#METABOLOMICS WORKBENCH efahy_20230425_000083 DATATRACK_ID:3980 STUDY_ID:ST002665 ANALYSIS_ID:AN004337 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 Spleen
ST:STUDY_TITLE                   	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=0338m_MoTrPAC_PASS1B_HP-PREFA01.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB01	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0338n_MoTrPAC_PASS1B_HP-PREFB01.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed01	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0338o_MoTrPAC_PASS1B_HP-Sed01-SPL.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed02	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0338p_MoTrPAC_PASS1B_HP-Sed02-SPL.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE01	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0338q_MoTrPAC_PASS1B_HP-IPE01-SPL.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE02	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0338r_MoTrPAC_PASS1B_HP-IPE02-SPL.raw
SUBJECT_SAMPLE_FACTORS           	BC49E4EF-E2FE-4269-BAF0-461F768BD95D	90217016203	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0339_MoTrPAC_PASS1B_HP-90217016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	0BD282C7-7832-4581-9089-08A32D557034	90218016203	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0340_MoTrPAC_PASS1B_HP-90218016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	955498F4-70A0-4D50-A2BA-619A8FED8FEF	90222016203	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0341_MoTrPAC_PASS1B_HP-90222016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	CFE06932-9314-4BCC-B2D9-73883D5FCDFB	90223016203	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0342_MoTrPAC_PASS1B_HP-90223016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	3719CB62-B551-49BE-94A0-E51DFE13D30D	90225016203	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0343_MoTrPAC_PASS1B_HP-90225016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	F65955CE-E49F-48C7-B861-02A2FDF6F9B8	90227016203	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0344_MoTrPAC_PASS1B_HP-90227016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	0559B193-BED3-4170-B045-10A2B6441CB6	90229016203	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0345_MoTrPAC_PASS1B_HP-90229016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	90CFE5A4-76FE-4458-A2B1-A66F0B60118E	90232016203	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0346_MoTrPAC_PASS1B_HP-90232016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	F0D83B29-8EFA-4CDE-B1AA-2358AC220ECF	90237016203	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0347_MoTrPAC_PASS1B_HP-90237016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	FCE9ABE6-B60B-4934-BAE5-56AF8B11ECEC	90239016203	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0348_MoTrPAC_PASS1B_HP-90239016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	1628FB23-6F66-47D4-8D82-63C87726F0FD	90245016203	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0349_MoTrPAC_PASS1B_HP-90245016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	69FD4884-786D-4F2A-97B1-6174FBD25D60	90248016203	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0350_MoTrPAC_PASS1B_HP-90248016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	0D5071F5-D166-4CF1-BE8B-EB4DF6E04C0E	90251016203	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0351_MoTrPAC_PASS1B_HP-90251016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	07AF7369-F082-4CA7-99D5-D973F4A162C9	90252016203	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0352_MoTrPAC_PASS1B_HP-90252016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	2479BEE5-2A38-4D09-B15B-B1715F561A9F	90254016203	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0353_MoTrPAC_PASS1B_HP-90254016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	0A4A7935-3AF4-463F-84E3-DCF07671509D	90258016203	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0354_MoTrPAC_PASS1B_HP-90258016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	04C84D7E-FC8C-422F-AE4B-CAFADB63407B	90259016203	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0355_MoTrPAC_PASS1B_HP-90259016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	F9BEE1FA-E2DB-4BE4-A79C-99D585D6FD17	90265016203	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0356_MoTrPAC_PASS1B_HP-90265016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	A77AC89A-1D9E-4516-9DA4-2BE99C8126EF	90266016203	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0357_MoTrPAC_PASS1B_HP-90266016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	2B969165-1A52-43AA-8FD9-39AFA62F094F	90267016203	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0358_MoTrPAC_PASS1B_HP-90267016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA02	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0358a_MoTrPAC_PASS1B_HP-PREFA02.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB02	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0358b_MoTrPAC_PASS1B_HP-PREFB02.raw
SUBJECT_SAMPLE_FACTORS           	22D700B9-EDD0-4BC8-8155-EB9C39417F81	90280016203	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0359_MoTrPAC_PASS1B_HP-90280016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	1CA4210C-3CE6-4A5A-996B-673EBDEB3B81	90281016203	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0360_MoTrPAC_PASS1B_HP-90281016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	9F3E1040-D409-421E-B635-2572DC20ED89	90283016203	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0361_MoTrPAC_PASS1B_HP-90283016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	569A9229-04E8-414A-A195-FE9E8F1B66AB	90289016203	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0362_MoTrPAC_PASS1B_HP-90289016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	E4271AF1-899A-4A65-9D8D-BF18CEE3F1CF	90292016203	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0363_MoTrPAC_PASS1B_HP-90292016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	2E37478F-525F-4E5E-A882-EE75FD0CFB29	90406016203	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0364_MoTrPAC_PASS1B_HP-90406016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	A9CE3E3D-31A0-4443-8A7F-8FD831D79248	90410016203	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0365_MoTrPAC_PASS1B_HP-90410016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	3D5BC47C-BB3D-45A2-8DB8-D7ADCD51997C	90412016203	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0366_MoTrPAC_PASS1B_HP-90412016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	89D6F615-D17C-4EB9-88EB-A602940FF179	90416016203	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0367_MoTrPAC_PASS1B_HP-90416016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6	90420016203	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0368_MoTrPAC_PASS1B_HP-90420016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	6D680EA2-C62B-4A35-8B6E-2ED6A79CB017	90421016203	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0369_MoTrPAC_PASS1B_HP-90421016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	53F914B0-FD4F-4340-84A6-48341EAB3798	90422016203	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0370_MoTrPAC_PASS1B_HP-90422016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	D350D633-8D95-4783-99F2-BB8294D2EC32	90423016203	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0371_MoTrPAC_PASS1B_HP-90423016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	0DBFEB04-1B58-43CF-BAFD-9AA9915B67F6	90426016203	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0372_MoTrPAC_PASS1B_HP-90426016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	10E282EB-1DBA-406E-BD5D-81027083A01D	90430016203	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0373_MoTrPAC_PASS1B_HP-90430016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	4E974304-21EB-42E8-A729-A7FB6B406E64	90439016203	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0374_MoTrPAC_PASS1B_HP-90439016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	6527EC12-E7EB-4F17-BF0A-0AC7CD1819A0	90441016203	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0375_MoTrPAC_PASS1B_HP-90441016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	AEB1611A-F29E-43F8-B9F3-A2BC4F9EB504	90444016203	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0376_MoTrPAC_PASS1B_HP-90444016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	FDA87A8D-3634-4C42-9A1A-0EA03B58BB01	90449016203	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0377_MoTrPAC_PASS1B_HP-90449016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	CDCFA3F1-07ED-4737-A36D-15EFEC325AA5	90450016203	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0378_MoTrPAC_PASS1B_HP-90450016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA03	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0378a_MoTrPAC_PASS1B_HP-PREFA03.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB03	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0378b_MoTrPAC_PASS1B_HP-PREFB03.raw
SUBJECT_SAMPLE_FACTORS           	B73AB139-7210-4498-9CCF-E1DBE6EBA71C	90559016203	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0379_MoTrPAC_PASS1B_HP-90559016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	EA5C8932-9325-4DA5-96BB-50CD49CEDD10	90560016203	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0380_MoTrPAC_PASS1B_HP-90560016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	0645F621-878C-4C9B-84A6-58862BAA17D9	90564016203	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0381_MoTrPAC_PASS1B_HP-90564016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	68083256-8DAA-4185-B446-0CAF600474B5	90567016203	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0382_MoTrPAC_PASS1B_HP-90567016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	6A013AA1-4D1E-4B75-B691-6BA22D928E51	90571016203	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0383_MoTrPAC_PASS1B_HP-90571016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E	90576016203	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0384_MoTrPAC_PASS1B_HP-90576016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	DC8B35E8-4AA8-4829-8569-F223D069620C	90578016203	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0385_MoTrPAC_PASS1B_HP-90578016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	8904857C-2073-4BBA-AC7C-1EC239E5BFF7	90581016203	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0386_MoTrPAC_PASS1B_HP-90581016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	1F9BD644-303F-43E7-94BE-FF6654306F5E	90585016203	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0387_MoTrPAC_PASS1B_HP-90585016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	0409BED3-F9FE-4C06-9920-74F5E5CA04A3	90587016203	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0388_MoTrPAC_PASS1B_HP-90587016203-SPL.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed03	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0388a_MoTrPAC_PASS1B_HP-Sed03-SPL.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed04	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0388b_MoTrPAC_PASS1B_HP-Sed04-SPL.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE03	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0388c_MoTrPAC_PASS1B_HP-IPE03-SPL.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE04	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0388d_MoTrPAC_PASS1B_HP-IPE04-SPL.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA04	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0388e_MoTrPAC_PASS1B_HP-PREFA04.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB04	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0388f_MoTrPAC_PASS1B_HP-PREFB04.raw
#COLLECTION
CO:SAMPLE_TYPE                   	Spleen
#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               	ST002665_AN004337_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	90217016203	90218016203	90222016203	90223016203	90225016203	90227016203	90229016203	90232016203	90237016203	90239016203	90245016203	90248016203	90251016203	90252016203	90254016203	90258016203	90259016203	90265016203	90266016203	90267016203	QC_PREFA02	QC_PREFB02	90280016203	90281016203	90283016203	90289016203	90292016203	90406016203	90410016203	90412016203	90416016203	90420016203	90421016203	90422016203	90423016203	90426016203	90430016203	90439016203	90441016203	90444016203	90449016203	90450016203	QC_PREFA03	QC_PREFB03	90559016203	90560016203	90564016203	90567016203	90571016203	90576016203	90578016203	90581016203	90585016203	90587016203	QC_Sed03	QC_Sed04	QC_IPE03	QC_IPE04	QC_PREFA04	QC_PREFB04
phenylalanine-d8	758641	752775	791143	795873	817928	821158	920785	877156	898571	804003	880596	902505	858991	843409	766991	804647	688787	799704	793673	822340	703271	782626	723429	782519	804818	786207	758641	756424	823458	732544	819189	759226	714373	728316	743021	825135	789842	811385	945892	898477	717676	888919	900517	807117	798368	758903	928729	921952	758641	790552	1023628	910569	935284	859005	868188	813959	815696	677732	657643	740042	706421	725856	613288	608659	758641	752462
valine-d8	452985	454821	452509	454574	472253	471060	534154	504621	528436	491910	521262	532013	499538	501098	466354	466869	408073	481085	473971	489267	422477	459181	432211	481762	478291	455648	452985	448199	492001	436567	488420	461579	442166	450298	453107	487154	486796	489951	541582	501275	410339	489463	499979	470793	461120	445436	532159	525712	452985	450420	570606	509118	526133	494356	477998	469723	482310	418495	407164	451512	436404	442902	382410	378452	452985	446721
1-methyladenosine	51891	52513	60354	57337	69291	69931	69990	57489	61999	47752	50328	50489	54357	53491	51380	53057	55093	49344	47912	44658	54110	48511	45478	41123	41974	57599	51891	50609	49707	47082	50483	40745	46606	53110	55875	54100	50091	48812	56711	59784	55458	54754	53831	52797	53112	49046	45656	55499	51891	54080	63605	56094	53588	41330	54097	60339	50578	54216	44435	60053	51551	51891	56180	59219	51891	54904
1-methylguanosine	1053273	1063775	1707854	1648188	1892944	1923449	1857940	1138142	1222983	674620	746979	974266	1119378	1148606	1169227	1218568	1397923	874223	968551	979577	994898	1003744	1062248	943697	930436	1458430	1053273	1068364	1349175	1042977	1010392	724820	981642	963666	1388139	1404191	1200134	1163812	1444131	1437004	1096019	1411872	1255181	1248225	1314402	1152612	1072134	1251169	1053273	1020258	1683756	1092627	1155180	849421	1150244	1117793	934982	933970	776015	1177479	1280006	1273850	1257004	1205520	1053273	1092941
1-methylhistamine	4884	4844	4668	4540	5695	5801	5072	4478	4555	6203	5379	8359	3830	7516	4723	3644	4294	3806	4536	3890	4215	8224	3951	4373	4443	3930	4884	4930	6382	7075	11231	3808	8335	3897	4758	3803	3810	3497	4709	4117	4745	6137	3841	3881	4012	26304	4645	4307	4884	5186	4532	5041	4463	2862	3091	3174	5296	3139	3242	4534	2548	2589	3862	3632	4884	5331
1-methylnicotinamide	253709	251870	274867	271258	283988	273061	264013	311573	263196	232091	264974	300028	292366	288941	306436	316860	279763	192831	269075	233604	243739	283882	238456	195931	257908	310074	253709	254995	248181	317877	246080	212332	291757	262777	294127	253345	280160	284036	292221	254048	249140	337250	254216	281005	254332	276046	253864	292468	253709	253590	284248	138415	271194	209251	305897	287014	254022	210381	259624	290396	204570	217349	221790	228229	253709	261815
21-deoxycortisol	10948	8675	21891	19921	53990	46164	nan	6400	6184	4947	9141	6036	10496	5297	6415	20771	17975	12400	7899	2771	9225	nan	4639	3529	6043	18551	10948	13111	16563	18513	3475	4735	30317	24342	11465	22046	8152	8861	28653	27817	20461	16233	21049	5089	11175	8954	14079	25979	10948	9999	3303	952	13898	8937	18853	13636	5455	8425	17120	3513	21309	24188	44583	46318	10948	16045
2'-deoxyadenosine	27877	28255	43998	43779	47380	44352	25141	21530	47961	17778	21214	16401	41970	16580	28950	20788	26584	17891	24074	31479	30098	23329	36754	27732	27011	42245	27877	24961	22515	19811	23094	24082	16439	20687	11307	16480	12777	19455	19677	20005	43999	38946	37532	57692	28770	52717	26419	42868	27877	27675	53323	35834	37005	49008	59520	66162	49777	33596	24338	21897	25227	24275	21766	22038	27877	26255
2'-deoxycytidine	532915	528969	703630	669779	655294	652732	723134	594444	682559	486274	567330	579025	622017	549471	628352	591218	541422	444459	464747	480883	490350	498060	462164	389727	450571	540778	532915	529667	578625	569195	528414	488336	576104	487335	528007	506023	445691	462621	603130	638980	548851	671981	594896	664114	595104	620843	594000	654218	532915	532373	655454	556125	538992	402120	583421	523370	464162	550525	420965	511604	549229	544813	484314	483482	532915	542876
