821	30251071	24881056	21989868	26394190	30827855	30472732	29528154	28113304	30402283	25650803	29574527	30942639	29679076	26849108	26651258	24035372	27476009	28481062	26412854	24114155	30049596	25080062	18034339	28367966	25196704	26520580	30682173	25337054	31251199	26751335	26512441	25270224	22465152	26892790	30414278	26849108	26709947	26236954	29139320	28542515	25464293	28802128	26799241	28207785	27256937	25732715	29887751	28001570	27922134	33408816	32886289	26849108	26865252
thiamine	793845	812485	1377707	1360497	767402	755953	665696	257190	282027	263748	154967	409941	451504	451065	301258	438068	968667	571084	148686	1098023	121427	432289	554173	1984587	478234	265227	793845	809954	355202	315696	146507	286294	189404	1245272	249787	336068	456580	445322	327934	331551	1382594	531444	195185	182326	277269	169648	251417	344420	793845	804620	333552	1145681	3881073	2811868	563840	254921	6771094	596070	190109	4308700	796945	811782	719993	709245	793845	803361
threonine	143697	144969	125137	124558	128216	125663	322170	159932	175708	134635	112386	114677	113758	227688	129199	109675	260908	147871	101174	131812	102475	152806	144751	153437	255012	114226	143697	144626	175639	126382	101146	104126	94775	138040	107885	102772	106725	104701	138275	139757	119852	128609	111159	135979	151549	101436	123717	148202	143697	147395	182644	205008	207148	166175	93540	142892	162708	144355	124586	125040	105666	104472	120869	120643	143697	143239
trigonelline	816179	812975	1702283	1687065	951859	952826	949924	578696	599259	607643	567107	698422	441118	711161	993624	989175	633582	1203071	471839	352893	478514	1345171	1137431	2464106	814207	842957	816179	787668	395450	655668	235696	793745	799180	745163	925037	946164	745461	1014688	614564	586146	2577475	986290	647440	650860	857744	399394	852697	1054297	816179	816906	654361	800530	459783	1471826	546181	527450	972088	480135	677868	472995	1386897	1387934	868824	857837	816179	807698
trimethylamine-N-oxide	55727	56330	109560	106932	108261	111691	39083	55898	69992	58092	38949	62828	51899	41307	61498	43344	68852	43626	55830	45898	79064	79537	72166	79700	88356	95731	55727	56269	43145	89388	42455	45159	56980	27452	63728	31191	63518	55071	45252	64869	55864	67070	43773	47625	53166	27613	34642	42235	55727	56433	46529	14155	15386	129540	29606	15347	10981	54600	15141	55780	79560	80411	91727	88739	55727	54928
trimethylbenzene	3145	2094	2766	2813	2786	2722	2617	3426	2630	2111	2638	2785	2119	3295	3475	625	1768	3815	3202	3545	3056	3836	3450	3503	3302	2950	3145	3501	nan	3322	1970	2600	2839	3603	2464	826	3945	2136	1769	2038	2873	2387	970	3340	2064	1529	1543	3960	3145	3129	3067	2222	4489	3505	1146	4041	4059	2204	2341	2316	2548	3097	3292	2966	3145	2697
tryptophan	68614007	69760728	55985869	57521960	71665208	71628324	168371692	62596306	67759226	44981990	34966881	42644711	47200231	120020270	60023969	45623460	150500565	105002095	50111218	75102122	46241706	83961900	64698606	80198302	174527617	52707783	68614007	69491372	88782295	53855053	41346723	38615913	28922551	70296192	52028599	45219288	48613622	51862764	68144204	59995437	49100801	52868547	42601219	61204114	56424604	34915706	52607648	65653051	68614007	68826840	94461786	125126732	107317750	82172478	33623659	72359347	93078324	63832976	62044656	63041859	45359181	45498271	66942159	65250539	68614007	65614358
tyrosine	95149613	93914301	62729970	62685470	81051498	79295849	233856329	92183091	106432558	66094917	42193229	47862689	49992433	230111394	89042480	68509449	318220061	134051036	53470660	65930843	45024192	123577240	85900115	100149454	255475134	59284443	95149613	94923530	134619502	80934959	39223433	40392778	44692356	99883584	57816304	49505630	60976415	56845503	99986884	105220327	67623145	84809351	55562377	80441769	79321473	37567769	80745498	101752265	95149613	93708114	138376928	205588305	208952637	105095572	37255922	89026441	134410606	73458661	68460242	84120015	44806077	44459192	75461527	75026909	95149613	95407348
urate	48965	50250	78302	79116	151642	155502	64332	74549	48540	59630	28828	92832	55039	61472	38636	30137	93069	45472	80140	82903	53663	96156	86889	107251	122368	66468	48965	44738	29932	52591	49520	29142	34889	32426	68995	27390	101191	69602	39058	75724	44426	49513	33393	57546	37483	30867	47161	37874	48965	44959	57400	37915	126718	33168	76915	88292	59507	33203	49060	53180	49950	49488	117763	124442	48965	51683
urocanate	152817	151094	358617	361767	455391	466627	90781	109369	77144	86772	68721	195750	138965	56713	152985	115705	52989	80250	455454	472756	442225	42878	161862	185639	65287	336862	152817	158632	57298	240544	393113	214154	102250	80788	89110	97458	81145	168439	207516	134487	78999	97035	210067	119894	433844	139383	67456	73450	152817	153817	224206	150643	147399	143754	506310	272201	147839	446061	232139	385170	330602	335583	455757	456998	152817	156261
valine	422282819	417448812	352077595	349949853	453793487	451159646	928147593	431691773	463744930	314538938	197181175	268348600	250277262	809723080	363591726	281420648	801302177	600588302	314751866	391920051	257896214	571947440	422602956	495168701	1034456293	309313275	422282819	426544512	528455313	361318759	233423946	243539847	237570837	499908509	308418970	207043823	336472973	302148341	382692778	411367084	332918722	422008432	259016077	389986653	357418374	187183980	367743691	428279264	422282819	424686755	610626767	733796081	715482895	472385630	219637514	435618470	586472318	348725236	358801635	423943847	254016272	255673482	395291693	390097698	422282819	431470664
warfarin	844125	899635	86	124	78	nan	161497	112441	159972	nan	154298	283640	nan	nan	456874	nan	nan	273373	nan	nan	321	3164036	1356143	3987803	nan	2049754	844125	810523	1587	581631	1845	3801426	1422375	4525646	nan	62	2936381	6154432	5366502	369	818561	2722	nan	nan	nan	5011620	nan	2282262	844125	810965	755155	815	684546	2077701	nan	647	1695687	5604225	30247608	nan	917	nan	nan	nan	844125	771204
xanthine	1754582	1719814	2743796	2761445	2287138	2321398	1951442	1672153	1468089	2359566	562343	1584560	1586205	2163478	1703243	1277977	6908085	764681	1416719	2239123	1506986	563245	593486	2355332	2859993	1561733	1754582	1762362	1407138	2300702	1090387	1168461	1673237	284956	802247	330115	566816	574099	1625825	4335114	1208358	2866717	2446486	479696	1879131	1418923	1077731	1443665	1754582	1656232	787606	5321674	8141480	913474	1891272	1490668	1418315	897971	1283415	2717596	1912083	1843879	2173327	2233539	1754582	1727452
xanthosine	30187	32264	59345	57000	70379	71786	106505	36544	42552	39158	11617	62259	47422	54541	21495	18716	99069	13011	41482	131197	31984	20898	23813	64187	50234	35230	30187	32083	24246	28330	28526	21878	19047	6276	25356	11510	19852	23024	17130	49170	18739	25985	25567	16206	24780	19932	13836	15738	30187	30927	36245	35436	111441	14370	26804	55584	16798	18195	19040	38003	44377	45364	65392	66916	30187	29609
C14:0 LPC	355639	356398	470351	464821	362038	363816	913138	413556	460180	343919	268840	237694	146679	810677	377970	296801	343259	370131	226942	283278	197344	627654	440199	480372	365027	257111	355639	371515	575710	465262	132918	174513	317455	559317	235509	138085	307391	234200	405738	451211	480822	369665	264736	333626	397550	135946	418784	501504	355639	349382	426462	446850	341187	223433	289137	273757	479095	201552	234047	290367	324519	321093	356949	349911	355639	359145
C16:1 LPC	379917	372556	473867	481464	390963	380621	1156000	418437	622684	361076	362404	232727	150550	859669	403845	342356	480890	385584	235659	346892	185786	734245	386219	471963	326724	193907	379917	378495	671560	470877	112670	169352	358209	549478	246031	182828	288703	270148	362568	452045	537108	319074	309995	282685	335613	147955	425917	442914	379917	358412	454996	615217	456705	240690	262712	244821	432671	157124	182161	276051	362046	373448	360502	366738	379917	386568
C16:0 LPC	29283299	27595390	34119579	34513180	30330836	29399816	58129873	32662698	29253931	26490409	22783145	17079478	17285732	44380973	28331211	27175242	34610798	27883476	18467221	20249236	17872898	36158356	28650199	28898586	28301107	19651757	29283299	29462716	35834975	30875254	14679869	15878109	31082352	38132852	23006420	17192797	29116552	23695651	27762633	39956374	36383411	29609814	25834211	32442598	39364056	18907230	32015330	34293800	29283299	28637080	31569326	40941367	40310632	25144166	30387896	24883714	36171296	21400029	26922211	28587488	27535271	27791637	29584622	29863963	29283299	28765184
C18:3 LPC	408242	385854	386121	382350	312289	313162	880927	515823	415581	355865	447312	241822	262488	693075	383867	475880	456068	322949	245254	259332	254865	503616	383613	357291	326106	254412	408242	412869	473295	413094	195374	206186	383388	452358	313757	325015	422110	331759	333702	442092	501995	375617	423006	481445	506583	302641	429046	479847	408242	412695	408213	518761	593826	332902	452505	341404	429771	320029	297964	419075	304005	310687	303537	309735	408242	390783
C18:2 LPC A	1102834	1022645	1776477	1742991	1613582	1560148	1466857	1068925	1163203	1020511	982079	1006066	734317	1082402	993958	843084	1644884	1049844	946889	1105826	897992	2047557	1491667	1807977	1058857	1206705	1102834	1150456	1309418	1303565	631383	745900	918241	1226647	955654	718718	1117033	1027279	911099	1112026	1284232	1089275	995497	729788	1044222	597776	1000471	1069272	1102834	1122543	987082	1755505	1304818	887696	1052204	919948	1085659	651615	851579	1235720	1554216	1625182	1587341	1604054	1102834	1102099
C18:2 LPC B	602736	623938	641075	645994	480979	482148	1851982	753067	624977	557631	601252	379390	333787	745453	523042	580557	893015	529552	406623	378955	372802	899076	724691	886166	562872	391352	602736	576752	745092	638528	253326	333514	564689	493617	405395	361156	411019	506486	567029	858473	809300	555093	671374	468084	760712	336513	666275	571053	602736	592004	800737	1099864	712403	576581	673031	629458	618242	321723	427792	529575	633652	618590	462063	468130	602736	596516
C18:1 LPC	1239984	1236928	1871590	1825057	1662032	1664342	2231730	1307430	1156393	1086414	1031216	846707	907461	1859090	1140969	1133706	1870422	1081180	989845	1304228	1072827	1857171	1328125	1548484	1175741	996544	1239984	1231759	1465879	1280379	684198	730669	1149597	1341987	1011626	744547	1112551	1034926	1083519	1662739	1496465	1239214	1218701	949125	1210893	729610	1268471	1241162	1239984	1218516	1278741	1814387	1863391	1066260	1448680	1192415	1318631	823541	979295	1485794	1460126	1528535	1604516	1593481	1239984	1222631
C18:0 LPC	7986127	8027096	8649095	8635671	8497662	8454362	9316841	7876018	6009918	6449807	6131355	4856576	5980651	8613358	6682921	6483197	10921832	7696630	8317804	8346198	9082932	9386418	7704302	8954091	8952335	7561275	7986127	8107218	7895977	7407596	6332345	5519306	8004097	9060606	7413317	6467071	8249137	7379712	6352659	9571436	8151125	7642425	7990289	7449971	7383532	6258307	8223677	7828551	7986127	7993988	9695337	10086789	11283432	9131082	9771224	9683866	9006699	8359875	8626470	10106927	7751000	7819274	8424187	8443894	7986127	7879499
C20:4 LPC A	1825707	1834718	2430480	2417979	2571149	2670504	10638243	2091408	1556263	1201352	1000630	708716	911744	3928477	1404833	1119951	2775213	1920002	1102086	1355032	1106893	1855135	1211398	1724539	2324807	1031978	1825707	1854774	2121088	1334534	789416	702334	1485444	2180355	1018688	456664	1294734	984075	1595470	3358134	1864320	1641543	1412265	1808957	3602010	762662	1846925	2118110	1825707	1782019	2567878	4554172	2528982	1842779	1678153	2062945	2205671	1335702	1892168	1837343	1988964	1886132	2039149	1992262	1825707	1813738
C20:4 LPC B	80146	82989	148876	143316	139020	145014	142268	68136	85367	74259	74946	58819	92892	93130	78460	68550	107012	57597	72987	107034	95092	70865	79032	83122	83791	87360	80146	80843	83214	76670	65814	72862	68223	105085	68943	51432	56188	64824	69064	91610	75655	75222	92724	77156	109059	91504	81393	108344	80146	75244	64343	66512	118932	79469	87792	80303	54464	74188	70400	113536	135450	132336	136399	139473	80146	85753
C20:1 LPC	236833	236399	359948	363535	402727	420135	235862	231827	165133	142347	107984	103081	130743	227286	130880	143108	542341	226801	224605	250433	227714	399144	206888	327817	284083	194792	236833	240801	216720	213311	129911	111922	206696	224590	191223	111313	236867	196758	177865	457378	288832	256895	261205	181101	194924	107453	250059	195684	236833	242846	339180	568030	681957	264907	381924	378928	270618	233011	258527	410389	279785	268498	368776	361432	236833	238679
C22:6 LPC	431789	420509	927772	895831	1014191	977411	1309942	233726	236051	203118	128401	120169	272538	1090515	367415	267286	1585624	504687	337274	667301	462805	343249	201897	371039	541299	334629	431789	437224	523788	267116	210998	203123	225718	439910	183815	91760	189763	171367	477166	873211	400435	484130	399360	325763	486617	167838	306184	451136	431789	409202	438251	1011963	1266071	326096	400434	274461	425220	237577	194710	674308	654853	616741	833886	856099	431789	419425
C22:5 LPC	95593	94937	292284	272605	305033	300389	333974	77468	71381	65680	41424	62893	88470	146746	69994	48272	223179	85388	126519	209397	141515	86615	67166	106472	98453	111830	95593	98439	79726	76384	72277	65175	53286	80344	51976	17391	57932	49271	73471	130366	74534	114249	86510	55192	115447	43730	61580	75976	95593	94337	76686	172771	200068	62511	97360	63595	73903	52967	57537	159034	203853	190032	263038	262793	95593	101712
C22:4 LPC	127675	118749	480997	447898	491259	489323	173156	122666	82334	87658	45099	125005	158872	113030	82578	62904	210548	100953	178561	277082	223115	87668	84736	128711	117872	165381	127675	134060	48302	85073	123441	104903	71615	88216	73856	29089	91071	72468	90436	170804	93436	168762	140290	92603	132143	79935	87956	121597	127675	123768	88441	190625	255874	99517	182116	114590	92937	101993	115450	262612	319492	294422	443287	429048	127675	133589