3-methylhistidine	130700	129345	218639	233294	273059	270552	239947	228028	181415	186502	188832	217228	203325	171897	189038	177572	101459	90735	100081	89432	95589	84305	79056	67082	83148	102791	130700	131286	224567	179119	180624	131818	170850	93768	104980	98187	89162	81736	194505	229430	135419	199956	176069	206963	188817	175675	168159	206883	130700	128122	137913	105620	144659	68470	109374	101714	88974	97378	78109	117285	160173	168897	168233	168823	130700	132673
4-guanidinobutanoate	39142	40592	76565	77437	64237	67654	49188	42714	55995	43233	58711	76927	40246	38686	47856	52182	42986	36797	35227	31760	39684	41935	50669	42476	37060	68530	39142	40372	33275	51117	22395	32034	51905	51777	33671	44925	37786	32940	44338	39928	45938	50704	38631	36332	41469	31295	39182	42023	39142	42188	34087	34999	36375	38084	42681	35770	44785	27181	36039	42168	47492	53286	59420	60838	39142	39473
5-hydroxytryptophol	38598	41675	77096	78627	64419	59890	78532	46403	55817	38869	44009	45076	63471	67238	62868	60063	27452	40685	43176	39454	36330	41508	29077	47116	41115	42712	38598	39326	42791	46972	40798	19242	38451	35600	27090	40147	38644	33541	40126	42150	57885	33380	31331	22127	47549	24732	28366	34008	38598	35840	23967	28105	31788	33410	37158	38357	26482	29317	36547	37228	60074	56326	65735	64382	38598	40258
5-methylcytidine	111871	113535	160914	145604	156040	151677	143154	128769	127184	110139	128555	134020	131589	122835	145660	140635	112971	102787	98375	97468	96853	104084	86587	90946	92771	120184	111871	112175	126346	113063	114635	98243	124009	105680	121804	116108	106269	103461	125264	138408	99047	143313	131466	134380	128238	119859	121841	139206	111871	110816	139226	115141	126219	77909	118107	103885	101490	112405	89009	115870	110852	106811	104160	104516	111871	107754
5-methylcytosine	125078	122000	84867	80965	85787	80189	107775	102915	131646	103036	113518	113680	84108	74608	89041	80408	166414	135584	173264	142589	183435	180915	175782	142087	150889	201721	125078	124641	127256	94189	74160	90694	96454	146970	165633	168095	159894	167284	97696	81395	90743	97511	92877	83909	87822	94573	93741	81124	125078	127374	197294	185497	161396	159900	173401	153850	149352	163053	133770	148615	70683	73492	66887	70470	125078	124555
7-methylguanine	40175	36175	54444	49107	60214	60989	46921	39972	43314	26017	36018	37888	45843	34818	51028	44457	52833	42458	42895	37105	38820	43245	35501	35504	36842	60436	40175	40734	44112	40642	42123	32264	43372	42031	48581	48513	42793	46239	51584	52922	40389	59602	47585	51965	46014	45197	43475	47044	40175	42176	60195	45892	51333	38566	49562	43392	45675	46207	33808	50138	42294	41525	42992	42488	40175	40528
acetylcholine	3444	3731	5640	5975	2901	3296	3617	2760	2967	2251	1844	2455	2772	3405	2693	4530	3850	2926	2501	1740	7029	2005	2770	2455	2047	3056	3444	3356	8926	3534	3441	3658	3744	2482	2972	3200	2284	2824	2210	2085	2875	3640	3008	2841	4066	5339	3797	2791	3444	3376	3518	2613	12726	2491	3415	4509	3039	3612	2518	3591	2238	2061	2711	2846	3444	3424
acisoga	3864	4036	11276	10853	13728	13553	5271	2866	2996	2066	2339	2482	5144	3672	4560	3756	4652	4355	3793	3788	5172	2694	2584	2530	3795	3551	3864	3785	3184	2855	3923	2618	3534	4265	5247	3976	3657	3730	3366	3579	3092	3315	2665	2891	3102	4205	3245	4108	3864	3274	6031	5087	5254	4415	5781	4222	4354	4970	3553	5246	7944	8227	8754	8175	3864	3812
adenosine	16588212	16567878	25051026	24699561	26165094	25477377	15589142	14251342	22872579	11110507	18045311	15146166	26695565	15954031	19689941	19851084	21033057	17347610	19812867	18501728	15258066	19566495	11991134	16334484	14201518	18585763	16588212	15895154	13590638	14202811	17032910	11722069	15450752	19011114	17075746	18818418	13064752	19246617	18969854	19080809	12751508	12275718	14830940	12504772	14125672	11535588	11331455	17882231	16588212	16441837	21075012	21588781	22812351	15561813	23245165	23471160	22119454	18440330	10158032	10936200	15406131	15596839	14871899	14714157	16588212	16474262
ADMA	33041556	30379203	60401802	62334829	66217947	67388081	72221720	41326123	44845290	29705404	33815445	41233607	37527137	34267906	34829455	34063309	36605596	28381922	29010090	33296437	28833621	34135120	30460604	27078018	25497183	40209282	33041556	32022999	39842560	34411259	25035736	24391234	27023451	26294615	34901955	38901918	31979303	30763587	42710054	45533832	33524879	44112115	33921060	35730418	37945025	39603352	31491261	39653959	33041556	33228971	54687699	44085177	33670374	26596564	38481898	43899643	28446875	30304282	23661666	35699568	44370867	43253648	37527915	36248506	33041556	32954432
agmatine	271845	314208	405370	422285	345996	267730	209578	204007	252968	224568	234324	283254	156402	132719	178990	181933	212702	220386	214507	238904	162206	189524	298669	311476	264760	294535	271845	238958	287480	248680	164895	308291	310104	222810	122711	161471	178680	189127	270967	253213	181664	245081	234416	302977	204770	123663	280360	342518	271845	258693	328192	329764	345546	434988	366388	405991	526925	264298	278214	320028	289742	315594	217627	205285	271845	240750
ala-ala	17588	17807	20560	18398	16157	16071	6704	9162	10997	12200	10861	11248	7745	8597	14578	14799	11619	17245	14711	20428	13579	15599	24304	30838	28226	21916	17588	17045	23584	21179	23005	32096	11576	8924	8292	9539	11569	9914	9671	7867	13813	15795	15007	17350	15107	13411	17675	17810	17588	17199	25255	32839	28526	46680	26592	32638	43938	17200	24778	21314	16389	16371	11544	11329	17588	17878
alanine	584920	586335	875747	854884	848551	841277	884174	764033	751387	606233	706160	934961	809132	642702	686379	626566	648477	507309	582611	557641	555441	596696	565197	494786	453038	683363	584920	592821	734560	663349	523719	483244	613200	531690	550246	728755	575268	556051	690623	731098	581141	669850	650181	628131	655711	645982	599050	713066	584920	592954	837703	611357	606884	470193	574719	634099	476716	486084	381349	481969	614101	625162	545843	552367	584920	588351
allantoin	57090	58409	102586	100277	155946	152158	70891	62200	68117	42892	56931	66476	69356	57103	69490	64162	70578	52358	57934	51088	61221	56912	49443	41950	51735	61753	57090	60156	61737	63989	57363	45412	68188	67633	68135	64102	58150	52663	56670	61004	55704	69664	57629	62118	57174	62848	63164	63880	57090	59155	63397	53441	75447	49319	71929	55781	54911	65883	51452	70745	72907	72245	106818	106490	57090	55333
alpha-glycerophosphocholine	39651640	39446079	63020602	62584543	71815752	73057567	53997332	50247299	43949627	37035055	37996906	52067496	45350407	43375102	49182799	57509649	42323617	38891948	34574848	34159713	33836834	31993364	29806948	30853889	29255279	39849183	39651640	39121069	45544634	47619032	40040276	36892278	44194695	40349472	45117957	43169503	39231151	37890132	46492417	47632666	44608302	52417799	49789858	50176036	44334663	45641447	44452814	47558556	39651640	39947688	45512226	24967525	45548605	23842204	35488000	37085713	35029110	39618385	31847085	42530856	46586800	46626874	51360240	51856858	39651640	40394184
anserine	53239	51286	195358	198154	203315	197801	76532	83314	78256	66779	69339	92119	85222	80703	74918	100322	45810	42190	32327	33084	40086	31746	37379	33128	33626	42812	53239	54207	73179	70187	52717	51352	68914	31750	46864	45791	41194	33213	74230	82155	53734	83577	64761	61352	60808	75564	75849	82559	53239	55595	61300	41155	42421	26735	38166	41751	46699	53531	37009	44110	128526	123385	105750	110148	53239	55791
arachidoyl ethanolamide	12487	12647	13722	12443	8848	8255	5849	9044	9576	10304	12269	12474	11112	16923	6925	15799	11116	16865	18303	15140	16732	16333	13169	13181	18719	14453	12487	14453	12100	19923	21647	16934	11621	12662	16217	12108	12757	9453	11335	10425	12175	17708	9124	5196	14974	8949	19853	12272	12487	12174	8919	7079	19376	83754	20976	18070	51168	13389	10318	33162	9810	9236	8177	7875	12487	11110
arginine	4422741	4445411	6630034	6602862	5351856	5477891	7770220	6561498	6470635	4552159	5502725	6040328	5475330	4003889	4699606	4832211	5434083	4165288	4663039	4923260	3920413	3573778	4788289	4085350	3981383	5784343	4422741	4361150	5417760	4749591	2931854	3787244	3671751	4363878	5097572	5962134	5116762	5153423	5469103	5587999	4307405	5031927	4682090	5213480	5130916	2750004	4566476	5504482	4422741	4300649	6409239	4809706	4863521	4115258	5252100	5767364	3313770	4046215	3607858	4594574	5542764	5521591	3912584	3885187	4422741	4415489
asparagine	332766	330678	516464	522253	500969	510476	588877	442252	424724	338976	400701	522217	430537	365409	370935	320824	398562	309292	340005	370890	293711	339429	287888	297681	299586	404366	332766	333523	382252	336744	275906	257977	319961	309221	335072	394978	311176	330839	358802	371082	291043	337211	333187	327625	369000	335187	296227	372930	332766	332742	486059	377808	386173	298505	329824	431339	295388	279555	238123	323196	368684	373930	326257	328809	332766	330938
aspartate	1223382	1225040	1762023	1750957	1419395	1425969	1737749	1418500	1378846	1002616	1173680	1133233	1484750	1424232	1589462	1509616	1239703	1318628	1169831	1034935	1132235	1116895	1000073	1069721	1049566	1371927	1223382	1220330	1457601	1269300	1397876	1141842	1338144	1315782	1401473	1286231	1247175	1307952	1567766	1775587	1229627	1507108	1518999	1314074	1389440	1475393	1312987	1617134	1223382	1222332	1615205	1298846	1245782	894079	1193524	1099244	1100948	1021306	921083	1268901	1447910	1481848	1012727	1018634	1223382	1222956
beta-alanine	38649801	38654763	48499971	50012373	52887766	52613135	59469347	48406052	43811244	35054585	44573966	51296881	54260065	39770434	48966176	44271196	40072098	35452352	35031075	31510356	31814990	32815420	31113728	28588191	27375203	38467780	38649801	37559214	44685192	42587395	38475665	30786834	44526158	34092338	40595252	43175274	36992945	38139559	50099465	53368019	43694929	49339653	47132631	44553158	44639016	44554518	39510100	51567036	38649801	39186210	49970276	42285366	41570874	26887049	41553534	40707662	35637661	33375583	26619563	38137203	34161904	34758806	33554615	33593093	38649801	37526125
beta-guanidinopropionate	92454	91399	126009	125822	107503	110075	167850	99000	131216	39484	121375	111105	125497	105908	102421	113395	104056	94755	105700	107280	92597	106533	53272	89257	91258	111156	92454	85697	98406	91069	80667	30608	57321	87170	118982	109029	73060	119398	102225	117115	78262	45106	67024	42299	109900	40880	42918	64905	92454	90148	129231	118567	121867	48709	107864	158101	83716	78042	64947	130951	96267	93901	113462	113452	92454	93987
betaine	41948225	41551872	46396082	46290903	49271782	48664315	50488235	41923546	51846646	37383567	45718739	43305681	46129973	38496006	44652789	42781942	42696421	40103609	40988414	38963987	45541592	46718652	45050164	35251492	34359368	49751450	41948225	41768736	39790534	38508655	35026185	34103159	42409364	43700183	42366419	45433187	40589994	42709879	41517578	44219841	46692512	43761480	46042217	50620653	44557469	54080310	42220330	50612875	41948225	42027969	44696698	49403838	43278981	40449910	46037551	40151456	39305157	43735348	36772067	36888204	38332859	38590683	39071857	39286960	41948225	42436881
bilirubin	1117778	1095382	1779475	1864945	675899	706808	1538168	1484296	831107	894441	687847	1227838	2000752	1121145	1608774	988193	1599159	860828	987682	1235202	1058533	1085773	782989	795339	874104	1053071	1117778	1119080	1310825	1026498	843321	1029602	1389956	1340938	1107842	1621848	1008115	1246384	1081034	1503962	971936	1024488	922387	1474557	1075180	1202127	646136	1332746	1117778	1158806	1950355	1827533	2007730	629870	1843307	2670795	1372378	1396643	720049	785439	948984	941764	314006	303345	1117778	1179016
biliverdin	1357419	1295357	3685162	3525451	4439633	4531450	2272157	1579041	1319423	1174197	1020629	1377594	1606479	1501108	1499733	1678869	1571683	1176728	1371886	1543207	1328299	868605	1100276	1024519	1166902	1654780	1357419	1285002	1590055	1495134	1494404	982188	1233646	1180772	1430806	1413603	1131656	1345763	1862922	2200221	1483814	1293469	1220678	904364	1915024	1063487	879023	1252862	1357419	1319727	1715074	1259350	1558708	986919	1271110	1299722	1372660	1165851	964023	1519025	2614560	2538131	3076524	3307406	1357419	1375915
biopterin	101566	103092	99424	98584	76439	73669	117909	91680	151219	97183	125291	88878	108160	88629	104459	84186	84842	93523	116588	103052	100972	143607	124617	84798	95030	116979	101566	100664	110551	75719	55280	73871	104086	112480	116504	113449	100578	96384	104760	113224	109809	136247	119594	150694	84504	148422	117299	147106	101566	103533	117771	111261	106070	97844	121253	108985	102744	100820	84640	103417	68320	68987	50996	52147	101566	99825
butyrobetaine	1339347	1335391	2018622	2008317	2190389	2164327	1587706	1350165	1648225	1130686	1430677	1582483	1468142	1297113	1562307	1468169	1390435	1241453	1365771	1284546	1379584	1534696	1290174	1117713	1152530	1754436	1339347	1372592	1541794	1370969	1074028	1006783	1392855	1493107	1476548	1537409	1308786	1366770	1387951	1434076	1376793	1452468	1325027	1645602	1212077	1390418	1333106	1462936	1339347	1370348	1831271	1415881	1960207	1050395	1663723	1511699	1353478	1303514	1101681	1408487	1471071	1477798	1415289	1392445	1339347	1300711
N-acetylgalactosamine	18505	19365	34996	33751	38668	38779	39248	16773	32890	14482	15609	17791	36651	17951	25539	20166	23948	13533	18499	21830	16772	17032	12414	19311	16459	21244	18505	19101	15371	14627	23253	13743	20569	19677	16351	18754	13009	22649	18800	17549	14919	18117	18931	16905	15673	15618	14264	21180	18505	17791	25476	20768	24043	16082	30766	28709	21363	16831	12716	15045	20862	21477	20334	20960	18505	19103
carnitine	58721107	59680660	74424123	73803236	72524955	72425882	72969772	68750164	63648665	57204360	64996858	59760128	70784253	64134825	74526108	75087293	59307368	56915489	48819728	41988063	53438733	56489780	51359203	43894248	43288097	57986278	58721107	58501166	69013687	65532190	60913923	57174327	70026392	57032456	60104334	61580388	59351423	54313705	67909070	72732287	60627490	71525355	70236475	73717622	69602954	70729686	67215692	73279951	58721107	59047051	60486017	62533240	56794949	42016438	60552640	47325339	53027577	56529459	45480236	56277064	59552593	60182758	51321039	51467628	58721107	59072694
C2 carnitine	49561344	49418856	76785312	76284816	98119753	98028937	79072085	56981033	63412847	43011278	53460399	56076684	64171939	50580235	58055884	55476191	57693439	47712054	53937910	47734236	44141943	48869556	45774137	47564203	44932293	58044000	49561344	49400059	52749984	52167758	51649592	37263344	49746977	42000493	53632256	57113114	46643364	51370167	54511034	58483943	50611029	50445441	53835328	55225401	57208598	52436347	48536836	56917443	49561344	50107168	57061381	51039754	53629838	40650612	46769432	44894367	44045003	45534313	37159718	51145543	60499684	60786620	74239291	73996845	49561344	50329805
C3 carnitine	2078702	2014700	2393499	2416229	3721059	3712722	2754345	2128172	2917613	1775483	2110461	2111651	2600352	1926917	2166578	2269576	2921334	2007317	2185108	1767415	2120803	2100531	1874832	1646691	1910660	2401493	2078702	2108128	2166828	1917039	2071206	1510324	1889409	1971794	2223597	2126563	1900362	1999679	2492373	2489482	2288272	2245005	2289479	2584129	1940840	2645165	2106293	2685991	2078702	2105996	2633179	1995982	2438514	1832236	2163015	2295256	1939816	2437112	1721801	2539294	1821647	1849025	2605969	2649943	2078702	2095598
C3-DC carnitine	289050	282354	460722	445360	504455	480327	437768	318480	324986	229859	272778	332997	342149	292816	363883	338990	329992	287607	277551	256721	220607	268937	244314	223867	233824	274765	289050	284799	328447	273482	278551	203028	296961	233101	331632	330050	272158	267957	395988	411644	300333	402394	391208	382141	402352	401074	345554	426594	289050	324519	381755	381989	337327	226135	313993	265831	305161	307589	234349	385247	399362	365247	349150	363016	289050	297851
C3-DC-CH3 carnitine	11409	11267	37262	36947	42531	42776	18407	15220	13453	11949	17834	9989	15228	11002	22223	22474	10734	11650	8246	6899	9777	13931	8191	6342	6324	9903	11409	11398	19165	15032	9600	7863	14340	10576	12378	16954	11634	7914	19467	29930	10602	19327	29882	19147	12676	18521	18114	22726	11409	11414	11144	13828	8523	5736	9247	6679	7932	11870	5433	9013	16566	16291	13984	14041	11409	11602
C4 carnitine	3504878	3479620	5722904	5622691	11357919	11314188	10512375	3016607	5863222	2440958	3296659	3885738	4079398	3236398	3384093	3431354	4459416	3095836	4446350	4225656	3070043	3254146	3175876	4197006	3859851	5516367	3504878	3462677	3120700	2828608	3039179	2306719	2869562	2915935	3989879	3720997	3154947	3940187	3998626	3851950	3411553	3390439	3664084	3532765	3626770	3776362	2796196	4000446	3504878	3541666	4873751	3186720	4323351	3279583	3258531	3950606	3194108	3084093	2681111	3856875	4150125	4208964	7343799	7432660	3504878	3480654