C24:0 LPC	109130	89548	122936	117685	123937	123410	77744	85516	95782	85359	48499	93385	65819	75498	84858	60294	124611	128175	133831	120331	122275	135566	121977	149196	147970	142362	109130	107231	93587	102203	93021	86904	103467	126486	107050	53105	109156	105496	120097	167851	113500	130109	89633	93498	86437	63077	123404	112146	109130	103962	137739	157505	124984	125286	151252	132095	138507	129497	148132	140594	129250	126296	141808	147038	109130	118703
C16:1 LPC plasmalogen	82445	84931	570070	587205	715649	721254	88206	18165	18749	34082	14176	39446	116449	38484	27252	15006	511573	26437	151170	270181	245203	17575	12908	52984	86720	111972	82445	81891	23035	45440	84817	60293	30747	14763	29300	14389	19826	15616	25315	163082	30798	108669	101042	17282	116942	53599	24977	32002	82445	83809	16893	143504	625180	37807	141401	22318	26004	55638	40307	352102	456077	434862	697851	687807	82445	79446
C18:1 LPC plasmalogen A	807176	772532	4718408	4799657	5582725	5370863	139332	120485	135316	244319	52899	319229	1122258	205431	273773	114177	4818913	150243	1037029	2458603	2136145	69338	96808	472966	640168	1008082	807176	784749	134826	322016	680077	474542	201281	60797	289136	80630	119026	124055	207333	1201798	268990	953947	893073	97335	425383	474507	160554	196522	807176	771875	83028	1696635	6148377	402908	1933175	187880	210483	527989	388433	4248823	4209238	4126816	5310722	5366836	807176	826983
C18:1 LPC plasmalogen B	157240	150576	977212	923657	1151260	1155438	81767	56651	53444	73466	22282	91521	190026	77597	60313	32919	902650	72649	227926	446385	356907	51837	46204	97760	149756	197328	157240	161245	42691	85118	132396	85031	48547	50937	59889	21198	51325	45214	54487	220338	64343	153950	133169	47379	119662	70271	48838	68417	157240	149039	54226	249596	1184516	71012	229415	64016	80272	105815	87986	568611	640075	614850	1064837	1043940	157240	161466
C16:0 LPE	2545772	2592654	2253800	2298626	1523157	1503216	4459909	2478484	2755650	2335962	1897748	1149419	1053695	4076838	2369111	2491128	3653861	3176304	1133594	935244	897605	4083067	2888411	2951583	3556706	1410429	2545772	2565407	3016596	2706932	825121	1068322	2614926	3418146	2063162	1479120	2923509	2332016	2402628	3613463	3474383	2600027	1881028	2610938	3117207	1315597	2960985	2713053	2545772	2592268	3257413	4452739	4445079	2459424	2948261	2608265	4128307	1749749	2228628	2137999	1546969	1588167	1405710	1396318	2545772	2456148
C18:3 LPE	169052	169823	135413	134672	77031	77874	276538	170327	184339	165574	143007	88475	74105	251700	169716	180312	223072	192569	78876	66389	65155	268237	202309	188749	216464	100039	169052	169993	206275	189054	52142	67123	182928	209387	133821	113054	198936	164607	158068	229276	221206	171554	123068	186348	222678	101327	187643	185583	169052	178024	204648	266031	284900	163324	197525	176784	228716	115221	164537	140403	103525	108709	83365	84449	169052	162850
C18:2 LPE	198078	197745	261118	251288	173548	174660	284226	176937	229725	165600	138466	94522	67509	245074	188511	174428	470938	238231	86321	90313	71228	480867	281438	359818	297163	123194	198078	219280	253696	248850	51156	72764	157905	265276	163950	119549	255516	187791	149317	208379	230267	183418	117867	116598	134473	58212	168532	147219	198078	193165	239753	500333	410990	187345	215125	198451	353884	114556	163693	202760	157111	175367	150729	146426	198078	197622
C18:1 LPE	1024991	1073989	1283534	1286472	1031511	990524	1662287	977893	1105894	873289	701387	486161	463582	1523421	953426	957072	2140519	1305965	510262	530073	450321	1788230	1138968	1432069	1476212	681032	1024991	1061811	1041399	970786	324447	435172	861847	1303371	804280	570406	1156473	882224	901132	1363308	1135404	959037	762144	764890	994930	423653	1044806	916068	1024991	1036140	1368555	2226867	2174777	1096224	1316142	1214880	1873687	726015	828028	1086851	829442	859016	947270	908972	1024991	1066902
C18:0 LPE A	6800839	7066400	6133650	6238475	4342647	4195362	11419794	6557089	6470291	6002832	5012521	3057176	3230883	10700787	6480743	6946206	13352437	8336923	3033334	2644092	2884140	10446032	7721893	7552399	9674259	4096805	6800839	6927411	7277006	5774302	2260968	3054052	6231379	7757874	5270847	4772551	7323559	6272912	6271021	9553622	8437549	6234334	5453443	6697038	5712243	3801916	7345839	6243716	6800839	7270210	9939804	10935039	15811352	7958241	9770120	9432783	13134482	5586593	5566945	5580827	4233169	4304165	4192954	3975355	6800839	6863141
C18:0 LPE B	341646	334479	541790	514534	397397	363191	840046	498748	456558	322938	283103	222329	149861	660211	354870	289843	365346	310767	174677	164913	144163	468800	382433	365197	312358	217754	341646	357667	546128	486482	147558	168212	346623	487604	237406	172904	327329	246339	330958	549318	466430	353116	256969	361051	405446	149036	419163	431021	341646	327522	349922	445764	418852	296028	305332	262836	443255	227425	286489	281786	367479	364628	422893	425200	341646	377576
C20:4 LPE	537932	536833	648316	651554	652367	610492	1674176	617331	513600	435698	395895	285655	367653	678641	452745	417234	1205876	485319	294705	415257	403935	495722	505190	600061	558961	386452	537932	525996	574562	445752	276837	304107	390349	375989	314010	256797	337461	313331	469262	688822	582634	466878	458104	402369	712662	302264	422823	422207	537932	555589	884941	1269569	1237185	517274	709479	646186	575059	394299	400207	556696	573768	569710	570163	560267	537932	543020
C20:0 LPE	367116	389742	515079	517090	469553	465464	613036	439950	379446	313107	300225	249542	256840	543677	338741	310199	445905	314126	256479	244522	249742	434181	339150	350772	342036	260337	367116	352354	464699	427992	243930	219837	377660	398965	282028	222742	362496	288416	328572	508156	426077	360963	320958	360408	400771	222144	400814	373634	367116	346189	363950	415356	496784	374437	408169	375182	441899	292027	356416	385683	392716	390491	426226	410012	367116	357321
C22:6 LPE	132608	145099	261386	269686	285845	263122	487467	77967	79685	71516	65876	42956	122872	167928	86448	70735	657508	80694	83032	178299	134381	79926	76825	129816	137568	97267	132608	129732	126817	105523	49648	61308	70963	60323	49626	50133	62188	50617	85032	185935	93690	112539	134908	67671	211416	64839	68704	70234	132608	132490	151387	278949	721557	115530	204636	111660	92150	80155	69702	226057	192684	192614	201145	216083	132608	138677
C30:0 PC	7659256	7436488	9828398	10124153	10298823	9496023	6697204	6083627	8105796	6397965	5030510	9022755	6699444	8153778	7659700	5012409	8146766	9087595	11129322	10889177	9665174	9879419	7980419	11129235	9992531	10838933	7659256	7989887	5965006	7496276	7694723	7722658	5535569	7384253	9355627	4156255	8291320	6604682	6467267	8759461	7164552	9797452	6930788	6070150	8984556	5224463	7306642	8082198	7659256	7513223	7262933	7404665	7937708	7101154	7571109	7678938	7895207	7711830	6661308	8317883	7656247	7512119	10129812	9851546	7659256	7944998
C32:2 PC	2441320	2354237	2433406	2472012	2384988	2169747	2272658	2230761	2828050	2217820	2335852	2679097	1553257	2511455	2396989	2017126	2175315	2741839	2363305	2067486	1944808	3940036	3231307	3766558	2717244	2539355	2441320	2495570	2855561	3326596	1809855	2233924	2223440	2766155	2458472	1940624	2856138	2296797	2504631	2422436	2636229	2616311	2134704	1893170	2908780	1528595	2567647	2575617	2441320	2480278	2373282	2481724	2196410	2008711	2206683	2014143	2389825	1765016	2047910	2272070	2049277	2146595	2232533	2188274	2441320	2318199
C34:4 PC	603867	584414	730692	766085	803737	890924	749551	575472	673588	509298	453792	606847	564358	800731	548377	458833	481162	512069	614413	720174	652043	634251	583477	652520	590627	586368	603867	554159	627735	662208	543910	536450	502516	592497	476506	396814	520292	418023	680521	721857	576574	639489	534742	588952	1031662	509845	594928	675527	603867	657414	615248	589538	662405	489559	661431	496022	562968	605841	502249	633769	652577	609006	810863	807489	603867	553483
C34:3 PC	6321119	6164834	5909024	6067319	5709932	5539689	6466644	5386327	7430139	5739313	6006292	6596666	5272021	5805972	6133583	5416403	5864600	7188464	6764273	6375175	5820777	9056679	7156690	8019470	6557475	6372256	6321119	6407658	7206630	7388153	5570075	5926219	5452976	6681129	6311152	6106116	6823817	6346395	6017800	5986415	6485723	6314232	5832156	4981674	7160362	5390296	5981848	5971343	6321119	6342254	6694777	6878050	6402246	5509497	6048016	5577810	6302461	5889839	5114335	5552200	5634588	5719484	5630279	5670228	6321119	6282220
C36:2 PC	155375090	158001039	126305385	130256738	101039822	105977028	125874075	156979070	151842384	158945636	154331155	124806594	106491346	143596279	152238322	156310053	170565042	188132177	121513657	100328804	99125378	195867925	177285147	179051691	175566188	121918363	155375090	159356418	154657341	161932402	107869013	116540150	168359345	169458327	159733851	148248116	181794576	173153134	159783521	168645222	191738085	160443940	148881021	165636348	123602372	121793961	163456805	156895099	155375090	158152350	184666012	189485145	148983212	180716210	154435524	177078051	190116744	118701825	159364671	127710473	118645728	112746644	101089013	100699246	155375090	151965032
C34:3 PC plasmalogen	165540	164940	580435	614524	674319	674657	283894	197899	167182	183384	152941	370559	316435	143080	101880	84417	109931	139815	375453	412333	435227	137141	143716	156625	138490	372538	165540	203576	95482	207156	399249	296904	86482	113524	129404	84418	111315	108997	131409	120452	110806	188673	176800	96856	377424	172744	98854	177363	165540	156475	137596	134811	163112	127361	168533	130912	96518	145717	105571	207203	281744	264293	571640	565222	165540	134339
C36:5 PC plasmalogen	6353557	6537405	10865108	11133757	13246194	12829478	12865091	5512064	5298915	5133403	4408086	7554049	8658392	5495905	4963279	3988683	4983844	6243940	10235033	10981285	10334978	5911719	5218161	6260631	5957692	8732085	6353557	6257329	4510143	5805465	10125591	8167700	4318685	5300532	4921117	3994130	5399353	5011443	5836813	6143759	4848412	7147630	6303760	4827429	16100261	5843415	4697840	6771931	6353557	6135415	5139355	5441607	5064521	4981723	6178631	5210759	4694159	6628253	4776028	8155380	9140291	8930713	12122994	12706171	6353557	6293318
C36:3 PE plasmalogen	381280	396909	727949	763684	742199	738637	425687	390403	472869	441174	386606	589353	513605	352768	330062	296333	387433	330220	609054	583771	560158	312697	372666	380905	371657	597239	381280	374285	322052	373125	565635	488361	304983	313405	407909	303024	336701	326021	343320	374242	303173	392434	370944	316176	473938	357183	340967	383483	381280	394455	373997	360234	404895	381525	408320	382787	320503	400714	314457	419390	590491	579567	854365	848418	381280	392159
C38:7 PC plasmalogen	1004475	972026	1696973	1680975	2042371	2024745	1621582	813522	698749	682264	550214	987759	1136596	941705	764622	597828	843137	1110618	1551270	1692042	1544382	985698	827002	1014516	1106317	1338460	1004475	985150	725723	1037295	1536477	1186616	721186	974719	803936	595582	968527	804857	847980	1004591	794354	1127856	883720	820021	2309133	845014	716143	1071355	1004475	989600	858037	920669	913643	795389	994143	890096	820023	1056333	805621	1354253	1267013	1284581	1847367	2001935	1004475	1014697
C38:6 PC plasmalogen	3140478	3156839	5243663	5114776	6487231	6358520	4969439	2748744	2687414	2360722	1916143	3459895	3849041	2828319	2519330	1870115	2530022	3292994	4856836	5202363	4908619	3114509	2734294	3215986	3153295	4086974	3140478	3032029	2207626	2974406	4543191	3433229	2052497	2916342	2844990	1725844	2894740	2540265	2735206	3155933	2508043	3615044	2865396	2458923	6767376	2460227	2375814	3276787	3140478	3113233	2750585	2933008	2753056	2529794	3311678	2859753	2697395	3469592	2520803	4239014	4158094	4079687	5786720	5929449	3140478	3139485
C34:2 PE	8646424	9059406	5817888	5875386	3220332	3073577	9566789	10346597	10132772	10106759	10943634	6419351	4442439	8818942	9423950	10026715	7950870	10026917	4918802	2943878	3063952	12159956	10801783	9842629	9237356	5015344	8646424	8646221	10526201	11142054	3904194	5391624	11186587	9452904	8254702	7641391	10278214	9233218	8971921	10228710	12076821	8995585	7716904	10502336	9105031	5976624	10185786	9732186	8646424	8745332	8488843	10347950	7026077	8303556	7416221	6940471	10308883	5170540	7589488	5553444	4774028	4699160	2931826	2956028	8646424	9061755
C34:0 PE	3950975	3782816	5712213	5805198	5549027	5133880	3648742	4045681	4284859	3646720	3027890	4669868	4137491	4039276	3852628	3099252	4052898	3704926	4984681	4686434	5005076	3753485	3664774	4287091	3809974	5816145	3950975	4159707	3758839	3930996	4866599	4421858	3052178	3842686	4000779	2656158	3777505	3168692	3667108	5008368	3709724	4850601	3719761	3534278	4262054	3421807	3936506	4123693	3950975	3977938	3558024	3196931	5010030	4756065	4514991	3941612	4202705	5127769	3705342	4127628	4389336	4458651	5766678	5759207	3950975	3890977
C36:4 PE	9237291	9509561	6600069	6943694	5282457	5320186	9964452	9822565	8626045	9348593	8680958	5620969	5294471	10838193	9473167	10790472	9015525	10824494	5794800	4321069	4521056	12259006	10857134	10530649	10939975	5926501	9237291	9195700	11162660	11270018	5328762	6174672	11584104	11480465	9259845	7726929	11316448	9322480	10199835	11821372	11875423	9553078	8434886	12500109	11444607	6996090	11900095	10846763	9237291	9451403	9774164	11146854	8608639	8918413	9115709	8217105	11534908	6193545	9437611	7330364	5859634	5773396	5065455	5042675	9237291	9528833