C4-OH carnitine	798980	825754	1157885	1124861	2213842	2243700	1881797	814301	1137303	585473	674599	585888	1219577	883488	665252	556191	1000475	798136	1264940	1621052	845650	521503	459597	534984	1054203	730718	798980	780768	570951	434002	931203	545722	663475	516556	799128	491462	566937	571739	938468	1023614	695616	770097	729217	1065572	634542	1002575	615665	837060	798980	805937	1116988	822378	1394755	900137	820338	901511	748532	1039627	738440	970936	934598	924617	1668222	1639618	798980	826734
C5 carnitine	1323179	1324559	2780177	2772451	6773699	6778026	1645853	1253479	1891862	1220865	1657076	1841044	1222419	1213772	1515446	1838353	1645392	1110087	1300947	1068066	1304558	1488610	1324964	1396667	1223665	2067443	1323179	1330439	1315010	1589686	1015133	1030162	1273923	1616142	1678019	1473841	1568442	1262249	1266594	1418028	1381971	1606130	1515399	1203409	1490185	1363376	1190890	1555384	1323179	1317266	1457812	946349	1548559	1064533	1369703	1420781	1376762	1280411	1260357	1630054	2127984	2159337	4333487	4401898	1323179	1367597
C5:1 carnitine	6479	6547	13974	13926	23569	23702	9528	5678	9577	5840	7879	9252	6928	6359	8560	8186	8999	6719	7463	6718	6828	8696	7471	7686	7512	9665	6479	7181	7431	7435	5112	4760	6569	7734	8379	7974	6821	7000	6548	6533	6157	6748	7179	5761	6664	5945	6396	6991	6479	6230	6659	4863	6964	5177	6374	6508	6639	5662	5633	7846	9991	10278	15168	15760	6479	6335
C6 carnitine	105058	102927	114834	118690	176669	171044	186320	95289	179303	112789	151914	144316	97652	127470	99996	108200	86639	109603	177619	162911	104268	192171	96122	159085	145993	115332	105058	104372	91455	83953	101789	57304	95523	76972	96273	99580	96114	118713	96334	90695	99533	97445	100527	92161	136823	101678	86989	121694	105058	108360	85982	95677	115985	120879	101659	119917	83437	88686	90345	95419	83841	86460	205980	212604	105058	106754
C7 carnitine	18813	19834	36922	34364	55321	52335	43981	18867	26828	15311	20703	24046	22956	16577	17302	21193	22626	12493	17471	14688	18929	22836	19155	21458	16112	27266	18813	17726	23625	22280	17501	13354	19082	17261	20527	23360	17552	20468	26428	24042	19759	20973	21443	13435	19557	16128	17298	21406	18813	19899	20631	16791	18737	15805	21374	19849	15925	17692	15500	17169	23983	26288	35486	35333	18813	19748
C8 carnitine	111142	107150	125307	125502	231119	235290	183867	113240	180528	74267	107055	134612	133351	113347	99333	94532	116449	105296	168236	138734	106936	131346	109563	122626	133778	149929	111142	113724	101067	84481	105308	65345	84551	87566	136490	132790	98603	161732	130503	117167	96034	94392	110336	101768	148286	106204	82114	121999	111142	112174	146626	143295	164041	120400	130378	122872	104691	109729	92042	128068	92704	92250	162133	160344	111142	111755
C10 carnitine	84442	84668	104632	101493	185459	195495	118215	89139	128450	56968	88728	104765	98988	86628	67953	70102	93993	80994	144555	100484	77340	102008	83735	94402	107996	113412	84442	81884	67919	60933	80726	45212	57898	63157	108338	103775	70541	129535	91624	81480	62039	57626	74030	70989	110892	77030	52560	79440	84442	85638	116763	115404	127778	86442	103550	88860	79449	77730	74683	100338	73998	75625	120014	121354	84442	83400
C12 carnitine	187837	188163	231832	229498	404725	405447	297744	193964	278129	129189	167748	244462	212799	192429	159458	173072	224672	183253	297153	241845	176799	218198	168250	207713	228010	259243	187837	177767	158875	135430	184139	106565	133415	140984	228896	215740	159510	277088	210846	185032	140335	141862	165336	157738	236601	165756	122619	172932	187837	192397	274091	235655	269553	177989	200738	191655	168703	174423	161184	215878	159959	153479	244859	241977	187837	185365
C12:1 carnitine	33936	33060	47078	47234	94562	89555	50735	36190	52783	20816	34463	45703	44178	35098	30220	33009	44244	33597	49014	37494	34303	39166	33751	35153	38739	43643	33936	34685	32088	31432	39079	19271	26272	30435	44454	44885	31906	47870	41902	36489	27527	24623	28774	21750	53119	28478	22208	32693	33936	35030	44751	39085	57266	34820	39197	34060	31630	36701	32363	37751	32490	32161	57284	56082	33936	32779
C14 carnitine	841466	835612	1077230	1115124	1765291	1777561	1633262	845659	1261765	539322	713654	1179206	965999	898472	656926	740877	1021929	864924	1617003	1288963	777764	998629	795387	1115063	1209441	1350376	841466	872883	758746	626382	834416	443139	527547	631218	1103492	990944	719445	1438916	944408	784030	614834	568932	713295	564677	1049328	686508	525207	758729	841466	883636	1408231	1082372	1269756	846937	900600	999532	779241	713639	654693	956445	739272	745363	999726	1018817	841466	832564
C14:1 carnitine	275791	277826	392568	401364	691002	706703	479253	296957	388669	188048	255554	350485	315934	280273	256793	274708	338328	288814	445474	367465	245561	319363	270112	322399	352046	391943	275791	290325	255101	225723	284026	166211	202610	224859	353697	340829	254678	419009	308917	276137	200937	215876	253199	219285	377378	242904	196940	264773	275791	292926	442366	340592	500142	296325	352559	323614	268450	283165	236080	329229	256272	259566	383342	395517	275791	267831
C14:2 carnitine	86748	83012	165023	166903	236057	243865	163832	97670	127992	57708	85307	121488	111509	94328	95343	95002	112272	85847	116240	100772	73772	95571	90175	96822	94116	131105	86748	91854	100324	94757	97165	52753	70428	71363	106768	113393	76271	124155	112444	99177	67229	76153	79677	64594	128078	70362	62526	88223	86748	87622	137859	89841	145522	87286	100558	94174	80084	73723	64421	99013	108100	105571	133941	136936	86748	83350
C16 carnitine	4296268	4288452	5554133	5584549	7934764	8017736	9744113	3836508	5936888	2796380	3500435	5852772	4930938	4840993	3017911	3074444	5292502	3710294	7778979	6736072	3686908	4315297	3905718	5817542	6478374	6321335	4296268	4172544	4274453	3108198	4255065	2566191	2751479	3002650	5362195	4586667	3120217	6670459	4565405	3464981	3137692	2658187	3229530	2977381	5094476	3535037	2451372	3587884	4296268	4183906	6673627	4980542	5000261	4174626	3816359	5001766	3601623	3269028	3552187	4856691	4399311	4470007	5324021	5194366	4296268	4405751
C16-OH carnitine	74310	69707	91283	93928	204105	206362	198539	84630	124751	52902	68520	103733	100588	77281	57239	62645	117567	73015	149865	119962	69015	71950	59070	87593	104393	117285	74310	79456	65351	57266	72240	31262	43875	49902	88754	85915	54720	92845	82399	81122	52244	45728	64353	47550	94614	59747	44927	62993	74310	72621	114617	82133	97422	63648	68170	83485	58282	62477	54975	78868	69770	68756	116225	120264	74310	74204
C18 carnitine	1570330	1536966	1675165	1727282	2066605	2034517	3807501	1657794	2133766	1251162	1296079	1760698	1783096	1630437	1084402	1257937	2151272	1347622	2269615	2441515	1588781	1580802	1433990	1974303	2002700	2069562	1570330	1587374	1286278	1020642	1719122	1111190	1118806	1176386	1783352	1722089	1329359	2250761	1553882	1503684	1357565	1170218	1228630	1423244	1614150	1311452	1201256	1425343	1570330	1586375	2350707	2051048	1688163	1613759	1342703	1910611	1417546	1320220	1355586	1617758	1465268	1485464	1621887	1627179	1570330	1565712
C18:1 carnitine	2951624	3010693	3902151	3966759	5525422	5481871	7205269	2696651	4094598	1924789	2369609	4011482	3374906	3204055	1980397	1905727	3806131	2457841	5093717	5563816	2513470	3044746	2900307	4463453	4622722	4378234	2951624	2900841	2357479	1851200	2652913	1608565	1578560	2064410	3472872	2977538	2026846	4477194	2792876	2295474	2223798	1532643	2089609	1954442	3511219	2144678	1651119	2331450	2951624	2972574	4510296	3507565	3672446	3339384	2727857	4012874	2698545	2331820	2592223	3290609	3428236	3370080	3992292	3956889	2951624	2921249
C18:1-OH carnitine	89254	83668	134680	140646	286178	288767	256465	100950	147618	61832	81078	123935	113609	84110	70474	71829	149235	93231	165356	158227	85064	88413	77145	117733	129853	154832	89254	90528	76374	68459	84954	35340	49874	64710	113137	109148	68819	118442	88666	84121	59896	50525	71744	48623	114532	62336	48956	70332	89254	87793	137406	89844	124335	84746	83538	103721	74065	83009	68343	99891	97886	99802	156481	157949	89254	87767
C18:2 carnitine	1754827	1708364	3519875	3481365	4237647	4184919	4588582	1569868	2888119	1039329	1443965	3219348	2184230	2062034	1132211	907325	2392436	1277396	2929963	2889745	1426621	1718135	1821678	2850835	2629765	2892838	1754827	1730218	1638438	1420501	1671481	808287	813540	1153393	1980458	1929067	1074205	2648796	1750469	1305863	1325527	688785	1076857	797159	2380056	1036775	785762	1187574	1754827	1724894	2739696	1914958	1980516	2054064	1499158	2235901	1420551	1059926	1418219	1861673	2906473	2955931	2890056	2878434	1754827	1790244
C20 carnitine	67381	62494	94382	95314	106982	112793	213835	72060	100625	48664	55115	82570	86458	66859	51529	55186	85841	45169	90355	101462	55476	52375	46341	74339	65186	75619	67381	63014	60084	48504	76762	38702	51243	44957	60304	61612	45638	74627	84615	76225	58331	53434	56087	59549	73949	47521	51522	69265	67381	71343	114340	88958	76382	63441	61695	79277	57231	51245	47413	64925	80130	80173	83477	78610	67381	60086
C20:4 carnitine	569853	568073	1320744	1335738	1525360	1499844	2685696	427296	972363	286158	302942	618018	800119	626949	279604	293278	1070786	417092	820992	1129351	454172	416597	470839	977226	912654	860921	569853	589666	336280	271676	603756	221738	231135	328084	578366	589828	325007	703885	584827	433141	405163	259066	310071	280036	703528	350841	229159	369639	569853	559240	988149	645470	651331	788602	441117	865363	469587	413967	477682	605299	1155335	1153919	1176975	1163896	569853	564667
C26 carnitine	17047	21916	8578	6469	11684	12040	21650	32618	27264	22468	26988	24946	31833	22371	17689	22985	13922	15671	11804	9704	17471	17526	19704	15156	14443	22118	17047	19752	34270	23169	19656	14820	23375	15045	14660	19166	20930	19149	18324	22116	12782	17690	21957	14571	27013	12900	21250	16027	17047	14295	16823	16854	15077	6974	16630	11130	9560	27316	16860	20741	5721	8415	9465	11891	17047	23315
cadaverine	950	1106	468	387	448	506	601	1570	1259	1263	1441	1155	1039	904	921	737	895	592	552	579	915	638	618	605	538	809	950	991	1166	1251	1094	1027	739	618	621	556	637	668	870	926	1323	1111	1030	1198	932	493	1260	882	950	749	846	513	816	753	763	1255	680	990	1130	838	198	322	149	169	950	904
C-glycosyltryptophan	77148	76384	127964	121645	138172	138528	105642	92293	90651	69930	85027	100191	89127	85336	100076	112993	97822	82455	82910	80194	77326	81105	70051	75452	74626	89001	77148	83911	99500	90888	72273	62657	82516	71684	90288	86645	79693	74709	83275	91271	63461	97115	80510	73980	79306	74003	76786	87564	77148	79303	96554	74172	90121	52224	80333	68006	69763	77002	58234	90668	82833	86026	81711	81804	77148	83048
choline	9957904	10067541	18597901	18719192	20559762	20757027	16954728	10159409	17829989	8814909	15052124	11519150	12391231	9361210	9507531	11171494	11153528	9917446	11300191	10806381	10400298	12837212	7587471	9849509	8738953	10672734	9957904	9949392	9977790	9484495	7960984	6542754	9302421	9346371	11536873	12212120	8796477	10248434	9361503	11458745	7412794	8649726	9668820	8528313	8898390	8978793	8322019	9925033	9957904	9873864	10677820	20465525	10088935	8116039	8836984	9700574	7956406	9645766	6915474	9486943	14053829	14191924	10440895	10715228	9957904	10117034
citrulline	320228	321653	365269	366880	403002	391724	367634	308372	311004	245377	289144	342744	342742	286645	332388	329529	427168	310796	314366	302627	336977	326706	307530	324698	313689	388045	320228	334409	283447	311746	253218	220620	298480	348587	384994	388973	385217	351800	290592	336353	266539	348111	299299	296157	303471	320339	303970	336276	320228	325036	427410	356207	458725	312291	437187	343498	383942	364945	303745	419340	272553	268535	272554	273869	320228	317627
cotinine N-oxide	5946	5247	6512	6712	6288	5476	3732	5385	4442	5632	5406	7373	3792	4919	5543	5915	7217	7384	7252	7548	6571	6876	7519	6315	8264	6751	5946	6325	7006	7792	6227	5001	5633	6732	7927	6162	7754	6896	7057	5922	4642	7998	7096	5824	7443	5440	7370	6201	5946	7281	6011	6418	7192	5942	6554	6113	6714	6270	7561	8703	6394	6687	5727	6195	5946	6028
creatine	10784941	10707871	17093950	17052473	18496640	18349290	12590060	11507699	12033979	8462804	11730949	11307567	11410342	11227487	11782778	12403619	12393774	10989508	10610846	10262203	10273592	10871654	10259066	10548496	9787721	12051511	10784941	10792651	12530465	12003521	10593227	8379053	9839156	11137592	13159589	12175177	11429017	11913035	12416725	11605664	10372187	11264498	10922719	9940426	12147771	10415423	9878980	10547723	10784941	11052063	13137167	10628326	12087984	8611126	11367881	11605709	10811907	11320721	10260390	12787950	13531558	13847006	13492819	13786863	10784941	10786771
creatinine	613404	631732	733963	753185	881151	850702	578994	650994	662210	562994	608796	599554	650772	569941	629342	606466	609330	553546	611038	483161	592183	597173	540904	478795	525742	672548	613404	597548	698354	758029	633515	551600	622064	624176	620500	637767	601710	575833	617546	644937	546088	616486	543031	594055	569529	597504	662254	673468	613404	614316	695615	623138	649791	600697	659398	578689	580389	629332	602807	681257	695889	697207	779483	796500	613404	632748
cyclohexylamine	352308	351210	106039	107598	168180	163307	710049	600015	332960	514051	513542	480689	293963	407549	469232	248312	256815	658790	292566	223495	258611	913187	193002	557510	301432	135783	352308	353034	157363	150469	250072	409555	241460	287201	354904	467968	234946	186000	255933	279651	299068	251372	855003	1200172	235520	1093106	265233	710178	352308	352633	247792	619968	66330	24782	58401	49954	44164	73271	56555	25838	132670	135191	130276	129833	352308	357787
cystine	76342	75126	251619	253952	279559	282977	154930	133842	118672	97596	163780	211153	57551	93929	77312	94331	111156	86186	105461	79840	71691	99246	85440	68887	81890	124708	76342	77268	118011	98925	32138	34192	59638	57820	102379	130653	103916	64036	88086	103077	66819	76531	54235	50181	86299	68537	60736	72653	76342	79685	100758	80707	79969	66832	50459	71175	51301	62571	49852	109976	146345	145691	196047	192626	76342	75818
cytidine	1520998	1503756	2256141	2136871	2309319	2358323	2875736	1454832	2378978	1007494	1440817	1732053	1876146	1429458	1255474	1256328	2132876	1320802	2084148	2287178	1546036	1675162	1390952	1756900	1824458	2277473	1520998	1545235	1280385	1186941	1307140	822632	1056886	1254525	1849021	1810872	1264699	1817589	1504535	1578089	1238466	1163982	1148688	1133036	1505930	1163045	966119	1322360	1520998	1561226	2465884	1937246	1930125	1432131	1681156	2119818	1465734	1404516	1225065	1694736	1826473	1821024	1524065	1546087	1520998	1508841
dimethylglycine	65399	64326	84780	84063	95465	97071	85372	67204	74650	54062	63715	67071	74526	68947	71807	78099	76229	60492	62606	58029	65994	53515	52559	52918	59957	69453	65399	65391	66883	73069	62817	55215	72859	64435	74428	60861	54822	58823	72352	82705	63751	79732	69405	87526	69789	75072	72945	82236	65399	66680	77033	59159	80070	60186	75360	68615	64786	81456	67109	75316	65463	64536	67009	69374	65399	65557
ectoine	18715	19483	57753	55260	60922	62944	19612	14736	10268	18295	15940	21009	15089	13765	17716	15810	14455	15582	13201	7663	10265	16042	17954	17707	16029	15812	18715	16826	6589	12673	12326	18727	22630	11625	10496	15644	11301	14488	19843	20577	18691	21652	18640	15966	22224	14994	19974	17610	18715	19488	45711	48554	33668	38041	45839	29345	43254	21848	27363	36503	46686	46234	42787	43382	18715	17481
GABA	5499092	5497719	4607532	4350479	4828562	4599195	4996998	4305092	4184514	3530074	3603729	3569896	4760087	4125877	3820071	4186323	10022322	6805999	7912023	8548737	7868135	4435853	3403557	3194070	6604509	4858564	5499092	5494785	4649334	3625562	4701668	3672083	4118458	5520300	6656761	4190231	4745748	4812941	4357796	4253572	4009507	4437913	4205687	4926787	3391963	5181955	3782114	4483121	5499092	5237984	10244305	6083229	10128619	6752332	7417177	10526404	6522851	9423469	6323917	9534622	3768280	3811286	3856750	3477246	5499092	5540596
glutamate	2597636	2609342	3864661	3851577	3769423	3758059	3566845	2869073	2839842	2297482	2550655	2704259	3054202	2840393	3091257	3018708	2719231	2716982	2650382	2685313	2460448	2344140	2230389	2319682	2459229	2786782	2597636	2602732	2835094	2687410	2792571	2337588	2621544	2559819	2905092	2755712	2496845	2630570	3025250	3156323	2483965	2705808	2817602	2527908	2883219	2751724	2617189	2933640	2597636	2620471	3024087	2684701	2842733	1991690	2527245	2447560	2473848	2381797	2151556	2793056	3229071	3209701	2812172	2819348	2597636	2618084