C36:2 PE	19834052	20336843	11712036	12048664	7339357	6971813	19736320	22958500	21778591	21854591	23340363	14503976	11787195	18682295	20511493	22598117	21862146	22688283	12919903	8614040	9302246	24625253	23963449	21309391	22263008	13200290	19834052	19982712	22036883	21192337	10185235	12786345	24765353	20632037	20938961	20286891	22680477	21792713	20080253	21300519	25388095	19192484	17777305	23276158	15817480	15466414	22031835	19577674	19834052	20326919	23862695	23669964	19387395	24105310	19594220	20910649	25031002	14688998	20165257	14144660	10678680	10785192	7321323	7224184	19834052	20923927
C38:6 PE	3192646	3294514	2837312	2937065	2873962	2834279	3187620	2927098	2695814	2896618	2507034	2347133	2501750	3794874	3102196	2933134	3342476	3822231	2848434	2563469	2448074	4007668	3482709	3891273	4115561	2861972	3192646	3189676	3693721	4020649	2778873	2692164	3423135	3849825	3205898	2390512	3784103	2963914	3250399	3670496	3378940	3454493	2983859	3598447	4366608	2661358	3521946	3626075	3192646	3284110	3233823	3569304	3199693	2975896	3224813	2991649	3733786	2499090	3232313	2953197	2478428	2465440	2598608	2631681	3192646	3169943
C38:4 PE	31875130	32531469	25611376	25960933	24277587	24064942	29583110	33597951	30217967	31684704	28479614	24086130	26066070	35174623	32167552	33086142	34203029	32919179	25367195	23521952	23569838	30773798	33491197	31104824	36135788	26829205	31875130	32035671	34657508	30840323	24951736	25526591	34870749	35136165	33605384	28160425	33604466	30091141	33543559	37164219	34989369	32948588	31063718	39432095	27442988	29064122	37300100	34852596	31875130	32355287	38716417	37094119	36835072	36916245	36949642	36558084	39792512	32173260	36652341	30418571	23253832	22992074	23823798	24136352	31875130	31710717
C40:6 PE	5176925	5369705	3294455	3324396	3211934	3135406	4483729	4728272	4343405	4715237	4139410	3174123	3670772	5746806	5127934	5337013	6249106	6267556	4244717	3610489	3873533	5989978	5519187	5816898	6815700	4056598	5176925	5078225	6464622	5982060	3705840	4065596	5939759	6084262	5543885	4525110	6197476	5412250	5348364	5861558	5879073	5075960	4937637	6476453	4322629	4420818	5738743	5250914	5176925	5034478	6196165	6046537	5781527	5927388	5485262	5779190	6706505	4714568	5688032	4468023	3080918	3000071	3058697	3137676	5176925	5233333
C34:3 PE plasmalogen	142135	149478	351419	374650	403791	403894	244989	124912	161901	135837	116279	212856	216837	126581	125017	96410	140856	114013	294998	304226	281112	110272	129018	127810	130793	244296	142135	143167	121927	140726	260524	191976	121557	105308	159185	95082	114190	113316	117161	128792	106256	150090	126463	105397	316361	132702	105039	136133	142135	136112	121306	109472	134583	117892	147045	125572	96426	128203	104255	169016	231815	237323	457201	439615	142135	143091
C34:2 PE plasmalogen	408192	423118	874952	887390	923271	900259	662079	359051	481935	388833	361011	563869	653450	345715	375168	310404	377374	324345	743426	829723	750149	275341	359594	362187	352714	624438	408192	417268	358408	361870	686069	591455	344630	284057	452828	299795	311221	326910	377468	414258	357879	440200	420225	374827	738627	446028	329965	384184	408192	425037	366120	334601	383622	375206	457548	369114	293504	433793	299093	430689	670494	670830	1093779	1059077	408192	429482
C36:5 PE plasmalogen	7325192	7481971	12589283	12549459	15350126	15030242	11701864	6384072	7371515	7035459	5775156	9583240	10699701	7104359	6472207	5149012	6109740	6084575	11528695	12460898	11232062	6059118	5899305	7185372	7368332	10089055	7325192	7292842	5728420	6720927	11141529	9733709	5536681	5533921	6787358	4611657	5740715	5513684	6772643	6927836	5516305	8113323	7574377	5812248	14473987	7173098	5679677	7546461	7325192	7290232	6293352	6414664	6155170	5876653	7074106	6372960	5402792	7188932	5470047	8868920	10818754	10693690	14313360	14588800	7325192	7282283
C38:7 PE plasmalogen	2547411	2562835	3632420	3582130	4360710	4273386	3232464	2140559	2197569	2174418	1762764	2550043	2963817	2576880	2336967	1850025	2423911	2456247	3689087	3686253	3518949	2396169	2187307	2664581	2993744	3134628	2547411	2532389	2250846	2802572	3440291	2992774	2182802	2354010	2641573	1639719	2393992	2233311	2247909	2584347	2208131	2845076	2531318	2299195	4513047	2273375	2121868	2613730	2547411	2534541	2316310	2436778	2400037	2073799	2537875	2366235	2172420	2374956	2082986	2978612	2952415	2875420	4031635	3975997	2547411	2568566
C38:6 PE plasmalogen	5600292	5689389	8928052	8809646	11047123	10887999	7568535	5321337	5661542	5435755	4372612	6755646	7273234	5655795	4953876	4054512	5006203	5176339	8681668	8318343	8156076	5242979	5020927	5722699	6023179	7710644	5600292	5585194	4626252	5942038	7783693	6762806	4380402	4822347	5521615	3549639	4776381	4526660	5100697	5492723	4506726	6163340	5699384	4614292	9619392	4861685	4517494	5759480	5600292	5525202	4862607	5174815	5059606	4575009	5563955	5070724	4231227	5483568	4460700	6449085	7581433	7497067	10097828	10103692	5600292	5653730
C38:5 PE plasmalogen	14684735	15031570	22783561	22491412	25803324	25463031	15350468	14415321	14919074	15945950	12096224	19692829	21381588	15572549	14043096	12376559	13829287	12126997	21403260	22270094	22681401	11500105	12460219	14164967	14618918	19765537	14684735	14466085	11528836	13351223	21016640	18425877	11706581	10979819	13439446	10278912	11422937	11857537	13827936	15036846	12497085	16034478	15616492	12804491	16140602	14641583	12548580	14852340	14684735	14366631	13578357	13388897	13590278	13173239	15663479	14115625	11832389	16512325	11821371	16885898	21065000	20857741	25585729	25397657	14684735	15002661
C40:7 PE plasmalogen	5064363	5342906	6023867	6065577	6796520	6905378	4647666	4589878	4201883	4644326	3560133	4832510	6038460	5846678	4796094	4337325	5544579	4887752	6493835	6279216	6963540	4297218	4637114	5341701	5810753	5953796	5064363	4657822	4217913	4955928	6405809	5714918	4358527	4376117	4773262	3635398	4556061	4438417	4866938	5661806	4825804	5673964	5554703	5026376	5033206	4794717	4791737	5200695	5064363	4916641	5241290	5072109	5063092	4862785	5429952	4876478	4726266	5115669	4254299	5186725	5533707	5447599	6721432	6774009	5064363	5031296
C36:2 PS plasmalogen	102380	105184	200688	190366	126527	106539	76164	65019	80762	114735	65414	52161	16393	67897	94820	87021	119452	173003	56720	40908	44201	280435	183026	230637	128327	71419	102380	134013	186730	193755	27191	42442	140355	191430	94895	91969	198580	89515	27754	51373	68730	39635	22388	34136	39622	6836	41867	35684	102380	96117	35710	49724	16850	23188	34365	24816	48413	49105	83718	58466	99041	96844	124113	110953	102380	99823