glutamine	4442006	4479341	6671162	6462765	6965988	7015218	7760813	5524476	5003198	4317994	4777127	5646076	5987242	5305126	5257648	5173916	5133599	4438128	4284015	4489183	3768379	3971796	3553907	3705220	3915729	4896604	4442006	4434060	4986495	4310277	4399024	3789773	4703519	4401477	4735015	4642491	4160370	4461307	5343680	5616186	4366432	5058471	4924631	4866742	5167312	4706842	4260512	5403882	4442006	4454253	5875730	5016961	4693729	3312345	4551937	4739383	4130308	3861639	3051256	4138338	4756022	4824238	4648726	4638270	4442006	4433365
glutathione reduced	54049	51120	177459	161433	51742	44365	239633	56581	392153	114903	306703	241163	190323	268847	285526	65442	15296	9456	69688	89663	43370	401459	11692	201084	124778	25419	54049	44794	5931	17277	116803	5760	146977	74720	4372	35564	9730	44040	18100	10891	139410	15995	34034	5229	34610	4811	31868	58519	54049	42150	8593	7703	125462	1025102	331016	289570	353046	31507	75186	16177	21864	20466	26721	26897	54049	50192
glycine	172787	173655	235563	242334	265223	269147	240564	225440	215438	182198	216770	241694	213176	180819	190680	169578	195603	147180	160284	158267	165129	169982	153175	135684	135955	196410	172787	170694	198861	170375	142569	140059	187208	164279	175073	204759	172685	167445	196087	212943	171846	198140	187880	204011	196685	201329	171525	210185	172787	176140	229654	193577	197601	136492	186905	201789	154099	154737	122246	158207	159036	164920	162083	163959	172787	170032
guanidinoacetate	14780	14968	24625	24039	26743	27187	20228	19996	22653	17638	21094	23491	18693	14645	18102	15684	17789	13892	13618	11889	16774	14323	14757	13236	13082	19634	14780	14463	15625	17460	13923	11152	16008	14018	15678	17478	13505	12350	16893	19782	13775	16990	15155	16274	15763	13469	14267	18040	14780	15197	17390	13672	15593	11979	15741	14347	13283	13667	11920	15078	17548	16938	18049	17969	14780	14881
guanosine	454411	449193	1238953	1171004	1919541	1874082	642990	327660	985032	281914	784974	345810	745307	311780	384591	370481	628937	422182	527811	556061	453754	524542	393783	528858	470376	634381	454411	447079	288790	338215	354325	250341	330740	403517	526114	616272	342619	675982	350921	421311	290152	293749	344074	286795	406597	277195	242196	378530	454411	460683	697821	1540664	696365	482604	663155	801579	579261	470547	297024	353156	737697	724582	641602	641346	454411	446016
hippurate	2543	2424	6284	6138	7399	8195	2488	2118	2151	1980	2463	2341	4294	2137	2958	1610	3031	2879	2327	1914	3137	3911	3234	3264	4499	6393	2543	2582	2506	2823	1772	2227	2702	2195	3219	2669	2327	2786	2060	1177	646	1602	1860	2143	2554	2573	3908	2082	2543	2386	1615	2428	1121	2891	1993	1828	2831	2182	2153	4018	3835	4154	5223	5733	2543	2923
histamine	1694244	1704091	1181855	1160975	1960882	1989003	1355665	842420	600484	2731785	1343645	3185603	974643	3591984	1419520	1018433	827104	1368197	1771230	1567578	1456917	5074210	715567	1566773	2122694	544442	1694244	1688709	1776837	2194927	4366943	1099232	3139434	979775	1354384	508097	707975	569192	803773	709471	1081981	1566145	819199	520543	979746	9672397	1611669	900274	1694244	1687552	1006280	2081378	1350456	571458	126167	515756	3008302	981232	985558	1439694	356180	358949	1405518	1392652	1694244	1686022
histidine	2428111	2439134	5981346	6124278	5206213	5419728	5858214	4602077	2921072	3103884	3912287	6216008	3009666	2920271	2461874	2905798	3295969	2875281	2756701	3037025	1952923	2114196	2637666	1942593	2315600	3345327	2428111	2434656	5146276	3116796	1482403	1698709	2022897	2300386	3704246	3363440	3211960	2543261	3112133	3257179	2132856	3008850	2306172	2444845	3610932	2834963	2398143	2995038	2428111	2403271	3989855	2862419	2621482	2380269	2211879	3400965	1770218	1778035	1599035	3848244	5039469	5026051	4000063	3966778	2428111	2433157
homoarginine	12020	12784	17187	16989	16741	17021	16627	21364	16256	11619	17474	16890	11703	6112	11583	10604	26490	14187	10492	6856	14222	6686	13703	8653	11651	18936	12020	12087	15002	14405	5173	7969	8307	13548	17796	14427	14821	11109	13314	16829	13298	14571	12347	16855	15633	2210	12552	14573	12020	11677	21164	12962	16560	22993	28869	24838	10901	18859	19176	23540	15293	14864	12301	12349	12020	12446
homocitrulline	1685	3546	10049	8125	11501	9976	2312	5317	1776	4562	1698	5644	4569	1264	4582	3457	2339	3756	3811	2369	2868	1010	778	1329	4515	1265	1685	2424	5970	5984	2981	3180	4225	3057	1708	656	677	1349	1439	874	1815	1309	1399	1200	543	1903	3151	2290	1685	1187	2490	703	3055	2341	2163	1632	1346	2119	2802	3339	6957	5631	6706	7384	1685	2691
hydroxyproline	80017	79960	122004	121475	122950	122720	141849	101848	122810	84228	114191	117238	133950	103446	134312	98582	77849	66130	54360	56572	68021	61100	59276	54585	53360	68447	80017	80470	137360	125588	90911	70240	95159	68157	70033	68809	55377	56751	118072	138849	99229	104402	103994	102507	98668	94704	86375	125643	80017	83280	91993	69667	82083	58884	74869	71331	62006	57142	56190	67557	84015	84835	76609	76322	80017	81815
hypotaurine	274190	281451	361801	356458	398439	395274	357183	283189	230895	195057	273082	277736	362676	283584	385256	330320	355347	292459	287068	273894	242178	275821	266470	249376	234095	321896	274190	272179	250153	267013	250232	207805	274934	253466	323692	353617	286415	302722	306273	323116	263670	323552	308267	297644	256238	278385	220936	289715	274190	271515	346537	271048	358413	191364	309119	351931	324999	288853	225589	351979	237417	239224	244862	249034	274190	277639
imidazole propionate	39283	39396	71927	68765	53137	54262	94643	44738	51128	32014	43178	65769	50646	62033	42855	53824	26665	18707	31314	43651	17730	30372	21444	28906	19915	31555	39283	39422	83446	110992	46520	39564	55886	60419	24251	34583	16603	19286	52746	85893	36831	44202	51050	43510	54174	56324	37575	64200	39283	39584	19021	16267	40432	15768	32940	23332	28575	21824	32028	21168	48173	49181	34225	34450	39283	39203
imidazoleacetate	9431	10006	23720	23434	19278	19783	14049	11977	9963	9309	9603	14990	12417	11929	11031	10913	8191	7768	7139	9799	7767	6673	8606	8329	7726	6857	9431	9630	8818	10101	8599	7590	11243	9333	7706	6387	6410	6807	12208	11052	10426	14431	12435	11177	10000	9696	12184	10153	9431	9518	9838	8656	8568	6840	7443	6680	10337	9180	7939	10007	18505	19671	11792	12309	9431	9867
inosine	2507968	2510730	7773565	7693515	11196522	11307340	3843241	2020396	4662719	1736606	5436113	1806555	2982014	1771797	1783524	2713112	2810188	2580195	2712892	2699108	2568034	2985245	2125534	2395943	2218777	2637313	2507968	2593183	2036211	2446240	1528730	1170089	2336981	1681931	3722451	3829270	1880624	2673208	1979153	2737579	1522547	1788697	1790032	1466570	2606766	1803178	1746607	2366219	2507968	2503890	2685018	7801005	2290803	2281936	2546893	2540123	1662809	2188538	1562128	2161649	5571144	5490541	4478110	4478320	2507968	2460781
isoleucine	277208929	285471424	527142453	524930377	438975536	469842495	536333349	372091303	357366148	238770899	334135448	467964574	342865861	306175166	284274311	265323910	362428978	249808062	321352847	344007152	225718606	278829031	224889615	229923676	267847471	347227399	277208929	282182604	298496175	272675768	231441383	215380447	270808633	272581458	294329446	320144761	286422168	305512728	274033914	288101238	217454603	288937299	230771483	252058134	275273804	244130662	234096838	272391672	277208929	280476084	400752768	278586598	364418664	248756041	269715168	324992872	226594405	240272532	191144048	303658563	325177299	313547478	247580740	248593545	277208929	277593850
kynurenate	3479	3519	20558	19327	14258	14336	793	958	6024	549	631	733	1270	547	648	1026	780	15470	695	683	2177	525	1204	7111	223	12040	3479	3696	7868	1184	629	5062	9526	683	747	188	417	456	735	815	1655	1516	6512	119	4885	472	33050	638	3479	3485	3933	217	1704	1501	13184	1201	8007	17437	4986	10657	9257	9001	6827	7203	3479	3493
L-alpha-glutamyl-L-Lysine	2416249	2373445	4516080	4721637	4792708	4899606	3792021	3340192	3173991	3191379	2949736	3573662	3328790	2979157	3129222	3220775	2556535	2398093	2055128	2725933	1759304	2075139	1824507	2263278	2155162	2214457	2416249	2457868	3211391	3034363	2521512	2184802	2471706	2055791	2365971	2382741	2272683	2163027	3093594	2958522	2154991	3218233	2813079	2776915	2546978	3017753	2615599	3375230	2416249	2406379	2717669	2316616	2494384	1661045	2110950	2085230	1951510	2023776	1497485	2294926	2945952	2966263	2912025	2826117	2416249	2397872
leucine	503130928	498925844	912549412	917549737	703718050	728924486	955989496	651394007	632954585	445297014	596760989	848530265	636124129	543055285	517434233	475220501	680328408	465802168	596116381	633606772	419839937	542220231	425448174	446484802	497724116	657380341	503130928	496559034	578249646	460452667	396120502	366846891	456980602	458181029	559134093	623120259	496452210	562084845	530092940	513673264	370605391	495927314	419450608	446584020	507931239	422562393	421603911	476252806	503130928	503289911	820932293	536120512	641789293	486728475	478790190	647803070	438462959	416032496	344942134	518708679	577740425	580093066	390105703	385035793	503130928	494290729
leu-gly	12013	11285	21352	20569	19423	18133	17501	13274	13068	11203	14021	15231	14004	11733	13325	15510	14590	14198	13702	14871	10951	13260	9862	10937	10804	11935	12013	10904	13849	11468	9485	8254	9141	10684	13721	13155	9268	9938	14293	13187	8858	8960	10159	7374	11360	10754	8679	11525	12013	11311	13570	13951	12928	13931	15330	17230	13653	12019	7374	9121	13629	13776	12419	12216	12013	11922
linoleoyl ethanolamide	110462	116665	126646	119728	107508	106730	95725	89233	104654	98242	140168	117226	115096	143030	80308	122364	80903	124048	123315	114062	124637	111592	110088	104736	119288	95376	110462	101009	107821	146684	149691	128496	96535	97517	114615	91210	104472	83914	114025	94112	108432	125722	104661	68410	121004	73603	153929	102896	110462	110608	89942	101434	154115	243113	158568	138433	257691	114235	106259	201637	107550	104169	89910	89175	110462	103687
lysine	2834883	2826766	4333390	4284167	3312749	3339323	5085905	3759359	3381743	2977703	3270004	4408273	3544154	2992303	2858483	2653055	3510821	2631635	3036363	3401680	2457835	2966618	2500807	2424642	2654827	3147417	2834883	2831877	3316832	2746958	2182370	2105100	2674693	2793557	2990918	3292607	2794905	2949145	2979997	2855559	2206431	3024082	2510140	3077393	2913277	2693762	2616218	3168723	2834883	2825275	4507306	3407088	3466344	2604930	3045782	4243881	2492080	2582798	2273069	2911489	2972131	2940999	2043058	2002450	2834883	2831400
methionine	428624	422069	828024	812876	792632	809394	849522	597211	616615	415229	526442	733178	578750	478218	465786	450212	533586	375911	482974	504604	350607	453423	387918	379343	387969	549140	428624	430466	515234	450102	358352	305726	422342	409583	479822	556656	422635	471425	475882	504133	345143	465047	386870	403932	475894	376621	407372	456536	428624	421574	621529	426840	509128	362627	429775	514421	357714	383502	313426	455131	538916	547015	433501	437723	428624	431678
methionine sulfoxide	21413	22885	79628	78903	93695	93901	51045	37952	26063	21377	32527	40605	26149	25364	30019	29323	24846	21363	19897	16015	14368	21351	18780	18364	15251	27713	21413	21151	32328	29282	19890	14404	22436	18679	25132	30082	22565	20363	23555	27926	19458	26398	21493	19118	29049	17150	19163	22700	21413	20126	28172	19612	23786	14420	20080	20735	15790	19518	15127	36097	47454	48220	43260	41911	21413	24018
methyl N-methylanthranilate	28773	27761	28858	28883	28069	30857	23453	26943	29448	23631	28913	27855	28980	30472	22731	32650	21751	25277	30560	27256	27693	27655	27173	24923	25730	27177	28773	25002	32925	28418	30566	32264	35870	26819	32758	30747	28952	33118	33574	31877	27799	40975	29683	34191	33992	25112	39406	39124	28773	27112	25723	29515	38161	30261	38436	33360	33261	34322	27919	28726	27024	29002	30003	29636	28773	27421
methylguanidine	691332	680912	1010387	1064202	1022209	929359	838106	639435	652579	425420	626952	900140	513653	437835	750704	680200	508059	595953	453304	397722	439027	761145	675666	941587	517506	734957	691332	788062	1164123	1204767	437777	637424	628844	629611	727519	843779	543963	721459	527416	505313	601017	728360	553721	457157	609779	486328	586723	613698	691332	617129	805950	847336	681456	809217	792038	716901	905213	606798	756700	1016560	737179	749954	674274	652946	691332	673899
methylimidazoleacetate	3045	2386	4470	3966	6884	6388	2796	4207	2533	5216	2476	9508	4608	2638	2276	1954	1839	1521	550	1348	1624	783	791	603	2379	3997	3045	3456	1870	2626	2139	3024	3986	4085	nan	427	nan	1200	3552	5404	nan	6305	1922	3663	1506	7796	3027	4319	3045	4317	1730	718	8231	4114	4466	4046	3078	8981	4287	9254	4536	3512	5877	5719	3045	4753
methylthioadenosine	1815611	1789412	1117292	1155816	1165379	1221962	1387984	1490923	1639572	1742209	1193194	1305020	1360677	1299632	1498148	1501154	1328430	1472461	1649880	1273875	1206898	1347833	1377690	1270257	1392568	1702117	1815611	1806013	1946172	2124301	1699698	1450015	1733972	1784552	1734837	1772611	1849845	1998304	1965408	1545668	1493881	1651664	1601882	1553575	1709506	1603494	1841306	2316913	1815611	1807916	2456367	2149916	2070135	1452064	1909265	1800651	1615694	1407549	1329655	1918181	1242876	1221756	1313990	1299212	1815611	1802294
myristoleate	6613	6237	3283	1921	6409	5947	7706	6325	5279	9882	8072	7786	7108	4967	4336	6519	3979	8688	5180	6177	5431	6533	2436	1421	6006	2411	6613	4953	12122	8334	4967	5778	3649	5431	10765	6655	5107	8266	6789	8449	nan	4903	10469	5808	9983	4196	7049	6103	6613	7543	3752	2516	10399	15197	8585	9564	12136	8515	7510	9963	6871	6527	8762	9956	6613	7160
N1-acetylspermidine	625990	603930	1087953	1098654	1128416	1132744	982499	604629	697835	512500	580947	652591	721869	640745	728585	691221	756332	579365	669157	589122	598895	603086	573748	622708	642805	699134	625990	622944	657594	578711	599570	531096	725668	590742	728021	706916	635371	598418	705573	712808	629168	750271	656197	661481	681323	686729	586612	743608	625990	627059	906425	715850	688547	456046	762990	668587	591612	605134	504344	683676	793902	803894	772729	761244	625990	627390
N1-methyl-2-pyridone-5-carboxamide	25298	25710	29834	29556	35531	36159	21765	23596	24175	20746	21932	18828	30386	27538	25564	23109	29517	19729	31045	28205	31657	29922	23041	19934	34682	35039	25298	24132	19505	24545	21828	18574	25617	27094	30866	23208	25494	27190	22199	23044	18455	28022	18535	21183	18993	24737	19376	24877	25298	24270	27731	16431	30472	28749	33821	35461	28582	31405	32888	33248	23439	22424	28360	27042	25298	25871
N4-acetylcytidine	54275	51012	29658	29479	35346	36118	41858	46908	43019	38636	38754	37452	37450	29729	29580	27726	91365	80245	86868	64591	86774	78175	60987	52777	58377	85157	54275	54696	56495	31146	39734	28607	39306	58145	84232	79954	86760	70780	36032	30661	24421	29482	29976	21988	30080	25054	33323	28521	54275	52472	89443	82476	95240	69905	84024	73383	67544	87236	59333	85939	20063	18900	21475	21040	54275	52320
N6,N6,N6-trimethyllysine	3054063	2967996	2961279	3046491	2689123	2659761	3338142	3306007	3094213	2380285	3217526	3463254	2908056	3008874	3409835	3410330	3023241	2551476	2678264	1999560	2495187	3018027	2713063	2294280	2329601	3088773	3054063	2929195	3422974	3301730	2806682	3256696	3645582	3035212	3610653	3730638	3388980	3035498	3394746	3277420	2773347	4448411	3428603	4872553	3008323	3283595	3872976	3985297	3054063	3023345	3509202	3420681	3346445	2047205	3167197	2803465	3140814	3040235	2518491	3309709	2130161	2154399	1728792	1740155	3054063	2934181
N6,N6-dimethyllysine	30095	30230	56298	57789	58810	59119	67559	31867	47200	24752	36508	29660	34980	30814	36791	30911	34137	22324	26324	27158	30742	36709	34882	24292	23385	32225	30095	30206	38070	29092	22157	24373	30208	23931	24142	30761	28214	24340	42473	42531	41741	54597	38891	46279	32359	47905	32066	38633	30095	30583	44137	38137	27064	23850	34760	37752	22076	27652	19658	27421	41957	42867	37090	35409	30095	31490
N6-acetyllysine	27033	28186	39616	43828	48895	48010	39805	27635	36303	22818	28507	28188	34791	29993	30446	27160	30104	22886	22685	23738	31212	28415	26438	22388	21361	30103	27033	25751	40738	30522	25194	23883	30060	23752	24870	28498	25027	24020	32005	33324	31160	36474	32984	35623	30076	32906	25664	32791	27033	28557	35953	29375	45518	26236	31376	32842	25106	25303	21285	28026	32321	32292	31049	32333	27033	27138
N6-methyllysine	8279	7867	12078	12662	12321	12682	14210	9158	13236	7078	8921	9759	9903	7242	9403	7617	9091	6738	6837	7661	8357	9041	8050	5961	6533	9326	8279	8426	9917	8077	5814	5856	7993	7405	8653	7767	7418	6540	10782	10771	10766	11881	10496	13142	8868	12814	8762	11745	8279	8548	13578	11212	9475	7940	11009	10373	7820	7811	6123	10307	8459	8852	8102	8026	8279	8476