C14:0 SM	203434	211820	131628	153418	159103	170475	139450	185174	171300	202994	128827	101434	69252	225810	150735	177330	215181	239401	229702	107500	129336	368923	216263	331908	312033	157043	203434	205419	257280	288500	90270	99444	300721	217496	197508	86634	277886	227232	171962	387469	308278	243248	242017	244099	152479	118408	296416	255120	203434	216565	211389	316203	198534	257561	277505	203100	285492	174468	205996	192418	121149	106535	138467	152895	203434	214898
C16:1 SM	6056953	6006991	6228534	6865238	7788560	7559166	4186704	5822360	4570399	5470226	3226774	4704191	4602828	7008862	4141416	4212751	6346234	8878847	6977275	5667842	6692712	8908356	6348095	8743512	9046194	6952280	6056953	6053946	5256829	6821238	5600991	5293617	5832192	7427623	5235849	2749902	7614706	5428092	5723321	8838716	6284933	7523906	5837259	6309497	5861455	4056484	6757823	7369991	6056953	6241921	6392313	8758766	7355047	6089593	7231260	6785493	7557095	6471935	6029293	7288669	4869809	4696826	7182858	7048252	6056953	6224466
C16:0 SM	57237199	54745496	56159817	61206623	52030220	53335346	60069974	58576663	52230223	57867287	40650896	52908120	57026133	63095282	48665202	48793988	53887047	56512326	47621538	60349875	64487603	57986819	58333831	61902175	64442325	60999399	57237199	57948145	54671958	57616297	61745120	58625648	54651726	50042565	46963588	32338050	50812866	48186474	60294180	76638207	71403803	72388728	59684804	60182956	58658701	52353966	61376371	66468316	57237199	59288005	58172520	63672777	55900045	61484992	63837075	63698653	65667259	69573459	50372484	56465224	49821681	49501663	60903886	58714021	57237199	59024459
C18:1 SM	4216463	4219446	6858010	7157890	9058845	9381423	3532906	4137896	3884526	3546245	2178585	4978108	5247537	4956090	3077205	2348663	4063817	4366318	6916979	6622638	6820246	4204285	3485362	4118400	5234801	6117760	4216463	4277504	3083756	4083122	6167356	4666271	2794119	3626843	2636001	2012700	3368724	2923861	4125381	5542728	3536702	5826589	4257321	3765861	5074340	3304310	3690578	5683857	4216463	4554848	4124998	5105421	4567793	4040841	4395304	4455375	3990236	4311269	3353217	5552574	5460637	5478612	8884075	8907605	4216463	4447931
C18:0 SM	8441961	8502968	12672610	13239891	13673770	14026712	10358512	8343565	8838931	7830357	5125545	13164314	15066368	8081101	6652822	5155195	6763935	5738040	15043736	16989915	15665171	4930874	6251670	6184711	7472937	13995322	8441961	8619687	6140731	6511569	15368685	11412136	4910634	4422636	4930603	5863935	4412210	5150943	8146801	8667133	6979171	10502922	8411154	6492141	10068815	9152051	6250273	9186135	8441961	8842763	7344745	7287935	6567899	8557666	8765896	8048153	6066770	11650474	5603261	9030317	12099388	12100125	16354797	16299570	8441961	9039783
C20:0 SM	1684919	1847452	2686422	2734795	2885187	2877011	2673733	1754727	1947102	1576533	1000643	2714621	2912357	1675114	1301885	1054523	1336346	1234665	3354503	3527633	2928703	881123	1034446	1205573	1579097	2729524	1684919	1764132	1203303	1300719	2851365	2327568	991439	862643	904274	1235825	882803	950326	1766298	1582654	1243155	1970811	1534789	1296838	2279691	1775293	1232817	1713636	1684919	1754311	1508488	1339973	1327681	1590622	1565166	1459823	1074963	2137453	1065338	1820347	2534835	2459943	3599153	3644929	1684919	1709601
sphingosine	2874368	3011529	1726610	1707954	1371702	1402943	4816271	4070458	4127071	2621173	1819625	1273398	1398154	5227764	3001561	2719087	3179437	3668463	1857090	1337293	1603769	4520012	3989109	3166736	4418172	1594360	2874368	2942180	4437376	2657627	1348241	1585541	2353305	3006274	1976529	1749121	2541087	2280193	3091935	3186134	3386796	2990588	2132822	2957248	1961460	1360806	2925662	2995451	2874368	2953565	5871007	4435930	3235335	3430273	2497115	3862838	3764310	1541453	2210989	2151198	1367972	1397764	1288296	1259946	2874368	2831982
phytosphingosine	6642975	6660073	1727386	1697493	550118	576644	5062365	8082279	6633312	5637974	6054626	2390061	2064703	6634205	7310245	7861309	5958482	7517770	3420569	1361708	2235674	10277764	9414272	5670957	8555901	3196474	6642975	6854801	7819738	5903541	1956077	2787432	7772224	8902502	6860975	6637109	7877100	8436675	6291386	6990840	9324879	5391109	5323179	8427514	3398978	4396486	7717601	6192388	6642975	6666534	11553380	9554304	7240235	9098302	9314454	9507173	10801006	5287171	8250398	4802598	1439260	1469630	521065	529262	6642975	6598860
sphinganine	375737	386948	222425	219747	235045	235477	355734	490188	415242	308486	272225	226872	196250	410371	367433	363861	352936	340205	427277	249497	273598	498094	480857	314640	490656	274846	375737	392191	437330	358962	210678	235212	371471	399043	294427	247888	339333	325471	383027	374132	525698	397953	318422	385237	251454	245252	352504	396164	375737	395157	623942	516193	474540	557744	499351	556890	569704	359760	407131	346063	177001	189880	240018	234918	375737	376071
C16:0 Ceramide (d18:1)	2702780	2460000	1828226	2010757	1304998	1348434	4090456	3110453	2898648	3222190	2535765	2354743	2429579	3356154	3015158	3774528	4351048	2591540	1761258	2361646	2245120	2020965	2582642	2254563	3149156	1952515	2702780	2707577	3162042	2656958	2032836	1831328	2733493	1556509	2699742	2310038	2052400	1817677	2641524	4135857	3113605	2666485	2702065	3300434	2756117	2521915	2854590	2214881	2702780	2641173	2834314	3258695	3581858	3066830	3002407	3067879	3007513	2165690	1828365	2315134	1676638	1713173	1393726	1423875	2702780	2605285
C24:1 ceramide (d18:1)	1203684	1342807	1330351	1407809	1273483	1395674	2490245	1281921	1284535	1245443	1467931	1609283	1650513	1094749	1411102	1619161	1156081	1100886	1628919	2046843	1737786	555600	824467	641180	1149138	1340409	1203684	1184578	1216959	1136917	1202759	1244497	1027140	665027	1182923	963327	782917	784398	1872469	1476329	1353374	1406991	1565765	1133654	2476526	1648647	1093257	1413607	1203684	1272016	1246252	1166127	1361895	1533150	1031489	1340353	823433	1100474	669010	947654	1356586	1208287	1493357	1612644	1203684	1308702
C34:1 DAG	220185	222413	113669	117211	96805	110313	402274	410408	341810	82010	430563	342785	38289	97654	404135	120874	53064	356578	49093	35443	31920	184573	441973	100099	122632	323325	220185	205436	158725	329277	35556	138095	272578	515692	63827	72175	345567	142415	379157	166931	345497	131707	111216	111103	172610	212648	126565	414383	220185	209895	450430	91943	266584	364189	26595	101474	613362	375027	319007	56264	82984	73497	98564	91352	220185	196100
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	formula	mz	neutral_mass	refmet_name	rt
phenylalanine-d8	C9H3D8NO2	174.1351	173.1292	phenylalanine-d8 [iSTD]	6.7
valine-d8	C5H3D8NO2	126.1363	125.1292	valine-d8 [iSTD]	7.42
1-methyladenosine	C11H15N5O4	282.1184	281.1124	1-Methyladenosine	7.65
1-methylguanine	C6H7N5O	166.0711	165.0651	1-Methylguanine	5.12
1-methylguanosine	C11H15N5O5	298.113	297.1073	1-Methylguanosine	5.03
1-methylhistamine	C6H11N3	126.1025	125.0953	1-Methylhistamine	9.58
1-methylnicotinamide	C7H9N2O	137.0703	137.0715	1-Methyl nicotinamide	8.2
2'-deoxyadenosine	C10H13N5O3	252.108	251.1018	Deoxyadenosine	5.2
2'-deoxycytidine	C9H13N3O4	228.0962	227.0906	Deoxycytidine	5.98
3-methylhistidine	C7H11N3O2	170.0912	169.0851	3-Methylhistidine	9.81
4-acetamidobutanoate	C6H11NO3	146.0805	145.0739	4-Acetamidobutanoic acid	3.41
4-guanidinobutanoate	C5H11N3O2	146.0916	145.0851	4-Guanidinobutanoic acid	7.24
5-hydroxytryptophol	C10H11NO2	178.0851	177.079	5-Hydroxytryptophol	1.84
5-methylcytidine	C10H15N3O5	258.1074	257.1012	5-Methylcytidine	6.01
5-methylcytosine	C5H7N3O	126.0659	125.0589	5-Methylcytosine	6.1
7-methylguanine	C6H7N5O	166.0711	165.0651	7-Methylguanine	5.75
acetylcholine	C7H16NO2	146.112	146.1181	Acetylcholine	7.72
acisoga	C9H16N2O2	185.127	184.121178	Acisoga	5.59
ADMA	C8H18N4O2	203.1486	202.143	Dimethylarginine	9.73
agmatine	C5H14N4	131.1288	130.1218	Agmatine	9.11
alanine	C3H7NO2	90.0549	89.0477	Alanine	7.81
allantoin	C4H6N4O3	159.0502	158.044	Allantoin	3.63
alpha-glycerophosphocholine	C8H20NO6P	258.109	257.1028	sn-Glycero-3-phosphocholine	10.44
anserine	C10H16N4O3	241.1279	240.1222	Anserine	10.48
arachidoyl ethanolamide	C22H45NO2	356.3503	355.345	Eicosanoyl-EA	1.98
arginine	C6H14N4O2	175.1176	174.1117	Arginine	9.12
asparagine	C4H8N2O3	133.0604	132.0535	Asparagine	7.91
aspartate	C4H7NO4	134.0444	133.0375	Aspartic acid	7.92
beta-alanine	C3H7NO2	90.0548	89.0477	beta-Alanine	8.01
beta-guanidinopropionate	C4H9N3O2	132.0764	131.0695	3-Guanidinopropanoic acid	7.47
betaine	C5H11NO2	118.0862	117.079	Betaine	8.97
biliverdin	C33H34N4O6	583.2522	582.2478	Biliverdin	1.95
biopterin	C9H11N5O3	238.0923	237.0862	Biopterin	5.19
butyrobetaine	C7H15NO2	146.1167	145.1103	3-Dehydroxycarnitine	8.79
N-acetylgalactosamine	C8H15NO6	222.0956	221.0899	N-Acetyl-D-galactosamine	5.52
carnitine	C7H15NO3	162.1113	161.1052	Carnitine	8.84
C2 carnitine	C9H17NO4	204.1213	203.1158	CAR(2:0)	8.69
C3 carnitine	C10H19NO4	218.1371	217.1314	CAR(3:0)	8.33
C3-DC carnitine	C10H17NO6	248.1119	247.1056	CAR(DC3:0)	9.51
C3-DC-CH3 carnitine	C11H19NO6	262.1275	261.1212	CAR(DC3:0(2Me))	8.6
C4 carnitine	C11H21NO4	232.1528	231.1471	CAR(4:0)	8
C4-OH carnitine	C11H21NO5	248.1479	247.142	CAR(4:0(OH))	8.88
C5 carnitine	C12H23NO4	246.1687	245.1627	CAR(5:0)	7.77
C5:1 carnitine	C12H21NO4	244.1531	243.1471	CAR(5:1)	7.86
C5-DC carnitine	C12H21NO6	276.1429	275.1369	CAR(DC5:0)	8.35
C6 carnitine	C13H25NO4	260.1845	259.1784	CAR(6:0)	7.51
C7 carnitine	C14H27NO4	274.2001	273.194	CAR(7:0)	7.39
C8 carnitine	C15H29NO4	288.2156	287.2097	CAR(8:0)	7.31
C10 carnitine	C17H33NO4	316.2465	315.241	CAR(10:0)	7.08
C12 carnitine	C19H37NO4	344.2777	343.2723	CAR(12:0)	6.89
C12:1 carnitine	C19H35NO4	342.262	341.2566	CAR(12:1)	6.93
C14 carnitine	C21H41NO4	372.3088	371.3036	CAR(14:0)	6.73
C14:1 carnitine	C21H39NO4	370.2933	369.2879	CAR(14:1)	6.73
C14:2 carnitine	C21H37NO4	368.2776	367.2723	CAR(14:2)	6.8
C16 carnitine	C23H45NO4	400.34	399.3349	CAR(16:0)	6.62
C16-OH carnitine	C23H45NO5	416.335	415.3298	CAR(16:0(OH))	7.06
C18 carnitine	C25H49NO4	428.3713	427.3662	CAR(18:0)	6.51
C18:1 carnitine	C25H47NO4	426.3558	425.3505	CAR(18:1)	6.53
C18:1-OH carnitine	C25H47NO5	442.3507	441.3454	CAR(18:1(OH))	6.97
C18:2 carnitine	C25H45NO4	424.34	423.3349	CAR(18:2)	6.59
C20 carnitine	C27H53NO4	456.4027	455.3975	CAR(20:0)	6.4
C20:4 carnitine	C31H54NO4	448.3399	447.3349	CAR(20:4)	6.48
C26 carnitine	C33H65NO4	540.497	539.4914	CAR(26:0)	6.2
cadaverine	C5H14N2	103.1229	102.1157	Cadaverine	9.28
C-glycosyltryptophan	C17H22N2O7	367.1479	366.1427	C-Glycosyltryptophan	7.1
choline	C5H14NO	104.1068	104.1075	Choline	8.25
citrulline	C6H13N3O3	176.1016	175.0957	Citrulline	8.35
cotinine N-oxide	C10H12N2O2	193.0954	192.0899	Cotinine N-oxide	6.67
creatine	C4H9N3O2	132.0764	131.0695	Creatine	8.32
creatinine	C4H7N3O	114.0662	113.0589	Creatinine	6.45
cyclohexylamine	C6H13N	100.1119	99.1048	Cyclohexylamine	6.38
cysteine	C3H7NO2S	122.0269	121.0198	Cysteine	7.22
cystine	C6H12N2O4S2	241.0297	240.023848	Cystine	9.06
cytidine	C9H13N3O5	244.0915	243.0855	Cytidine	5.86
dimethylglycine	C4H9NO2	104.0705	103.0633	Dimethylglycine	8.53
ectoine	C6H10N2O2	143.0808	142.0742	Ectoine	8.92
GABA	C4H9NO2	104.0704	103.0633	gamma-Aminobutyric acid	7.6
glutamate	C5H9NO4	148.0596	147.0532	Glutamic acid	7.65
glutamine	C5H10N2O3	147.0756	146.0691	Glutamine	8.03
glutathione reduced	C10H17N3O6S	308.0895	307.0838	Glutathione	7.9
glycine	C2H5NO2	76.0391	75.032	Glycine	7.93
glycocholate	C26H43NO6	466.3142	465.309	Glycocholic acid	5.36
glycodeoxycholate/glycochenodeoxycholate	C26H43NO5	450.3194	449.3141	Glycodeoxycholic acid/Glycochenodeoxycholic acid	4.3
guanidinoacetate	C3H7N3O2	118.061	117.0538	Guanidoacetic acid	7.88
guanosine	C10H13N5O5	284.0976	283.0917	Guanosine	5.28
hippurate	C9H9NO3	180.0641	179.0582	Hippuric acid	2.67
histamine	C5H9N3	112.0869	111.0796	Histamine	9.15
histidine	C6H9N3O2	156.0758	155.0695	Histidine	9.24
homoarginine	C7H16N4O2	189.1329	188.1273	Homoarginine	9.18
hydroxyproline	C5H9NO3	132.0651	131.0582	Hydroxyproline	7.89
hypotaurine	C2H7NO2S	110.027	109.0198	Hypotaurine	8
imidazole propionate	C6H8N2O2	141.0652	140.058578	Imidazolepropionic acid	7.44
imidazoleacetate	C5H6N2O2	127.05	126.0429	Imidazoleacetic acid	7.92
inosine	C10H12N4O5	269.0869	268.0808	Inosine	4.92
isoleucine	C6H13NO2	132.1015	131.0946	Isoleucine	7.08
kynurenate	C10H7NO3	190.0483	189.0426	Kynurenic acid	5.26
L-alpha-glutamyl-L-Lysine	C11H21N3O5	276.1544	275.148122	Glu-Lys	9.53
leucine	C6H13NO2	132.1015	131.0946	Leucine	6.95
linoleoyl ethanolamide	C20H37NO2	324.2881	323.2824	Linoleoyl-EA	1.99
lysine	C6H14N2O2	147.112	146.1055	Lysine	9.37
methionine	C5H11NO2S	150.0574	149.0511	Methionine	7.03
methionine sulfoxide	C5H11NO3S	166.052	165.046	Methionine sulfoxide	8.62
methylguanidine	C2H7N3	74.0711	73.064	Methylguanidine	6.76
methylimidazoleacetate	C6H8N2O2	141.0653	140.0586	Methylimidazoleacetic acid	8.9
methylthioadenosine	C11H15N5O3S	298.0954	297.0896	5'-Methylthioadenosine	4.26
N1-acetylspermidine	C9H21N3O	188.1742	187.1685	N1-Acetylspermidine	9.78
N1-methyl-2-pyridone-5-carboxamide	C7H8N2O2	153.0649	152.0586	N1-Methyl-2-pyridone-5-carboxamide	4.29
N2,N2-dimethylguanosine	C12H17N5O5	312.1285	311.12297	N2,N2-Dimethylguanosine	5.34
N4-acetylcytidine	C11H15N3O6	286.102	285.0961	N4-Acetylcytidine	4.27
N6,N6,N6-trimethyllysine	C9H20N2O2	189.1581	188.1525	N-6-Trimethyllysine	11.22
N6,N6-dimethyllysine	C8H18N2O2	175.1428	174.136828	N(6),N(6)-Dimethyl-lysine	10.25
N6-acetyllysine	C8H16N2O3	189.1217	188.1161	N6-Acetyllysine	8.38
N6-methyllysine	C7H16N2O2	161.1274	160.1212	N(6)-Methyllysine	10
N-acetylalanine	C5H9NO3	132.0652	131.0582	N-Acetylalanine	3.59
N-acetylaspartate	C6H9NO5	176.054	175.0481	N-Acetylaspartic acid	4.62
N-acetylhistamine	C7H11N3O	154.0966	153.0902	N-Acetylhistamine	7.7
N-acetylleucine	C8H15NO3	174.1112	173.1052	N-Acetylleucine	2.89