N-acetylalanine	588	634	1059	942	935	947	986	637	683	530	615	587	626	612	663	610	653	590	628	554	564	682	622	515	597	605	588	581	731	675	533	563	605	561	507	713	523	579	727	879	705	890	651	594	641	587	704	768	588	607	658	731	668	536	701	697	595	541	509	475	768	670	660	548	588	524
N-acetylaspartate	44520	44148	60370	59580	77706	77502	58421	55773	47494	42836	45737	63829	61429	45856	59344	68282	51853	39263	33963	38622	34709	31249	34564	32255	37086	42109	44520	43634	46874	60179	46343	37486	43912	30711	50958	39858	47583	45006	67068	61852	49404	63827	62043	51120	61411	56511	52959	60103	44520	45944	41944	39823	33999	23586	34767	33272	31192	30402	23336	42573	43102	46267	51264	51653	44520	40887
N-acetylglutamine	343702	385837	581960	578892	1096920	1094699	489123	415485	7502	402595	414397	448271	501608	475292	379966	376684	391991	282999	287317	211487	396598	282909	237186	185702	213296	385775	343702	312331	504465	313988	301805	236957	300049	286684	253278	314266	260506	245258	402438	374026	339942	440686	351310	292220	330720	225679	385374	408666	343702	347680	445307	331478	580235	324075	379710	330741	305865	299634	215616	289293	319162	340369	689397	690040	343702	351172
N-acetylhistamine	3783	3493	6642	5619	8212	7439	5224	5057	4159	4465	4453	6868	3683	3608	5228	4893	3462	3130	3524	3655	3276	5426	3248	3752	3258	3619	3783	4013	4459	5544	5376	3227	4685	3561	4220	3390	2804	3311	3220	2988	3586	5116	3661	3229	2620	5408	3720	4012	3783	3290	2875	2642	2714	2584	2412	2077	3752	3590	3320	4084	4636	5115	5380	5679	3783	3855
N-acetylhistidine	25446	27665	22866	22878	23173	22635	26449	24070	19704	23165	22263	27719	27969	22697	23581	24211	32218	25851	24819	25203	27233	23448	26147	26244	29024	27356	25446	26658	20813	26163	20243	18744	24438	29448	30139	29756	30407	29348	20424	25803	21149	25853	23203	20563	23259	26625	24344	25071	25446	25769	30462	27119	34697	29309	37598	28270	31440	28929	26606	30303	19546	18454	20286	20730	25446	25191
N-acetylleucine	60771	60138	49299	48226	133442	129177	51777	123538	136893	49852	41132	52786	48045	42433	32744	71670	40968	38931	138995	41827	51210	66754	54349	70280	61468	66023	60771	61786	123554	58706	106151	47484	54130	28039	32523	44110	42375	43066	46424	37530	70988	96500	75291	39762	29305	77653	47727	73904	60771	58631	36366	107357	110606	36382	107341	35751	40767	38786	87257	44829	74714	75435	33696	33872	60771	62289
N-acetylmethionine	598217	573267	1446518	1357809	1453797	1478940	1419742	561999	918755	568950	737767	605686	718813	549915	574130	739563	714323	598940	590175	983030	648708	648393	516982	619394	632492	737552	598217	586188	688775	599333	382857	464499	552655	526164	457461	1219339	418029	543533	423164	771719	361833	468505	371708	330307	616793	382061	444189	575284	598217	567836	586265	723260	509243	703322	748107	748561	525776	832509	528597	593161	1090747	1219340	583815	624618	598217	591568
N-acetylornithine	71467	71313	129421	130287	128489	130993	105545	92267	105962	75117	89137	110053	89576	78186	93062	95905	61901	56362	79627	53512	62198	74811	61445	51083	46176	81415	71467	71271	80193	80012	65106	63502	87507	65994	81577	68847	73648	72759	87645	90170	71741	99301	87665	80075	78115	84983	76283	93622	71467	73064	84469	62773	81193	42097	69894	60490	65811	50850	41952	66031	85637	85653	75035	76150	71467	70357
N-acetylputrescine	14631	14881	26585	26535	25663	25758	26593	16755	20903	18103	20197	18524	18228	16745	20424	17982	18846	14867	14502	11909	15792	16240	14505	12966	12111	17459	14631	15187	16344	15848	14917	12572	16782	13407	16817	17215	14510	14505	17538	18021	16558	17952	17242	15621	16691	15714	13565	18147	14631	15346	18460	16347	15640	11090	17212	14532	12976	12533	10447	14399	18155	17707	18408	17756	14631	14766
N-acetylserotonin	807450	803690	867067	831442	718061	706971	490581	599141	539545	371253	655187	491555	399566	344728	898434	750223	638361	784998	681044	723692	745138	1388999	996973	1549041	1325407	844792	807450	743807	947780	835075	1054340	2032423	319382	417660	387909	721707	365445	351164	306549	406225	560592	669477	1017169	898792	567812	680956	657038	865828	807450	777646	1007349	1792765	1153410	1429633	941582	1354520	1539925	890043	850896	724433	658962	705330	522542	547134	807450	826254
N-alpha-acetylarginine	6848	6814	10422	11732	11850	12270	7720	6608	6518	4999	6581	7179	6887	7356	7904	7757	8395	6868	6916	6212	9630	7492	7403	7662	6737	8960	6848	7297	11089	7663	6362	7834	6558	6857	7275	7747	7264	6548	7310	8122	6506	8963	7840	7830	7942	6567	6486	6834	6848	7213	9770	8217	11584	7292	8416	9520	7735	7132	5604	7131	8403	9551	7766	8534	6848	7529
N-carbamoyl-beta-alanine	1119	1308	1463	1527	2032	2119	1351	1170	1135	1119	1298	1501	2620	1242	1675	1288	1233	895	961	1216	967	687	679	645	1441	1010	1119	1163	1133	1128	921	943	988	1581	1182	981	872	837	1450	1218	992	1649	1086	1529	922	1060	1273	1325	1119	1198	1170	971	1694	995	1347	1306	1424	1401	1268	1567	1001	1125	1435	1569	1119	1110
niacinamide	26450595	26457949	45465604	45225731	48541556	48321382	26340002	23826704	29095158	17922496	32226966	23316852	32870807	26174661	31410058	34554606	33148842	32270525	29557292	29470291	27115504	31295427	19615846	23761281	23831874	28293921	26450595	26405807	26994120	28893799	27196268	21136431	26955057	29005075	34822339	30862128	23249849	26983100	31211108	33626423	20381053	20523778	23381550	21950715	23701411	18676532	19305172	25033750	26450595	26018765	28494703	38457836	28026765	22169332	29376420	27717198	27368496	29811216	17188611	19889622	40149767	40218778	30893134	31277953	26450595	26821911
N-lauroylglycine	9291	9735	7132	6533	5786	5756	16522	8009	6317	8820	8406	5762	6580	8400	19283	5722	8752	7214	12689	7112	11933	8435	6631	11775	5955	5451	9291	9492	7002	9390	9885	17737	8004	8021	6731	8411	6972	6387	5840	5980	7704	9412	8587	6133	6616	6312	7969	8130	9291	9137	4925	6069	7451	20423	7810	6675	19123	6696	6703	25124	7969	7429	6792	6615	9291	9379
N-methylproline	18398	18183	31727	31312	32099	30446	25310	20839	23046	13213	21563	23225	20320	21174	18577	22453	11487	9876	10286	10142	10691	10834	11272	10753	9751	12573	18398	18227	13883	13270	9076	9879	11640	11761	13455	12135	13499	11362	23713	23282	17754	26848	21680	22535	18630	34108	21374	26085	18398	18322	27630	20258	34105	28917	34972	22978	21992	34610	15252	37380	23910	23227	20513	21687	18398	18920
NMMA	93044	92865	139745	139931	130800	130920	190313	127654	148706	99450	114498	145303	116010	98624	108708	114319	97995	75926	91269	90095	82143	93065	83333	76526	70780	100544	93044	90836	101919	97616	72445	76512	97523	81376	96644	103566	82756	90196	107686	109961	91088	113903	100092	113632	102707	101570	103622	121157	93044	93878	121057	99573	88767	68848	106773	104346	75318	81888	69004	88040	93252	94761	71718	69790	93044	94772
ornithine	50812	49892	87686	86106	66286	66852	86435	75291	70386	60056	76776	81976	57123	57392	58283	60738	41292	42386	40024	34440	40535	43563	52661	39152	37535	51168	50812	51625	70372	69325	37109	46208	54565	45744	51003	59059	60230	42661	70336	75886	57745	85164	60236	73949	75333	59096	67801	78471	50812	52762	58966	54906	51305	33934	46971	40520	33483	40223	33405	54254	65690	66831	50532	51378	50812	50382
pantothenate	3277735	3200604	6516735	6376140	7765843	7674230	5855269	4039104	3977745	2670373	3390026	4558487	5235042	4580377	4352935	4777856	3017783	2197008	2233257	1982304	2071153	2080307	1687026	1937991	1981805	2957505	3277735	3257794	3706080	4323057	3903922	2753140	4056171	2129389	2511710	2461716	2189901	2270818	4286568	4258662	3626136	3946881	4077885	3567741	4127759	2959554	3934787	5146883	3277735	3232679	2680296	1869168	2181557	1637945	1849196	2175908	1566517	2131726	1965054	2865013	4166748	4195990	4249158	4254648	3277735	3243637
pantothenol	5191	5073	4867	4986	3106	4180	5312	4527	2861	4130	6344	4398	4748	5978	2665	4501	5188	5498	5938	4793	5462	6263	5507	4099	5705	3723	5191	5720	4491	6774	9833	9600	4035	5262	4778	4145	7078	3323	3609	3017	5110	5708	5916	3826	3862	3033	6859	5648	5191	4973	3843	4454	5695	4805	5239	4990	4026	5043	5763	5632	5362	5238	5084	4384	5191	4572
phenylalanine	278215937	277790626	534820176	526735404	403980773	408890841	579480485	371964645	355915439	252494716	336232437	507251171	369407771	305920651	279477041	260703994	369165750	249998928	311549611	341961010	211871870	292142426	230045533	235971607	258058384	357777793	278215937	269504724	321540437	258281363	222867917	195211442	253351356	241041796	294275831	347152120	261952696	303529647	304475440	298076237	226116432	288704363	248183772	255464836	304041936	239218369	239567983	278357233	278215937	277797286	463891958	303595756	329936346	271260415	264139762	367841582	229139388	228810612	190439647	269316486	332188534	341333458	216813448	218477941	278215937	276528927
phosphocholine	4255941231	4157171832	5884876181	5879452947	7106382128	7192906165	6255144196	5162983591	5165075124	3012299721	4328884943	4641067311	4937740563	4304379604	5378208697	5302783600	4918709061	3798120828	3939258350	3201821672	4084618573	4146550407	3684862037	3158995808	3489520981	5695040070	4255941231	4117899172	4991418438	4660262278	4298552264	3126798481	4529900374	4651555913	5415621419	4829132510	4364160473	4496140485	4861892109	5294023649	4222392681	4824442862	4981340844	5034597537	4883423551	4394950646	4080842800	4905150789	4255941231	4272097213	5554892278	4292567822	4613577294	2764424071	4715805177	4044309378	4238361031	3957812165	3585650239	4959268513	4783177674	4820245189	4469691272	4514981450	4255941231	4210641938
pipecolate	33972	32742	63415	61930	66378	68098	45807	33603	32325	29858	32507	33562	43338	37430	41817	40271	39206	32306	31243	27820	34501	29764	26514	27618	27771	31414	33972	33085	51354	39689	38509	34313	45327	36397	34051	36912	34102	29870	40740	39087	31672	41810	37253	34229	33066	34882	36843	40741	33972	34604	44895	31040	55463	26897	37717	32287	31010	27314	25380	41491	46309	47936	45114	46952	33972	34873
pro-gly	3626	3455	5217	5132	5325	5196	3917	3274	4333	2815	4274	3212	3544	2905	3806	3437	3013	3260	3059	3291	3210	3592	3462	2886	3079	3804	3626	3182	3636	3275	2694	3215	2798	3160	2954	3776	2869	2773	3717	4060	4223	4327	4571	5214	3811	5063	3864	5193	3626	3751	4772	5166	4537	4756	4935	5607	4588	3863	3219	3532	3689	3447	3021	3319	3626	3459
proline	3468353	3427801	6005748	5965928	5952814	6065266	6081868	4455446	4528846	3274932	4102180	5585520	4276071	3658245	3778947	3415096	4273639	2940599	3564529	3766837	3039574	3436623	3166332	3278624	3057407	4170246	3468353	3423809	3890696	3518238	2780162	2557206	3387903	3071825	3560622	4232989	3319466	3446758	3860934	3929821	3280445	3761091	3519381	3568295	3976187	3471679	3152140	3743577	3468353	3511769	5052100	3826487	3973590	3185151	3611789	4282429	3157830	2981397	2603056	3508631	4315156	4281823	3761034	3810361	3468353	3444590
proline-betaine	1519505	1505760	1719917	1645194	1683431	1665268	2137973	1242435	2391228	1166746	1751990	1460023	2060113	1217066	1628999	1326637	1293078	1242920	1322885	1224911	1901864	1817398	1832536	964588	1086573	2102267	1519505	1503248	1870889	1582577	734258	950534	1571906	1589608	1384957	1532888	1109116	1401220	1600192	1651651	2204359	1760352	1914500	2450338	1436172	2826862	1666625	2370114	1519505	1505697	2028374	2053180	1658355	1846958	2028483	1376831	1315655	1572284	1236006	1126659	1192400	1191661	1130734	1112172	1519505	1505472
putrescine	93988	93892	117282	115144	115774	115698	116080	101633	109326	96672	112616	104621	101138	86867	106449	97930	102649	98150	87627	79983	94521	97774	97335	80863	77669	109136	93988	93552	100849	100807	85646	85030	96969	93719	100195	102583	97657	98458	102792	104860	98690	107046	103756	106178	100167	94261	97529	101375	93988	93955	107717	104404	99703	77451	103132	94740	89222	96716	78188	99527	99729	102696	98371	97094	93988	93567
ribothymidine	208059	179539	12224	7590	45047	61831	377236	495533	262357	313673	212996	408066	159353	199027	761333	395463	270679	421476	207323	90910	166105	493724	143223	147892	140798	92046	208059	225433	110890	76603	156634	198714	172055	166746	84227	223333	184333	257538	165548	160567	165079	145141	480238	351391	154412	237721	160339	243199	208059	249464	421024	674999	115023	14469	52902	71757	48375	135169	86417	9684	77438	69643	33043	13671	208059	224458
S-adenosylhomocysteine	241629	181062	425917	417043	503181	521989	491466	351222	713452	253855	503383	344736	330661	310500	154866	217450	242716	308023	284378	329241	271367	245454	191328	246366	210945	327573	241629	209381	244175	211297	206954	79266	153486	211517	250668	317031	166359	246167	268222	292960	159967	144306	140170	87097	210455	214712	145463	217962	241629	254426	307629	382129	238930	204124	233291	348067	172552	210785	175839	267737	305644	334284	263813	284404	241629	299533
S-adenosylmethionine	226726	226290	300077	298951	320681	323103	381593	320345	327405	252915	250763	299403	267466	244974	271676	265175	229171	214971	212416	217392	188733	219641	218405	198065	193698	261243	226726	226577	300362	246367	216155	195764	227265	218911	232033	232260	220122	216086	278451	291981	222239	271246	239997	265174	234520	247924	233057	277758	226726	223753	304878	274554	276332	161979	253165	249635	210655	223107	184423	247150	220225	219791	204367	194532	226726	232595
SDMA	8096369	8149482	15192896	15123217	16209519	16317559	15628700	10117637	10589606	6744937	8798335	10118407	10091805	8572204	8982263	8868412	9770031	7221760	7429890	7032416	7243886	7593519	6843991	5855993	6068439	9581925	8096369	8331937	10364981	8108302	6720079	6017497	7392781	6911408	9252811	9554916	7582333	7413823	10455002	10642098	7943610	10590734	8230279	9791876	8039476	8676079	7928076	9215979	8096369	7788694	11488053	9758734	9230136	5268586	8832522	9175136	6532440	7397771	5372143	8485799	9561757	10113010	8956472	9152605	8096369	8459992
serine	81578	82293	104002	104268	105690	103249	121760	100037	94103	83211	91118	108989	96025	84966	77487	68306	84338	69374	74129	82485	73047	73517	77022	71505	67907	92179	81578	81647	82794	78399	64836	60819	72772	75095	76222	91876	76565	79797	77946	83905	65602	75522	75367	74506	90842	74721	69330	80347	81578	78976	108138	89698	87346	74737	82967	92801	71142	73965	66077	76252	80458	80292	73089	71962	81578	80956
serotonin	679985	678575	1154128	1096964	1020617	1011211	745709	717390	787579	565976	593027	786869	706152	628842	769355	708824	837634	628248	739494	701381	620411	692767	660549	610648	643105	875275	679985	681503	711001	703144	607249	521738	684845	729959	905174	768419	707039	768591	738977	772537	535374	819316	659037	647625	630229	708387	570542	716149	679985	692022	949242	791297	885093	466923	841552	683503	728287	774365	613947	821652	734548	709040	628266	637765	679985	686268
S-methyl-L-cysteine-S-oxide	83285	81807	74734	69280	60580	62248	97522	96532	101445	94688	85105	85027	79454	72214	87605	78516	72991	85736	89958	95597	77205	95612	76104	81890	90996	83664	83285	78814	90729	68444	81967	76921	80364	83436	74365	81041	74312	84734	96817	90183	70729	84579	78674	78548	75717	83515	93397	106481	83285	84295	102661	101821	96664	72671	91926	92988	85283	74385	68479	77834	58829	58775	49103	44274	83285	83518
spermidine	11711257	11791961	9627141	9144970	7463012	7158266	13249832	14050453	19230277	17348049	13821706	15757771	15309402	13253999	12083875	10568109	9969920	10229015	11828414	12690222	11148104	12461634	11765779	10583156	11394318	11758209	11711257	11603331	13564242	10978915	11595553	11692021	12576190	12678768	10204586	11488433	9892225	11199256	11007283	10688456	9754731	11401934	10851453	13290467	9872440	11723363	12253416	14618271	11711257	11315702	14643273	14003044	14876605	11301956	14685133	14314644	12191016	13197012	11969265	11958884	7343577	6637296	5124031	4616875	11711257	12914645
taurine	25142667	24794565	33754480	33161895	34793400	34742231	29104344	27061106	27703175	23273779	25906141	27400621	27749694	25690177	28955506	29823172	27141926	24971561	24917455	24087255	23128941	24429826	22989368	24181188	22853853	27317426	25142667	25295575	28387341	27679342	25268227	22557794	27074145	25091215	27744384	27311107	26132531	26111242	27104268	27638550	24020114	28209140	26736977	25358211	26504934	24641398	26101040	27407840	25142667	25202256	27942828	25222101	26023439	20693066	25170841	23385895	22888729	24023022	21367216	25992623	27576686	27653637	27037836	27419647	25142667	24891019
thiamine	49946	49354	134732	132577	223018	221409	122635	36805	102240	34126	104583	53308	47958	29027	42253	48354	41710	33238	34283	52739	28041	51985	31551	49807	30797	48097	49946	49639	32492	33971	24131	26982	33689	44376	63635	84045	32984	50940	35322	54776	35329	51665	45000	205394	53157	43439	41176	57017	49946	52125	42172	174435	48093	42499	104206	34435	41355	48848	30071	45683	85344	85279	71505	72566	49946	52168
threonine	123584	121970	159697	160414	157420	159115	186716	155573	164680	136927	156675	176447	144370	137589	121478	104721	138585	104103	125612	141024	110438	122557	114230	111929	115066	137404	123584	124344	129670	124471	106354	102601	115493	117741	120936	129029	115242	117578	117281	129548	112487	116847	116184	113785	134945	125633	102818	122508	123584	123657	140042	114969	130854	119853	128057	149276	118400	116705	105796	121365	130018	133541	128334	128445	123584	127548
thymidine	2079723	2134323	2961813	2969852	2817842	2932104	5074966	2160705	3323539	1332860	2179367	1910102	3335673	2469777	1729792	1626874	2714336	1476685	1804129	1698686	1825094	2207542	1717716	1242648	1378259	1955813	2079723	2144695	1590827	1695980	1904133	1244381	1568458	1348234	1657275	1906465	1501728	1384421	1990583	1672548	2254735	1752646	1808619	1915604	1517321	1938347	1687760	2649884	2079723	2114621	2297413	1876915	1570849	1728757	1704565	2043528	927746	1743489	1661180	2077264	1814524	1862809	1423611	1417881	2079723	2108076
trigonelline	277754	281341	372806	363356	419169	416762	323093	227093	299013	226040	273784	320149	296576	255555	299378	297202	324457	332022	305295	259095	336655	371986	386181	343448	298533	399544	277754	274435	154046	207419	168911	233632	280694	292160	312476	348881	283093	345916	270942	221292	285965	297665	278859	269804	246372	262685	263250	272030	277754	274775	347726	328251	268965	299463	295888	245511	293335	239593	236291	264608	296866	289863	307861	318197	277754	273860
trimethylamine-N-oxide	41745	41642	61250	62186	54917	55217	43597	51413	29127	32650	40699	48693	48521	41224	58281	63615	68000	63034	40743	27372	59337	64090	62404	52958	55448	72424	41745	41443	59890	67429	31932	34931	57286	47423	51296	59048	47788	47649	48616	49680	45390	54460	39870	39894	42923	24014	31783	27129	41745	41848	51487	5900	14573	33022	23405	12675	14579	25645	9880	48157	42449	40222	29876	28963	41745	42850
trimethylbenzene	3141	3405	5260	5089	3550	4536	3352	4483	4644	2571	4066	4447	4072	3135	4535	5649	2621	1276	3360	1456	2450	3398	550	3218	2577	4241	3141	4444	3666	3101	1949	nan	4887	3329	2772	5756	4125	2755	2960	4333	2152	2132	430	nan	3748	nan	3348	2610	3141	2858	2494	1085	3715	4566	3148	3287	5628	2880	5129	6822	3257	3701	3416	2337	3141	4252
tryptophan	49501810	48864698	73321467	75791115	74047061	72628569	73957148	53001412	52350233	45111070	52649140	69880081	54209926	48769950	49699344	41964227	57904773	47572685	59652150	66410210	42893855	52910133	47041205	48300741	53118434	59989568	49501810	51492155	51279638	46868242	40196182	39119578	43573098	48238452	51575914	55674390	48417414	54263801	46033125	45327171	38353700	43481997	42258068	41672325	50266707	42329712	40485424	44495386	49501810	49415829	67204908	57164966	61264397	54309380	50131577	66542453	48079294	47920046	43472298	53042118	60991433	60332593	56098776	56785444	49501810	48658565
tyrosine	44497965	43542105	75473964	76139147	85838924	84474111	76232396	57144680	59153405	41620372	53893327	74000884	60470773	48417275	51498906	47029994	53791496	39465938	50489502	52190389	37645817	47970415	41684636	39008100	44365943	59420929	44497965	45417471	55173395	50217081	37475901	30484344	41348753	39869031	47076342	56036910	42982263	45424672	47798947	50087387	33694055	46796626	42430044	38832701	47461283	42243182	41538563	47912444	44497965	45013046	65992768	43949636	54498198	38850339	44501004	48892663	38015404	38102059	31509194	47919333	50702648	50702549	49743209	49877246	44497965	44408537
urate	23498	22791	63156	62594	73600	75220	135335	23322	58865	13762	15046	34971	39659	22841	12371	11532	47043	19332	44477	58571	22549	25977	19686	40455	35624	49018	23498	23838	16373	14211	18389	7514	10781	14135	25706	29298	14418	28232	21075	20676	17820	10638	11652	15503	19793	14224	12194	16802	23498	23328	51200	27717	28749	29466	19977	41199	16237	15004	14839	23734	37876	36527	34552	33727	23498	22909
urocanate	35992	36046	88478	89240	87458	92984	25642	25962	22163	37393	18117	19407	21969	15850	9411	9867	21151	20277	13389	17417	19229	18714	15635	23754	18402	25259	35992	35808	10261	27214	22595	20192	16769	13263	9767	11759	51164	16185	36963	18467	31544	19171	25206	16004	54686	22900	28408	31737	35992	38060	28730	25059	25333	78490	22781	55364	99269	78238	61272	61601	76711	76441	114504	113801	35992	37023
valine	281828408	282484259	525125017	522407292	458860021	454889999	515146885	357639548	353064930	261487453	342367322	478324271	338218152	305102281	308014194	277516759	377980872	264255229	332409911	346469536	242500635	309957891	248030080	248365416	279637708	372447895	281828408	285834593	326917693	277849844	223477107	213892300	277467934	270628317	310367836	350985948	289994168	308017603	290894741	293539091	213958053	294668598	250758973	269446013	291158764	258961358	246264149	279602733	281828408	279352418	424878998	289533011	352832366	269951589	262775214	357118649	242588242	244616935	205067333	307821680	345723793	352084391	263321135	258663873	281828408	280326536
warfarin	31349	34693	nan	nan	nan	nan	764	nan	13164	21448	4109	1062	20745	nan	30239	nan	26819	9851	22620	6336	8690	9191	5535	11683	32110	17358	31349	26209	4583	8319	22894	nan	13239	1145	16760	7353	28845	37948	4809	2309	1660	7905	1488	6535	22290	2763	39463	6794	31349	31490	43264	6093	41888	311390	40104	47667	411648	24107	35353	253605	2096	309	nan	nan	31349	40455
xanthine	170731	163518	618872	573139	644989	612360	940700	135516	308742	96511	194575	178472	244900	146295	88423	131081	290947	140088	220591	342977	155011	159727	126077	237882	229976	262366	170731	180754	116962	125474	105410	51844	102072	99924	230909	257590	98321	246018	94461	156217	95691	57416	66139	40116	176167	72851	60871	104352	170731	171382	258936	262378	188287	157754	187934	265659	111603	180682	149288	231861	509770	499982	316447	309525	170731	171663
xanthosine	1928817	1851285	4873215	5053184	5091062	5166824	11102000	1478485	3577175	1078645	1108147	2348134	2469912	1729319	901750	889012	3136579	1263795	2788541	4320372	1376279	1631277	1452153	3096044	2899210	2793583	1928817	1940635	1100600	1023751	1656380	601371	867047	1039810	2384382	2363432	1152661	2664443	1365149	1317331	1034645	581840	767405	707357	1760530	788079	692420	1207517	1928817	1806553	3727847	2109592	2477071	1779475	2264175	3304499	1499492	1264540	1542471	2304000	4018945	4023911	2800128	2861305	1928817	1968886
C14:0 LPC	89569	84367	187899	184776	146518	152252	135404	100358	137362	95347	138569	185406	97478	89771	132863	111976	102308	74679	107772	106009	82054	133873	103175	95819	82523	125792	89569	94193	122935	127888	66392	74050	105801	92725	111286	116201	95350	97882	97849	84533	67926	110682	87036	76679	87063	77731	90728	101129	89569	86730	111298	65920	92190	48643	82119	80435	68212	57528	61587	79788	128731	125860	96064	94523	89569	85229
C16:1 LPC	108040	109522	228618	228474	187834	188736	160110	109157	252620	137470	215215	267844	118961	100638	146659	119266	116662	90999	147117	130014	81708	167374	110610	113966	98919	125913	108040	109201	137890	136640	71548	83352	123740	94785	136136	123772	98777	105606	106600	79971	80301	121102	100181	75149	88737	99480	106024	103123	108040	101890	108708	89701	97147	57749	94953	78908	74767	80788	68142	92433	156426	155470	109563	114335	108040	110523
C16:0 LPC	17743663	17716069	29567907	29466136	29305258	28848340	26138538	21705235	23597644	18964780	24514600	26254059	22229707	20823539	24244077	22014311	17878176	14849241	17028582	15894568	16044106	18411204	15969713	16309057	14919557	18830705	17743663	17750576	23750315	23034219	16439740	16504511	20815053	16939607	18440502	19305953	17869399	15885290	20519759	19695375	16232965	22392336	18834454	19150651	20459981	19809445	19494719	22354077	17743663	17573653	17562284	15053230	17592119	10415741	15974843	13965906	13749840	14438424	13551128	15964315	21730376	21542791	20202270	20195019	17743663	17962192
C18:3 LPC	164723	171165	258877	261520	254197	254002	246164	193075	226954	193608	236347	247284	208384	201616	215179	208035	164126	132111	167323	156544	149289	175264	156108	163775	145915	171986	164723	163628	208387	216668	152063	159010	204789	162199	171075	185612	174979	158161	179067	164548	136543	209433	162741	151236	184927	182858	189950	200118	164723	161519	145764	128297	162776	99582	146420	121969	126150	129884	134915	156362	192895	192611	188525	187722	164723	171957
C18:2 LPC	1590252	1574298	2807526	2847193	2604354	2553853	1876714	1776804	2048992	1705717	2430383	2919767	1635578	1275938	1831653	1759978	1569628	1341721	1616646	1295031	1295413	2301007	2005144	2029389	1468660	2153749	1590252	1604808	1983925	2248933	1232542	1466254	1796562	1728447	1782008	1874655	1739725	1744681	1544958	1355988	1457458	1809326	1497131	1334369	1760997	1461790	1846018	1723971	1590252	1598990	1317817	1272837	1284056	1009082	1444237	1139197	1414880	1102730	1264502	1584765	2177928	2126788	1887288	1908857	1590252	1614165
C18:1 LPC A	721854	738952	1220348	1236585	1156792	1151282	1035200	898181	1045062	829993	1167097	1212413	851398	717709	864463	789073	711822	595536	777101	762962	691661	964142	769720	731193	659263	880317	721854	737025	860836	873622	603485	617883	833153	732163	830916	833710	734372	720474	749086	718725	620032	788334	725764	657285	808251	727212	811960	826787	721854	755152	666423	659988	668718	478679	670547	630961	593419	533549	565523	637911	870145	892387	741827	778876	721854	700826
C18:1 LPC B	271545	262680	510099	516532	425124	427621	416120	301613	418615	327466	531960	531258	296573	297698	337187	311182	270308	249873	343129	278467	250525	480512	282674	284952	245856	304855	271545	267756	308277	310440	209655	200238	298118	271636	335041	331144	278399	280720	250145	246138	226279	305119	278838	247940	284861	265352	301848	329484	271545	271686	269301	245236	290872	177091	276730	253163	208911	210677	202241	271229	323339	312009	290943	291737	271545	278536
C18:0 LPC	9950858	10050400	11496347	11814792	10796879	10830320	10872673	10638618	9798880	10247132	11376670	11608461	9564946	10022823	10533368	10361908	10864316	10487527	10476531	10115838	11268941	11173904	10080604	10976385	10386766	10246748	9950858	9992253	10198456	10472413	8893513	8139243	9985760	10439228	10639221	11175676	11011138	9543411	9090596	9360795	9113345	10197911	9278331	9122087	10122629	9750364	10109541	10559985	9950858	10076882	9674486	9300450	10470620	9236591	10198390	11848822	9561647	10314234	10985544	11326630	9405326	9244861	9653062	9660451	9950858	10187098
C20:4 LPC A	282208	300043	454840	462013	423056	432494	359436	323025	295966	317700	340366	397252	389268	332481	335477	334280	268967	202622	238604	218799	219627	239876	257109	263352	276178	282092	282208	280637	352717	289536	279344	257067	325224	285759	278510	263152	264488	234318	301891	267109	272448	331767	308707	321228	349313	360223	416636	367372	282208	286061	209198	160180	256067	218683	278694	245922	265526	243476	271175	308042	291735	282287	313508	320425	282208	266786
C20:4 LPC B	1038108	1043730	2618081	2525136	2824063	2831370	2167972	1122060	1416362	1006717	1535907	1338903	1365836	1358167	1446266	1406598	1154601	950935	1056423	1059971	1032725	1189151	850653	962056	911265	1003073	1038108	1034031	1364295	1037979	869202	748858	1141855	1020159	1330276	1231767	1005858	1031567	1105704	1093145	862437	1227391	1256144	1027521	1185683	1200297	1270021	1365512	1038108	1040761	1068760	1200234	1376279	768919	1101803	984925	839598	920656	772238	1201752	1454686	1461244	1431871	1393119	1038108	1042304
C20:3 LPC	415805	397309	820005	789200	819551	834629	560496	547383	499254	420206	561830	671220	503280	467805	577851	537942	497629	386203	428796	368267	407207	496679	417549	381777	363392	501822	415805	423674	581353	494929	381727	322304	529594	484844	626087	666731	550506	480979	442265	465658	335023	595623	505786	480245	473474	539077	507482	536088	415805	438172	508491	407978	509829	297866	436710	442669	355061	361283	307958	502257	455170	453920	411455	409382	415805	405383
C20:1 LPC	68506	66249	184826	183145	165128	168084	109544	80702	98851	71564	119930	96681	76317	71812	74024	85810	63539	62632	84268	71849	77433	126556	73823	74967	62866	77592	68506	69992	81702	91931	62498	43650	83002	72228	84205	90330	84076	71512	63982	70052	58354	75455	68679	49413	89474	52277	87907	74748	68506	68757	60538	77049	75232	51226	69530	62359	52390	62252	55481	72715	122658	113737	108861	105982	68506	71793
C22:6 LPC	218594	222611	394895	376904	408973	401395	308902	171691	203996	154347	215017	209589	261781	225116	282181	271118	323874	237720	262043	288689	209851	239220	215255	232460	255975	255767	218594	219574	253074	215410	181517	150096	229127	256083	336246	296365	260251	279345	222045	191736	159399	240830	279826	204799	209353	256656	237817	228708	218594	232422	282277	244119	293968	195600	275717	241664	230192	212335	184257	268699	204963	210554	185912	186854	218594	211153
C22:5 LPC	85451	81578	191930	188057	210867	204961	161371	88768	116983	82799	104417	121526	116021	100923	103566	111221	97553	69209	91408	95068	69847	91686	77178	75149	77555	93004	85451	84248	103881	94377	65218	58400	96657	86279	99697	108913	78259	94928	88019	75231	67007	93710	96525	101632	78295	110446	89463	93484	85451	88307	103405	98530	99401	56192	93361	77546	77972	65304	57289	74247	108693	104117	92304	92386	85451	79065
C22:4 LPC	65307	66259	141085	134380	162211	160085	116931	77561	94892	62978	91417	84941	94431	72989	75239	82441	73934	52775	59370	61330	55240	63892	50623	51356	49701	68114	65307	64856	65267	56716	49587	42730	66402	59326	76144	80156	54042	61856	67881	74560	58801	76033	79053	59778	73625	62197	71601	77445	65307	66336	80626	71681	82568	47577	74314	65287	61239	68964	51338	69018	81778	80895	73400	74381	65307	68952
C24:0 LPC	109071	103733	122739	129531	120693	124101	123201	126255	151977	97954	130523	151195	120442	118599	120729	133904	105139	102610	111851	109228	102616	124540	108875	98239	98802	132394	109071	104048	134002	142254	100924	85094	122471	104262	114948	130405	126434	116885	122664	119119	100279	120964	102222	100856	110301	77883	118212	111936	109071	111487	120197	110175	124841	81253	134833	115426	109627	102488	82164	120085	94328	101692	104097	104077	109071	106563
C16:1 LPC plasmalogen	17834	17807	53625	54508	47611	49603	42197	16102	22910	19211	30320	26685	20470	21824	21768	25443	19170	19964	20675	20122	19790	28701	15940	23464	18835	17837	17834	18757	26403	25024	14684	12598	20964	16368	20257	26468	20362	17533	16900	21032	14811	20907	15662	13493	23314	16749	18945	19305	17834	20440	15173	20298	23925	15978	18228	20893	14502	16984	14773	23093	34565	33569	33820	32861	17834	18578
C18:1 LPC plasmalogen A	207208	211210	665862	695418	731012	753749	626600	215937	284610	174024	285240	262311	267397	233227	254168	268060	293365	205623	209348	248896	214223	212950	171232	224564	200353	220612	207208	212960	201505	189977	166966	130469	192156	183138	254172	247570	192704	215724	196888	246981	166112	196381	183035	180640	220435	184755	173357	207532	207208	204911	261668	302113	227478	156472	232891	212219	177222	219256	165650	241219	472933	473662	369532	377609	207208	208054
C18:1 LPC plasmalogen B	47205	48465	119004	126316	136481	137197	88735	56532	54959	38627	57369	62906	59592	44312	55608	61564	48630	39282	38176	38056	43414	37120	39661	35245	38019	49415	47205	46781	55522	58289	42910	27863	53088	46609	49198	55213	47813	49267	47986	59177	39408	57843	45394	46789	60465	42363	48560	55068	47205	45864	50964	43551	52254	33492	50947	47942	44112	54119	42803	58837	79933	81834	71101	72456	47205	49019
C16:0 LPE	464421	471658	721415	718755	650274	652119	700079	534944	578718	428918	643790	653121	606684	468523	539686	491122	511650	431290	486200	478018	515768	524788	442731	411413	407465	560215	464421	478060	585116	531638	377316	376669	507974	470880	499717	534033	480612	449040	495167	538909	398478	504946	480611	476957	436219	498610	447402	526843	464421	461462	589664	510943	641903	324359	523422	452896	386932	457669	351159	444978	488514	497697	387220	375999	464421	474161
C18:3 LPE	26918	27521	39866	37725	32240	30936	38808	31879	34391	29450	43152	38176	38622	29062	32565	28047	27375	24462	31811	30525	33552	26635	27162	23115	23995	34699	26918	28647	34795	31531	21130	21101	33182	29650	31769	33509	29023	26572	29831	32286	20077	32242	26185	16956	28243	24226	28824	32857	26918	31233	33209	24714	39449	20963	35077	31494	28281	30484	25419	30049	27668	25369	22714	21274	26918	31277
C18:2 LPE	13885	13498	41227	37128	37323	36922	18786	14634	22999	15228	30640	27814	15891	9471	11973	17061	11297	15292	20771	13963	14747	25282	18565	17821	12186	19033	13885	16232	24368	24786	8846	11901	13850	16782	18388	21339	16196	16982	11083	12505	8294	11676	8858	6825	11994	5128	15158	12645	13885	11874	10362	14604	9930	6869	14941	6986	8260	12542	8899	15363	24514	24316	16351	18607	13885	16019