N-acetylmethionine	C7H13NO3S	192.0673	191.0616	N-Acetylmethionine	3.58
N-acetylornithine	C7H14N2O3	175.1064	174.1004	N-Acetylornithine	8.4
N-acetylphenylalanine	C11H13NO3	208.0951	207.0895	N-Acetylphenylalanine	3.26
N-acetylputrescine	C6H14N2O	131.1175	130.1106	N-Acetylputrescine	7.89
N-acetyltryptophan	C13H14N2O3	247.1064	246.1004	N-Acetyl-D-tryptophan	2.93
N-alpha-acetylarginine	C8H16N4O3	217.1279	216.1222	N-Acetylarginine	8.17
N-carbamoyl-beta-alanine	C4H8N2O3	133.0604	132.0535	Ureidopropionic acid	4.12
niacinamide	C6H6N2O	123.0553	122.048	Niacinamide	3.76
N-lauroylglycine	C14H27NO3	258.2053	257.199094	N-Lauroylglycine	2.4
N-methylproline	C6H11NO2	130.0859	129.078979	N-Methyl-proline	8.61
NMMA	C7H16N4O2	189.133	188.1273	Targinine	9.35
oleoyl glycine	C20H37NO3	340.2829	339.2773	N-Oleoyl glycine	2
ornithine	C5H12N2O2	133.0968	132.0899	Ornithine	9.26
pantothenate	C9H17NO5	220.1163	219.1107	Pantothenic acid	3.09
pantothenol	C9H19NO4	206.1371	205.1314	Pantothenol	3.9
phenylacetylglycine	C10H11NO3	194.0794	193.0739	Phenylacetylglycine	2.8
phenylalanine	C9H11NO2	166.085	165.079	Phenylalanine	6.69
phosphocholine	C5H14NO4P	184.0717	183.066	Choline phosphate	10.89
pipecolate	C6H11NO2	130.0859	129.079	Pipecolic acid	7.97
pro-gly	C7H12N2O3	173.0907	172.084793	Pro-Gly	8.49
proline	C5H9NO2	116.0706	115.0633	Proline	8.1
proline-betaine	C7H13NO2	144.1012	143.0946	Proline betaine	9.23
pseudouridine	C9H12N2O6	245.0752	244.0695	Pseudouridine	4.18
putrescine	C4H12N2	89.1072	88.1	Putrescine	9.34
pyridoxamine	C8H12N2O2	169.0959	168.0899	Pyridoxamine	9.07
S-adenosylhomocysteine	C14H20N6O5S	385.127	384.1216	S-Adenosylhomocysteine	8.13
S-adenosylmethionine	C15H23N6O5S	399.1425	399.1451	S-Adenosylmethionine	10.13
SDMA	C8H18N4O2	203.1486	202.143	Symmetric dimethyl-arginine	9.62
serine	C3H7NO3	106.0498	105.0426	Serine	7.67
serotonin	C10H12N2O	177.1008	176.095	Serotonin	6.23
S-methyl-L-cysteine-S-oxide	C4H9NO3S	152.0377	151.030316	S-Methylcysteine S-oxide	8.61
taurine	C2H7NO3S	126.0218	125.0147	Taurine	6.13
thiamine	C12H17N4OS	265.1107	265.1123	Thiamine	9.66
threonine	C4H9NO3	120.0656	119.0582	Threonine	7.61
trigonelline	C7H7NO2	138.0544	137.0477	Trigonelline	8.89
trimethylamine-N-oxide	C3H9NO	76.0755	75.0684	Trimethylamine N-oxide	8.1
trimethylbenzene	C9H12	121.1013	120.0939	Trimethylbenzene	1.75
tryptophan	C11H12N2O2	205.0954	204.0899	Tryptophan	6.48
tyrosine	C9H11NO3	182.0796	181.0739	Tyrosine	6.8
urate	C5H4N4O3	169.0344	168.0283	Uric acid	4.18
urocanate	C6H6N2O2	139.0496	138.0429	Urocanic acid	4.55
valine	C5H11NO2	118.0862	117.079	Valine	7.4
warfarin	C19H16O4	309.1106	308.1049	Warfarin	1.71
xanthine	C5H4N4O2	153.0398	152.0334	Xanthine	3.81
xanthosine	C10H12N4O6	285.0817	284.0757	Xanthosine	4.41
C14:0 LPC	C22H46NO7P	468.3065	467.3012	LPC(14:0)	7.82
C16:1 LPC	C24H48NO7P	494.3224	493.3168	LPC(16:1)	7.76
C16:0 LPC	C24H50NO7P	496.3379	495.3325	LPC(0:0/16:0)	7.69
C18:3 LPC	C26H48NO7P	518.3201	517.3168	LPC(18:3)	7.7
C18:2 LPC A	C26H50NO7P	520.3382	519.3325	LPC(0:0/18:2)_hp_a	7.68
C18:2 LPC B	C26H50NO7P	520.3382	519.3325	LPC(0:0/18:2)_hp_b	7.57
C18:1 LPC	C26H52NO7P	522.3541	521.3481	LPC(18:1)	7.63
C18:0 LPC	C26H54NO7P	524.3695	523.3638	LPC(18:0)	7.57
C20:4 LPC A	C28H50NO7P	544.3385	543.3325	LPC(20:4)_hp_a	7.47
C20:4 LPC B	C28H50NO7P	544.3383	543.3325	LPC(20:4)_hp_b	7.61
C20:1 LPC	C28H56NO7P	550.3855	549.3794	LPC(20:1)	7.51
C22:6 LPC	C30H50NO7P	568.3368	567.3325	LPC(22:6)	7.43
C22:5 LPC	C30H52NO7P	570.3528	569.3481	LPC(22:5)	7.43
C22:4 LPC	C30H54NO7P	572.3682	571.3638	LPC(22:4)	7.4
C24:0 LPC	C32H66NO7P	608.4624	607.4577	LPC(24:0)	7.25
C16:1 LPC plasmalogen	C24H50NO6P	480.3429	479.3376	LPC(P-16:0)/LPC(O-16:1)	7.52
C18:1 LPC plasmalogen A	C26H54NO6P	508.3744	507.3689	LPC(P-18:0)/LPC(O-18:1)_hp_a	7.73
C18:1 LPC plasmalogen B	C26H54NO6P	508.3746	507.3689	LPC(P-18:0)/LPC(O-18:1)_hp_b	7.41
C16:0 LPE	C21H44NO7P	454.2909	453.2855	LPE(16:0)	6.27
C18:3 LPE	C23H42NO7P	476.2732	475.2699	LPE(18:3)	6.27
C18:2 LPE	C23H44NO7P	478.2909	477.2855	LPE(18:2)	6.25
C18:1 LPE	C23H46NO7P	480.3067	479.3012	LPE(18:1)	6.22
C18:0 LPE A	C23H48NO7P	482.3223	481.3168	LPE(18:0)_hp_a	6.2
C18:0 LPE B	C23H48NO7P	482.3224	481.3168	LPE(18:0)_hp_b	7.77
C20:4 LPE	C25H44NO7P	502.2911	501.2855	LPE(20:4)	6.12
C20:0 LPE	C25H52NO7P	510.3538	509.3481	LPE(20:0)	7.64
C22:6 LPE	C27H44NO7P	526.2913	525.2855	LPE(22:6)	6.1
C30:0 PC	C38H76NO8P	706.5323	705.5309	PC(30:0)	6.63
C32:2 PC	C40H76NO8P	730.5326	729.5309	PC(32:2)	6.6
C34:4 PC	C42H76NO8P	754.531	753.5309	PC(34:4)	6.52
C34:3 PC	C42H78NO8P	756.5452	755.5465	PC(34:3)	6.56
C36:2 PC	C44H84NO8P	786.5927	785.5935	PC(36:2)	6.52
C34:3 PC plasmalogen	C42H80NO7P	742.5691	741.5672	PC(P-34:2)/PC(O-34:3)	6.51
C36:5 PC plasmalogen	C44H80NO7P	766.5668	765.5672	PC(P-36:4)/PC(O-36:5)	6.42
C36:3 PE plasmalogen	C41H78NO7P	728.5531	727.5516	PE(P-36:2)/PE(O-36:3)	5.41
C38:7 PC plasmalogen	C46H80NO7P	790.5673	789.5672	PC(P-38:6)/PC(O-38:7)	6.39
C38:6 PC plasmalogen	C46H82NO7P	792.5829	791.5829	PC(P-38:5)/PC(O-38:6)	6.39
C34:2 PE	C39H74NO8P	716.5167	715.5152	PE(34:2)	5.48
C34:0 PE	C39H78NO8P	720.5483	719.5465	PE(34:0)	6.62
C36:4 PE	C41H74NO8P	740.5171	739.5152	PE(36:4)	5.41
C36:2 PE	C41H78NO8P	744.5481	743.5465	PE(36:2)	5.45
C38:6 PE	C43H74NO8P	764.5148	763.5152	PE(38:6)	5.4
C38:4 PE	C43H78NO8P	768.5458	767.5465	PE(38:4)	5.38
C40:6 PE	C45H78NO8P	792.5462	791.5465	PE(40:6)	5.37
C34:3 PE plasmalogen	C39H74NO7P	700.5213	699.5203	PE(P-34:2)/PE(O-34:3)	5.44
C34:2 PE plasmalogen	C39H76NO7P	702.537	701.5359	PE(P-34:1)/PE(O-34:2)	5.43
C36:5 PE plasmalogen	C41H74NO7P	724.5219	723.5203	PE(P-36:4)/PE(O-36:5)	5.37
C38:7 PE plasmalogen	C43H74NO7P	748.5196	747.5203	PE(P-38:6)/PE(O-38:7)	5.35
C38:6 PE plasmalogen	C43H76NO7P	750.5351	749.5359	PE(P-38:5)/PE(O-38:6)	5.34
C38:5 PE plasmalogen	C43H78NO7P	752.5507	751.5516	PE(P-38:4)/PE(O-38:5)	5.33
C40:7 PE plasmalogen	C45H78NO7P	776.5512	775.5516	PE(P-40:6)/PE(O-40:7)	5.31
C36:2 PS plasmalogen	C42H80NO9P	774.5574	773.5571	PS(P-36:1)/PS(O-36:2)	6.64
C14:0 SM	C37H75N2O6P	675.5372	674.5363	SM(d18:1/14:0)	7.2
C16:1 SM	C39H77N2O6P	701.5532	700.5519	SM(d18:1/16:1)	7.14
C16:0 SM	C39H79N2O6P	703.5685	702.5676	SM(d18:1/16:0)	7.12
C18:1 SM	C41H81N2O6P	729.5849	728.5832	SM(d18:1/18:1)	7.06
C18:0 SM	C41H83N2O6P	731.6004	730.5989	SM(d18:1/18:0)	7.05
C20:0 SM	C43H87N2O6P	759.6288	758.6302	SM(d18:1/20:0)	6.97
sphingosine	C18H37NO2	300.2882	299.2824	Sphingosine	5.72
phytosphingosine	C18H39NO3	318.2985	317.293	Phytosphingosine	5.83
sphinganine	C18H39NO2	302.3037	301.2981	Sphinganine	5.74
C16:0 Ceramide (d18:1)	C34H67NO3	538.5181	537.5121	Cer(d18:1/16:0)	1.86
C24:1 ceramide (d18:1)	C42H83NO3	648.6244	649.6373	Cer(d18:0/24:1)	1.8
C34:1 DAG	C37H70O5	612.5513	594.5223	DG(34:1)	1.59
METABOLITES_END
#END