C18:1 LPE	83354	87849	196545	199127	221622	239934	147615	97003	152091	71745	150849	107759	106125	84890	92882	81796	89586	78102	90058	91609	110018	100659	73995	66190	65550	102604	83354	84820	103676	101288	60822	53595	75680	79867	93856	105535	74080	85328	70215	98033	54860	76240	72437	61850	88709	65582	68969	86625	83354	83195	100412	151363	127242	63494	103521	83324	69416	99292	64987	96386	131675	132225	106478	112640	83354	86601
C18:0 LPE A	1272439	1281405	1598574	1599715	1619330	1712087	1731402	1392233	1542380	1176102	1507072	1601833	1459028	1165602	1309627	1159944	1476896	1253264	1266367	1183842	1486354	1465917	1187271	1172441	1106143	1542388	1272439	1253522	1301610	1241640	1002835	951295	1118663	1346898	1378878	1571278	1352552	1349570	1255613	1449336	1071490	1305959	1175652	1207506	1202238	1085861	1129366	1250484	1272439	1331051	1758089	1593933	1706317	1058363	1601321	1588209	1242568	1485889	1142161	1427167	1248521	1247156	1102773	1133242	1272439	1289794
C18:0 LPE B	117595	112093	308424	312231	291572	299295	192384	178819	204261	130987	189611	234499	152958	139861	164052	135450	120776	85527	105974	96145	93466	123156	107631	97661	85176	142594	117595	113504	172245	176060	100038	93403	127046	110974	118956	133230	115489	95286	142028	144782	102430	158578	117671	117881	140868	109143	139194	141572	117595	118594	108832	80711	126032	72379	112996	84338	93704	86224	77736	99042	201894	199607	181814	182728	117595	115395
C20:4 LPE	532332	484046	653005	643966	708672	742846	640236	513306	658706	519559	634102	603048	571906	529402	613611	580314	465695	547611	609718	555368	501397	576686	438536	480094	489139	548635	532332	555508	563877	589770	520855	420685	532047	448910	544844	586437	518273	524371	609412	618954	483028	628283	597356	544250	589533	526936	615566	728318	532332	590487	657520	756988	746407	572982	636408	627331	571655	453480	391149	544342	511621	556460	477609	536596	532332	554548
C20:0 LPE	300004	298013	563563	564021	588640	580342	436412	428893	412444	317561	405021	431315	375430	378690	400390	361553	306278	242554	262494	261280	279539	276626	254662	249209	251383	318110	300004	298539	411996	432254	310582	263433	364028	267003	310520	308847	287154	254244	368701	355623	285304	396932	312968	329771	373105	299338	369692	369633	300004	308862	255708	240922	287446	224014	274787	275755	252660	236250	233977	279294	397289	390236	387954	398417	300004	287712
C22:6 LPE	75529	54438	67069	91275	95892	91754	75485	51156	50127	45781	64396	58393	65402	57405	88419	85256	61865	95629	101170	89813	83899	70944	53116	74877	74811	68354	75529	72635	87239	89592	63871	57113	81889	73353	86456	97568	91864	76502	100751	95688	79780	92555	94696	86269	75545	83940	81488	108128	75529	95796	124144	101271	109678	97135	110801	98374	84567	59593	53797	88209	64095	75550	63548	77505	75529	82652
C30:0 PC	13241087	13417348	15965621	15586383	16202665	16467416	15219781	12336940	14640928	10943964	13222034	14197835	15460023	14057805	14658282	14474749	15124849	14027210	14603240	14375746	12885435	14903776	12997767	12799381	12361595	15765943	13241087	12172249	13653523	13285426	11175190	10782775	12732281	13821412	16139801	14258252	14774828	14366379	13410992	12862927	11665863	14580202	13382522	12248514	12053444	12328281	12616911	13318062	13241087	12557144	16359227	11816273	14419353	9588273	13910901	12884143	12380163	12813303	11925221	14174015	13820821	14352355	12888355	12769744	13241087	13439406
C32:2 PC	948894	922697	1389852	1343431	1356624	1333189	971126	944708	1184250	959214	1076743	1203127	907120	917634	1080212	978614	1073881	937615	1160657	993483	951369	1141304	1082236	1032574	971686	1301513	948894	948879	1182414	1304833	817500	944223	1002188	1069114	1133083	1083380	1058341	1022790	888534	799261	824971	998879	877956	838338	882681	808978	905325	933330	948894	908185	1038654	787951	993418	726320	889144	861921	814607	782904	854847	970799	1213451	1256630	1127266	1175200	948894	978496
C34:3 PC	5369479	5474992	5639620	5574416	5811720	5836546	5566506	5437281	5912856	5390128	5513218	5587175	5615629	5346315	5380849	5247633	5349434	5615173	5567827	5534097	5279809	5610879	5219110	5208382	5256245	5547165	5369479	5155115	5549452	5759975	5187871	5217947	5453850	5685324	5794459	5833877	5630939	5796195	5180547	5025766	5085562	5462104	5359041	5185694	5059972	5218227	5260832	5307135	5369479	5268686	5509086	5405739	5910200	5089355	5444078	5060579	5241019	5339635	5185682	5193802	5462187	5470469	5280805	5362497	5369479	5371093
C36:2 PC	81613555	81047994	98142556	96433578	103146699	103267224	88203036	96370491	89994486	80198017	89778483	96121863	83444970	81749679	81294946	85776610	87182314	82241221	85613276	77757645	79316363	87289194	83183547	79704556	76599573	91486646	81613555	77697305	84900943	88962644	79369348	75736357	81161561	81569951	82827998	87636603	85577401	84651437	84167749	86579854	76948796	83738653	78587641	81256836	83104301	76059563	82246961	87665697	81613555	80805179	90233952	83236924	84997131	73792024	82088260	79973183	77715584	82295473	77566148	84911987	90609326	91096083	86832856	87220239	81613555	82540840
C34:3 PC plasmalogen	263943	288246	371959	364540	382489	369159	266138	275121	297795	275078	291944	349920	294600	263342	267743	299171	292033	275370	307820	264437	254864	321588	292919	295292	276994	289862	263943	280182	329129	410300	287913	282928	290919	271673	305633	300891	282218	283962	290127	296030	262578	273172	241184	225321	247816	247390	269312	273403	263943	281277	300749	251971	291708	258836	265153	242121	239438	240360	213665	245448	285817	314206	290639	285277	263943	283822
C36:5 PC plasmalogen	11381794	10995252	14678047	14573153	15669657	15496490	13276773	11645135	11012955	10446652	11235292	12831184	12672429	11924386	13405454	14088224	11573970	12346834	11718125	11505771	9527785	10968322	9800488	10673584	10800214	10819234	11381794	11499606	13410702	13069580	11834022	10836469	12757659	10795404	11519495	12328583	11558513	11402078	13402878	12963774	11565091	13678746	12888890	12235557	12490414	12899324	12451178	13375220	11381794	11639286	12185022	11865186	12903268	9521535	10695121	10540868	10567022	10810569	9453347	11706424	12410335	12447576	12490995	12410798	11381794	11451926
C36:3 PE plasmalogen	7235807	7089940	9498459	8952321	9566092	9589132	8164727	8186806	8405939	7069795	8341153	8331566	8018573	7293176	7222757	7706603	7182131	6973043	7580878	6751164	7238948	7664893	7629748	6941489	6690505	7641975	7235807	7337005	7089677	7199536	7147549	6670509	7420647	7095482	7446021	7683906	7268934	7510628	7517764	7522489	7025452	7064626	6885718	6718258	6845136	5953861	7200052	7246318	7235807	7150493	7917390	7289464	7912831	6054722	7698804	7070369	6737012	6797276	6340622	6582321	8989256	8770580	8270695	8105997	7235807	7038710
C38:7 PC plasmalogen	1448781	1386440	2353635	2273280	2629592	2532676	1775242	1327340	1313491	1141620	1242385	1398150	1519087	1475111	1729242	1836540	1619431	1586089	1470111	1512825	1247551	1383598	1187477	1417094	1418411	1384034	1448781	1451987	1777269	1753252	1442897	1318125	1735178	1515074	1713716	1703293	1601194	1496156	1744737	1679960	1491031	1718154	1650534	1490712	1462924	1639809	1579375	1639703	1448781	1438169	1640031	1417536	1672608	1259482	1437941	1364402	1452422	1418758	1122893	1485415	1790844	1804851	1875950	1835775	1448781	1481319
C38:6 PC plasmalogen	6838052	6413941	11491321	11101964	12680219	12451165	8273407	6985516	6649619	5802442	6654938	7264582	7472975	6906807	8317922	8804055	7465274	7139965	6685531	6910477	6052812	6468526	5891057	6316588	6395444	6882597	6838052	6966941	7906770	7764614	6972358	6202844	7676670	6777668	7559050	7384129	6942324	6636813	8008417	7927070	6914421	7880735	7884369	7248569	7405339	7323681	7339270	7819016	6838052	6931119	7446606	6659429	7549481	5615322	6683376	6304719	6363223	6425569	5444342	6994884	9336752	9282772	9593098	9415092	6838052	6889504
C34:2 PE	3434700	3491281	3767570	3683727	3737018	3824401	3965025	3910725	3909690	3024916	3750435	3999387	3952800	3533588	3824547	3798592	3632433	3442071	3759817	3133059	3683320	3753144	3475012	3369408	3196995	4234823	3434700	3652978	4377719	4258627	3816002	3323339	3620120	3494420	3786566	3902269	3717613	3568506	3535338	3562684	2992556	3481896	3081820	3425938	3438250	3008401	3303695	3385508	3434700	3299507	3606926	3400242	3865035	2490000	3376485	2941868	2995835	3052043	2863898	3338804	3423573	3451298	3242444	3308911	3434700	3485426
C34:0 PE	5040560	5166369	6936139	7048298	7687317	7831900	6130161	5938764	6761509	4729968	5400890	5709398	5747642	5481916	5623743	5593556	4993767	4600798	4739172	4335231	4311681	5295701	4867684	4059441	3880549	6019475	5040560	4631984	5931890	6038606	5091578	4297011	5127729	4773411	5217288	5198406	5063929	4576669	5330391	5636354	4599607	5598403	4982167	4797591	5168183	4473849	5375381	5307703	5040560	4911620	4614190	4017521	5508040	4207128	4735337	3697909	4890756	4737114	4183879	4686612	6347998	6610276	6773538	6543932	5040560	4904256
C36:4 PE	8590410	8360651	9260080	9040182	9370279	9417574	9711531	8977296	9256716	7605467	9287349	8769372	9595404	8484964	9668674	9389379	8754306	8453775	8267884	7501600	8439552	8310870	7904906	7626573	7585005	9577722	8590410	8825621	9628464	8672233	8424749	7917653	9065314	8013161	9074266	8744428	8569631	8009724	9320659	9301995	8217662	9214496	8873334	9465189	9145767	9354118	8917760	9541097	8590410	8344343	9747702	8673421	9398143	6643801	9026900	7992646	7514916	7778580	7108391	8404186	8271764	8090869	7895177	7596287	8590410	8582152
C36:2 PE	5546729	5333854	5358812	5283271	5531480	5554186	5652767	6331164	6042069	5272456	5928757	6349101	5700046	5145267	5742487	5845702	5870934	5811526	6100410	5420339	6161069	6180862	5985384	5532826	5319408	6710560	5546729	5915170	6069182	5990786	5857616	5409918	5554459	5614479	6026668	6028387	6046472	6019795	5503468	5618770	4706500	5111488	4760343	4997639	5247723	4495118	5452405	4986403	5546729	5201949	5960812	5393293	6016527	4556580	5816593	5218359	5037791	5321041	5232499	5229677	5625834	5608569	5520156	5328852	5546729	5632515
C38:6 PE	1744634	1788525	2166044	2103269	2249698	2274494	1948594	1885727	1734966	1565569	1781998	1732750	1915813	1821801	1925291	1919850	1847204	1722014	1738322	1605497	1794951	1664141	1546766	1611831	1569885	1783456	1744634	1728946	2081576	1948871	1772044	1651537	1834867	1707659	1899721	1878715	1838330	1736511	1822394	1796992	1620041	1835740	1763164	1958601	1788678	1896659	1760248	1911057	1744634	1756960	1983850	1807647	1975759	1367911	1765510	1628903	1546838	1549570	1416867	1721409	1773639	1707233	1721487	1691794	1744634	1766440
C38:4 PE	23345457	24009223	24655098	24199247	25890420	26800006	26915668	26205672	25003051	22896357	25050816	25348998	25679619	24755861	25329693	25029832	24913269	23114589	22185059	21906975	22653225	22340567	21658094	22032855	21557020	24190456	23345457	23523664	22538941	21802803	22863560	21468765	22548183	22561219	24861735	24263803	23579172	22797998	24836640	25681609	22109806	23631275	23533351	24559088	24516750	23391973	23424182	24487546	23345457	23793642	26599949	24193055	25930024	19785896	24433694	23835855	23516672	23718661	21600736	24042947	22821690	21921954	22433710	22102571	23345457	23039853
C40:6 PE	2255373	2291045	2348214	2404370	2589668	2779112	2319339	2207490	2259320	1863210	2168910	2142134	2391068	2341915	2514851	2387727	2661992	2449220	2309458	2442843	2456398	2381466	2258053	2470268	2342471	2594913	2255373	2287973	2519090	2372321	2408684	2257657	2340280	2435129	2489664	2657816	2608821	2344623	2396423	2347964	2094102	2214813	2369291	2556027	2228917	2299742	2205928	2292183	2255373	2357359	2590051	2236043	2415289	1936008	2305579	2450635	2225774	2187162	1903148	2248628	2254655	2198925	2208688	2266287	2255373	2310920
C34:3 PE plasmalogen	557343	509317	622723	597564	632819	636659	581290	589104	592523	496120	585476	607481	607507	511248	585641	597542	569941	533609	595301	515869	555962	569406	559129	515341	505971	610080	557343	574609	639527	617145	583371	535257	602826	537295	587237	581577	568463	559918	584253	578511	545143	561745	509771	552341	551917	493612	567692	544770	557343	522243	598508	546785	586615	439187	580069	525487	479864	515526	501969	526893	636333	635811	591399	590674	557343	559423
C34:2 PE plasmalogen	1617378	1540406	1442880	1437478	1433377	1451157	1601533	1521619	1736169	1457461	1716222	1608399	1754459	1546304	1586631	1645577	1607457	1675396	1731821	1657315	1629931	1826228	1652784	1573839	1576615	1707020	1617378	1654907	1533609	1392649	1499677	1481028	1533446	1602301	1615777	1645237	1652166	1653369	1643482	1686380	1634399	1573966	1568031	1599629	1467113	1472098	1639263	1608336	1617378	1575594	1740803	1711860	1801069	1567153	1795791	1764362	1620262	1699610	1615478	1511990	1561298	1533222	1470944	1431021	1617378	1647049
C36:5 PE plasmalogen	17477992	17639590	19233645	19054653	20059145	20483076	20070458	18364821	18027525	16010051	17789615	18467857	19384285	18500850	19932585	19569624	18565961	18080136	17641579	17254212	16308181	17394183	16037795	17251150	16459571	17389623	17477992	17493999	19103475	18403881	17419034	17285846	18697315	16405827	18324630	18754242	17793782	17025012	18682737	18799756	16634495	18819873	18024068	18421126	18006342	18334650	17862646	18771245	17477992	17728760	19068208	17735218	19042329	13943606	16592458	17156169	16063367	16668918	15028948	17864085	17494401	16913409	16583174	16653336	17477992	17243855
C38:7 PE plasmalogen	5165450	5235963	6197518	6195575	6883894	6789099	5689713	5063910	4914965	4228765	4924368	4889666	5666597	5134068	6014166	5721355	5802168	5658138	5316384	5343153	5259119	5152036	4858643	5198979	5154656	5436163	5165450	5273895	6120908	5803411	5287401	4998837	5544561	5321854	5908510	6161120	6025811	5541651	5224956	5211076	4863974	5431477	5473730	5438699	5073150	5568146	5141345	5419319	5165450	5124206	5735199	5196121	5386478	4105035	5182443	5049741	4793190	4780190	4240008	5383640	5124566	5050249	5100968	5238174	5165450	5034190
C38:6 PE plasmalogen	13445751	13636822	18422703	18071509	19441753	19184986	15826925	14763566	14597335	12955555	14562368	15090101	15667174	14169402	15570353	15372414	14213078	13944827	13747294	13542186	12724398	13650433	12682204	13114304	12487450	14222245	13445751	13632655	15282517	15089009	13233148	13028158	14244099	13067987	14246617	14756678	13996868	13050405	14283847	14090544	12659931	14975901	14298056	14305228	13749184	13994372	13934041	14602972	13445751	13505113	14301970	13365049	14054215	10535053	13072376	12891730	11761824	12093409	10768430	12991390	15181805	15042342	14735451	14823725	13445751	13191335
C38:5 PE plasmalogen	22620602	22893436	24878947	24488258	26318966	26011864	25968294	25193564	24397762	22667764	24298433	26178886	25331895	24182483	25474963	25593217	23085248	22232307	21804727	21835082	21500766	22918690	22385380	21857500	21253186	22777867	22620602	23252212	22852378	21879658	22240443	21709454	24006072	21456433	22580371	24142699	22985052	22151363	24498479	25139219	22094836	24868841	23858688	24542314	23511248	23580393	24304825	25358962	22620602	22779717	24328662	22766103	24529319	18877282	23339026	22890891	21592151	22146042	20475701	22223846	22894533	22727689	22084707	22256636	22620602	22486596
C40:7 PE plasmalogen	5076096	5221782	6362268	6267944	7068731	6808448	6032704	5365840	5008639	4712917	4977822	5262094	5774409	5434983	5888396	5838909	5371173	5093208	4839975	4938173	5143875	5054484	4894350	4952754	4799915	5285005	5076096	5173906	5665441	5569812	5272476	4975335	5586600	5132278	5488165	5691068	5542058	5379660	5396396	5352860	4998536	5732770	5489334	5606063	5175760	5628269	5249501	5615281	5076096	5076141	5374915	4953808	5111470	3997172	5259846	4850955	4778206	4720023	4249841	4869613	5211683	5214963	5269569	5264158	5076096	5023677
C14:0 SM	80783	77355	245699	240574	177577	169782	127747	142905	194410	118762	151888	185651	112289	160960	121986	178674	44537	64760	112939	102000	57300	40695	60454	57774	59581	78556	80783	92032	138806	156024	93470	71545	137636	73128	68797	83066	114236	60327	119680	79875	126182	142836	73950	69879	70489	76967	127653	104112	80783	85274	25126	51947	66545	35950	61915	58882	47894	39227	25076	93448	86970	102428	148690	146063	80783	66000
C16:1 SM	1766826	1810617	3581471	3693472	3751483	3953412	2470200	2477643	2327000	1702863	2359484	2440322	2314413	2182816	2397969	2444393	1754096	1785373	1110966	1612953	1601409	1484315	1399565	1367474	1453532	1705937	1766826	1710122	2541031	2311949	2034758	1678023	2198753	1566617	1756743	1716886	1857215	1453817	2187898	2361242	1853179	2373971	2025857	2135841	2201780	2026486	2159843	2297850	1766826	1781551	1836434	1888248	1991035	990542	1804130	1446648	1380701	1800598	1196441	1886563	2380883	2435246	2614895	2598042	1766826	1800467
C16:0 SM	44161827	45543894	49370612	50297621	50768444	53321164	64639363	60354011	62922158	48190092	59077574	61064047	59210803	55644011	56624349	58096045	44152339	44718531	25154917	42378870	39233614	44165184	35829827	34526119	35719706	38596660	44161827	44493783	51348484	47827764	47693421	42210840	47913699	38067006	40470183	38850091	43129342	39436123	53267679	61332061	47122471	55220908	53234520	53936044	49217088	49175238	53164930	57032475	44161827	44912812	49719145	50027277	54615302	30334948	47417731	40591695	39236238	49747381	33234080	39785315	41434924	41215825	41234236	41870131	44161827	45242256
C18:1 SM	1283181	1307991	1912581	1918387	2182662	2194109	1952899	1660955	1361460	1082557	1385562	1476863	1585966	1336424	1622273	1698698	1638757	1493160	1525155	1285476	1196519	1322822	1204305	1149367	1134670	1472479	1283181	1332895	1392900	1189219	1279522	985588	1401165	1296681	1497119	1692080	1469671	1452461	1451745	1750186	1084161	1502435	1431087	1456084	1521610	1362667	1556288	1578531	1283181	1323313	1897842	1636140	1674037	822699	1418795	1274874	1190612	1425683	1011990	1433878	1450006	1417665	1393802	1409114	1283181	1325097
C18:0 SM	7414648	7494195	5986638	6081582	6575280	6615821	9999977	9287781	8845106	7772535	8265564	8835068	8962980	8076000	7902660	8847202	7645263	8001659	10525812	8163441	6452011	8724285	6910663	6417477	6242029	6746985	7414648	7517516	5951809	5503603	6999769	5676288	6701320	7056526	6870473	8760283	7582754	8710318	8095389	9748277	6724011	7892020	8032020	7518598	6829304	6956551	9088469	8938586	7414648	7589748	10093626	9642358	9652043	6576468	8314686	7574774	7746941	8681408	6503463	6373142	5577512	5468759	5464328	5553149	7414648	7566922
C20:0 SM	2058846	2036265	1582124	1700639	1673106	1769169	2353971	2279439	2343488	2022262	2150129	2310209	2234296	2216264	2006994	2339995	1957170	2221860	2923743	2229439	1818564	2478101	1908527	2006166	1859844	1915665	2058846	2072177	1735079	1631354	2243500	1830646	1729842	1916510	1864993	2305619	1972594	2445065	2220626	2090621	1778572	2005028	1964228	1732040	1694757	1489681	2272369	2051551	2058846	2119499	2628162	2280478	2500659	2115589	1948874	2024514	2154922	2025990	1771142	1771696	1626221	1636160	1527596	1581710	2058846	2163430
C22:0 SM	18695770	19035084	11964783	12434408	13312095	13613081	16121430	17065946	17544970	15778346	15950608	16331364	16006235	16479678	16793315	18502292	16807667	18596331	24828249	19292583	16588448	19919922	18980839	18389241	17587661	16465203	18695770	19329090	16050215	14745207	18608465	17219538	15908183	16383893	15939241	18978638	18189651	20084767	20480121	16843048	16633382	16844058	17986413	16349451	15208215	15628523	19731642	18216021	18695770	19717591	22743057	20753301	20169701	19269379	17222340	17329034	19845797	17777646	18150510	17197303	14832532	13993041	14594801	13890207	18695770	20086809
sphingosine	2729260	2558020	4560859	4562702	4800848	4797647	3874716	3196186	3640323	2607016	3427763	3319327	3026670	2826962	3172899	3353500	3065031	2545398	2769431	2547590	2327562	2755141	2465234	2336785	2372478	3106410	2729260	2673325	3251742	3144753	2639620	2207722	2848937	2380983	2940153	3105811	2670244	2672193	3344897	3521336	2529571	3620024	2943391	2862795	2973511	2701257	2515755	3063153	2729260	2676233	3289272	3598133	2782711	1793376	2962218	2554165	2273016	2577416	1945883	2620426	3804449	3637242	3130558	3147928	2729260	2784816
phytosphingosine	1217469	1174440	1295646	1322975	1338797	1368845	1440888	1675626	1093447	1399755	1156178	1371868	1312612	1404488	1593171	1829334	1060227	972386	997412	764174	824162	1195304	1205568	954529	1048167	894357	1217469	1229675	1905496	1886984	1509425	1190002	1710255	996543	1054268	1032276	1456949	946558	1790505	1833146	1726063	2097221	1728833	1308106	1484451	1362682	1327718	1556936	1217469	1285584	1095964	1090313	1149879	695911	1539578	974808	1049610	979741	751359	892033	1108443	1088712	1000777	992988	1217469	1179031
sphinganine	553941	506986	552634	554668	775627	770512	634632	605523	830918	524140	719511	617515	514669	477807	539324	571620	571442	535239	1330917	588475	525389	614749	507918	507800	504517	647504	553941	566355	520113	547469	485664	360814	470004	536712	631322	836827	522061	552872	591474	654907	455519	559331	563341	514332	519572	477513	439299	608220	553941	537308	669327	1003616	620091	409601	629833	628850	486937	558490	441158	447759	505703	477576	532977	527287	553941	553168
C16:0 Ceramide (d18:1)	1707708	1681639	1232432	1121444	1474156	1404210	2263168	1952875	2312590	1561025	1621832	1581795	2161443	2033892	1818975	1567442	1654557	1469306	837180	1994133	1721513	1660538	1377334	1489280	1551478	1349926	1707708	1537762	1259821	1246099	1691950	1316131	1564606	1732454	1190889	1233035	1516193	1890926	1795764	1975171	1817276	1564489	1584929	1359168	1401892	1331341	1447529	1961342	1707708	1709841	2137505	1822596	2332174	1552006	2266024	2335446	1871901	1895997	1522282	1032641	982970	1048538	1125388	1069516	1707708	1704364
C24:1 ceramide (d18:1)	4320081	3902313	2607104	2910401	3154778	3153459	4365589	4315765	5929499	3796800	3911700	4047896	5936119	4675475	4101206	4173077	4569683	3397484	4160467	4447186	4085318	3652521	2972266	4109986	4346380	4020324	4320081	3687310	3268857	2940244	3933781	2796514	3831751	5219185	3189088	3933652	3986496	4400586	4852742	5182811	4606378	3532089	4458579	3599657	3440162	3114321	4183897	4703764	4320081	4658888	5811295	4812940	6003124	4344501	6552273	6079445	4900892	4520002	4195740	3171880	2794421	2669970	2704606	2730654	4320081	5606561
cAMP	3428	3751	12659	13746	13691	12608	3715	3709	2236	5867	1074	2052	5524	3403	4267	4640	1859	5450	681	499	3188	1049	2993	1435	2504	1760	3428	3773	6249	5790	5878	1903	4917	3940	4033	3560	3691	3995	3694	4445	2842	7010	5314	3615	3978	6119	2781	4729	3428	3110	3624	nan	3338	1813	4343	3826	3789	6158	3186	5995	5477	5525	7712	6953	3428	3245
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	formula	mz	neutral_mass	refmet_name	rt
phenylalanine-d8	C9H3D8NO2	174.135	173.1292	phenylalanine-d8 [iSTD]	6.71
valine-d8	C5H3D8NO2	126.1363	125.1292	valine-d8 [iSTD]	7.42
1-methyladenosine	C11H15N5O4	282.1182	281.1124	1-Methyladenosine	7.66
1-methylguanosine	C11H15N5O5	298.1123	297.1073	1-Methylguanosine	5.01
1-methylhistamine	C6H11N3	126.1024	125.0953	1-Methylhistamine	9.6
1-methylnicotinamide	C7H9N2O	137.0703	137.0715	1-Methyl nicotinamide	8.22
21-deoxycortisol	C21H30O4	347.2198	346.2144	21-Deoxycortisol	2.02
2'-deoxyadenosine	C10H13N5O3	252.1077	251.1018	Deoxyadenosine	5.2
2'-deoxycytidine	C9H13N3O4	228.096	227.0906	Deoxycytidine	5.99
3-methylhistidine	C7H11N3O2	170.0911	169.0851	3-Methylhistidine	9.84
4-guanidinobutanoate	C5H11N3O2	146.0916	145.0851	4-Guanidinobutanoic acid	7.25
5-hydroxytryptophol	C10H11NO2	178.0847	177.079	5-Hydroxytryptophol	1.83
5-methylcytidine	C10H15N3O5	258.1073	257.1012	5-Methylcytidine	6.01
5-methylcytosine	C5H7N3O	126.0658	125.0589	5-Methylcytosine	6.1
7-methylguanine	C6H7N5O	166.0711	165.0651	7-Methylguanine	5.76
acetylcholine	C7H16NO2	146.1169	146.1181	Acetylcholine	7.73
acisoga	C9H16N2O2	185.1269	184.121178	Acisoga	5.6
adenosine	C10H13N5O4	268.1027	267.0968	Adenosine	5.01
ADMA	C8H18N4O2	203.1484	202.143	Dimethylarginine	9.75
agmatine	C5H14N4	131.1287	130.1218	Agmatine	9.12
ala-ala	C6H12N2O3	161.0909	160.084793	Ala-Ala	8.05
alanine	C3H7NO2	90.0548	89.0477	Alanine	7.81
allantoin	C4H6N4O3	159.0502	158.044	Allantoin	3.65
alpha-glycerophosphocholine	C8H20NO6P	258.1089	257.1028	sn-Glycero-3-phosphocholine	10.45
anserine	C10H16N4O3	241.1279	240.1222	Anserine	10.5
arachidoyl ethanolamide	C22H45NO2	356.3504	355.345	Eicosanoyl-EA	1.99
arginine	C6H14N4O2	175.1175	174.1117	Arginine	9.14
asparagine	C4H8N2O3	133.0603	132.0535	Asparagine	7.92
aspartate	C4H7NO4	134.0443	133.0375	Aspartic acid	7.97
beta-alanine	C3H7NO2	90.0548	89.0477	beta-Alanine	8.03
beta-guanidinopropionate	C4H9N3O2	132.0763	131.0695	3-Guanidinopropanoic acid	7.48
betaine	C5H11NO2	118.0861	117.079	Betaine	8.97
bilirubin	C33H36N4O6	585.2675	584.2635	Bilirubin	1.68
biliverdin	C33H34N4O6	583.252	582.2478	Biliverdin	1.99
biopterin	C9H11N5O3	238.0918	237.0862	Biopterin	5.17
butyrobetaine	C7H15NO2	146.1167	145.1103	3-Dehydroxycarnitine	8.8
N-acetylgalactosamine	C8H15NO6	222.0955	221.0899	N-Acetyl-D-galactosamine	5.53
carnitine	C7H15NO3	162.1112	161.1052	Carnitine	8.86
C2 carnitine	C9H17NO4	204.1213	203.1158	CAR(2:0)	8.7
C3 carnitine	C10H19NO4	218.137	217.1314	CAR(3:0)	8.33
C3-DC carnitine	C10H17NO6	248.1114	247.1056	CAR(DC3:0)	9.52
C3-DC-CH3 carnitine	C11H19NO6	262.1275	261.1212	CAR(DC3:0(2Me))	8.62
C4 carnitine	C11H21NO4	232.1527	231.1471	CAR(4:0)	8.01
C4-OH carnitine	C11H21NO5	248.1478	247.142	CAR(4:0(OH))	8.89
C5 carnitine	C12H23NO4	246.1686	245.1627	CAR(5:0)	7.78
C5:1 carnitine	C12H21NO4	244.1531	243.1471	CAR(5:1)	7.86
C6 carnitine	C13H25NO4	260.1844	259.1784	CAR(6:0)	7.56
C7 carnitine	C14H27NO4	274.2	273.194	CAR(7:0)	7.45
C8 carnitine	C15H29NO4	288.2155	287.2097	CAR(8:0)	7.31
C10 carnitine	C17H33NO4	316.2464	315.241	CAR(10:0)	7.09
C12 carnitine	C19H37NO4	344.2774	343.2723	CAR(12:0)	6.89
C12:1 carnitine	C19H35NO4	342.2618	341.2566	CAR(12:1)	6.95
C14 carnitine	C21H41NO4	372.3086	371.3036	CAR(14:0)	6.74
C14:1 carnitine	C21H39NO4	370.2931	369.2879	CAR(14:1)	6.74
C14:2 carnitine	C21H37NO4	368.2774	367.2723	CAR(14:2)	6.8
C16 carnitine	C23H45NO4	400.3398	399.3349	CAR(16:0)	6.62
C16-OH carnitine	C23H45NO5	416.3348	415.3298	CAR(16:0(OH))	7.07
C18 carnitine	C25H49NO4	428.3712	427.3662	CAR(18:0)	6.51
C18:1 carnitine	C25H47NO4	426.3555	425.3505	CAR(18:1)	6.53
C18:1-OH carnitine	C25H47NO5	442.3505	441.3454	CAR(18:1(OH))	6.98
C18:2 carnitine	C25H45NO4	424.3398	423.3349	CAR(18:2)	6.59
C20 carnitine	C27H53NO4	456.4026	455.3975	CAR(20:0)	6.41
C20:4 carnitine	C31H54NO4	448.3397	447.3349	CAR(20:4)	6.48
C26 carnitine	C33H65NO4	540.4971	539.4914	CAR(26:0)	6.2
cadaverine	C5H14N2	103.1228	102.1157	Cadaverine	9.31
C-glycosyltryptophan	C17H22N2O7	367.1477	366.1427	C-Glycosyltryptophan	7.1
choline	C5H14NO	104.1068	104.1075	Choline	8.26
citrulline	C6H13N3O3	176.1015	175.0957	Citrulline	8.35
cotinine N-oxide	C10H12N2O2	193.0954	192.0899	Cotinine N-oxide	6.69
creatine	C4H9N3O2	132.0763	131.0695	Creatine	8.33
creatinine	C4H7N3O	114.0661	113.0589	Creatinine	6.45
cyclohexylamine	C6H13N	100.1118	99.1048	Cyclohexylamine	6.38
cystine	C6H12N2O4S2	241.0295	240.023848	Cystine	9.07
cytidine	C9H13N3O5	244.0914	243.0855	Cytidine	5.87
dimethylglycine	C4H9NO2	104.0704	103.0633	Dimethylglycine	8.54
ectoine	C6H10N2O2	143.0807	142.0742	Ectoine	8.93
GABA	C4H9NO2	104.0703	103.0633	gamma-Aminobutyric acid	7.64
glutamate	C5H9NO4	148.0595	147.0532	Glutamic acid	7.65
glutamine	C5H10N2O3	147.0755	146.0691	Glutamine	8.04
glutathione reduced	C10H17N3O6S	308.0895	307.0838	Glutathione	7.9
glycine	C2H5NO2	76.0391	75.032	Glycine	7.93
guanidinoacetate	C3H7N3O2	118.061	117.0538	Guanidoacetic acid	7.86
guanosine	C10H13N5O5	284.0976	283.0917	Guanosine	5.29
hippurate	C9H9NO3	180.0643	179.0582	Hippuric acid	2.66
histamine	C5H9N3	112.0868	111.0796	Histamine	9.18
histidine	C6H9N3O2	156.0757	155.0695	Histidine	9.25
homoarginine	C7H16N4O2	189.1328	188.1273	Homoarginine	9.21
homocitrulline	C7H15N3O3	190.1169	189.1113	Homocitrulline	8.34
hydroxyproline	C5H9NO3	132.0651	131.0582	Hydroxyproline	7.89
hypotaurine	C2H7NO2S	110.0269	109.0198	Hypotaurine	8
imidazole propionate	C6H8N2O2	141.0651	140.058578	Imidazolepropionic acid	7.45
imidazoleacetate	C5H6N2O2	127.05	126.0429	Imidazoleacetic acid	8.09
inosine	C10H12N4O5	269.0868	268.0808	Inosine	4.91
isoleucine	C6H13NO2	132.1014	131.0946	Isoleucine	7.09
kynurenate	C10H7NO3	190.0482	189.0426	Kynurenic acid	5.26
L-alpha-glutamyl-L-Lysine	C11H21N3O5	276.154	275.148122	Glu-Lys	9.7
leucine	C6H13NO2	132.1014	131.0946	Leucine	6.96
leu-gly	C8H16N2O3	189.1217	188.116093	Leu-Gly	7.48
linoleoyl ethanolamide	C20H37NO2	324.2879	323.2824	Linoleoyl-EA	1.99
lysine	C6H14N2O2	147.1119	146.1055	Lysine	9.38
methionine	C5H11NO2S	150.0574	149.0511	Methionine	7.04
methionine sulfoxide	C5H11NO3S	166.052	165.046	Methionine sulfoxide	8.65
methyl N-methylanthranilate	C9H11NO2	166.085	165.078979	Methyl N-methylanthranilate	1.98
methylguanidine	C2H7N3	74.071	73.064	Methylguanidine	6.76
methylimidazoleacetate	C6H8N2O2	141.0652	140.0586	Methylimidazoleacetic acid	8.91
methylthioadenosine	C11H15N5O3S	298.0952	297.0896	5'-Methylthioadenosine	4.24
myristoleate	C14H26O2	227.1986	226.1933	Myristoleic acid	1.67
N1-acetylspermidine	C9H21N3O	188.1741	187.1685	N1-Acetylspermidine	9.73
N1-methyl-2-pyridone-5-carboxamide	C7H8N2O2	153.0649	152.0586	N1-Methyl-2-pyridone-5-carboxamide	4.3
N4-acetylcytidine	C11H15N3O6	286.1015	285.0961	N4-Acetylcytidine	4.24
N6,N6,N6-trimethyllysine	C9H20N2O2	189.158	188.1525	N-6-Trimethyllysine	11.24
N6,N6-dimethyllysine	C8H18N2O2	175.1427	174.136828	N(6),N(6)-Dimethyl-lysine	10.26
N6-acetyllysine	C8H16N2O3	189.1216	188.1161	N6-Acetyllysine	8.37
N6-methyllysine	C7H16N2O2	161.1274	160.1212	N(6)-Methyllysine	9.68
N-acetylalanine	C5H9NO3	132.065	131.0582	N-Acetylalanine	4
N-acetylaspartate	C6H9NO5	176.0538	175.0481	N-Acetylaspartic acid	4.64
N-acetylglutamine	C7H12N2O4	189.0851	188.0797	N-Acetylglutamine	7.1
N-acetylhistamine	C7H11N3O	154.0966	153.0902	N-Acetylhistamine	7.71
N-acetylhistidine	C8H11N3O3	198.083	197.08	N-Acetylhistidine	8.37
N-acetylleucine	C8H15NO3	174.1111	173.1052	N-Acetylleucine	2.9
N-acetylmethionine	C7H13NO3S	192.0671	191.0616	N-Acetylmethionine	3.65
N-acetylornithine	C7H14N2O3	175.1063	174.1004	N-Acetylornithine	8.41
N-acetylputrescine	C6H14N2O	131.1175	130.1106	N-Acetylputrescine	7.9
N-acetylserotonin	C12H14N2O2	219.111	218.1055	N-Acetylserotonin	2.6
N-alpha-acetylarginine	C8H16N4O3	217.1278	216.1222	N-Acetylarginine	8.18
N-carbamoyl-beta-alanine	C4H8N2O3	133.0604	132.0535	Ureidopropionic acid	4.17
niacinamide	C6H6N2O	123.0552	122.048	Niacinamide	3.83
N-lauroylglycine	C14H27NO3	258.2051	257.199094	N-Lauroylglycine	2.4
N-methylproline	C6H11NO2	130.0858	129.078979	N-Methyl-proline	8.62
NMMA	C7H16N4O2	189.1329	188.1273	Targinine	9.36
ornithine	C5H12N2O2	133.0967	132.0899	Ornithine	9.27
pantothenate	C9H17NO5	220.1162	219.1107	Pantothenic acid	3.14
pantothenol	C9H19NO4	206.1368	205.1314	Pantothenol	3.9
phenylalanine	C9H11NO2	166.0849	165.079	Phenylalanine	6.7
phosphocholine	C5H14NO4P	184.0716	183.066	Choline phosphate	10.96
pipecolate	C6H11NO2	130.0859	129.079	Pipecolic acid	7.98
pro-gly	C7H12N2O3	173.0908	172.084793	Pro-Gly	8.5
proline	C5H9NO2	116.0705	115.0633	Proline	8.11
proline-betaine	C7H13NO2	144.1011	143.0946	Proline betaine	9.23
putrescine	C4H12N2	89.1071	88.1	Putrescine	9.35
ribothymidine	C10H14N2O6	259.0921	258.0852	Ribothymidine	2.42
S-adenosylhomocysteine	C14H20N6O5S	385.1265	384.1216	S-Adenosylhomocysteine	8.13
S-adenosylmethionine	C15H23N6O5S	399.1423	399.1451	S-Adenosylmethionine	10.15
SDMA	C8H18N4O2	203.1485	202.143	Symmetric dimethyl-arginine	9.64
serine	C3H7NO3	106.0497	105.0426	Serine	7.68
serotonin	C10H12N2O	177.1008	176.095	Serotonin	6.24
S-methyl-L-cysteine-S-oxide	C4H9NO3S	152.0377	151.030316	S-Methylcysteine S-oxide	8.56
spermidine	C7H19N3	146.1643	145.1579	Spermidine	11.17
taurine	C2H7NO3S	126.0217	125.0147	Taurine	6.13
thiamine	C12H17N4OS	265.1106	265.1123	Thiamine	9.67
threonine	C4H9NO3	120.0655	119.0582	Threonine	7.62
thymidine	C10H14N2O5	243.0961	242.0903	Thymidine	3.05
trigonelline	C7H7NO2	138.0543	137.0477	Trigonelline	8.89
trimethylamine-N-oxide	C3H9NO	76.0755	75.0684	Trimethylamine N-oxide	8.13
trimethylbenzene	C9H12	121.1012	120.0939	Trimethylbenzene	1.75
tryptophan	C11H12N2O2	205.0952	204.0899	Tryptophan	6.49
tyrosine	C9H11NO3	182.0795	181.0739	Tyrosine	6.81
urate	C5H4N4O3	169.0344	168.0283	Uric acid	4.22
urocanate	C6H6N2O2	139.0495	138.0429	Urocanic acid	4.54
valine	C5H11NO2	118.0861	117.079	Valine	7.41
warfarin	C19H16O4	309.1087	308.1049	Warfarin	1.71
xanthine	C5H4N4O2	153.0397	152.0334	Xanthine	3.8
xanthosine	C10H12N4O6	285.0813	284.0757	Xanthosine	4.39
C14:0 LPC	C22H46NO7P	468.3063	467.3012	LPC(14:0)	7.83
C16:1 LPC	C24H48NO7P	494.3221	493.3168	LPC(16:1)	7.76
C16:0 LPC	C24H50NO7P	496.3376	495.3325	LPC(0:0/16:0)	7.7
C18:3 LPC	C26H48NO7P	518.3197	517.3168	LPC(18:3)	7.71
C18:2 LPC	C26H50NO7P	520.3379	519.3325	LPC(0:0/18:2)	7.69
C18:1 LPC A	C26H52NO7P	522.3537	521.3481	LPC(18:1)_hp_a	7.64
C18:1 LPC B	C26H52NO7P	522.3539	521.3481	LPC(18:1)_hp_b	7.5
C18:0 LPC	C26H54NO7P	524.3692	523.3638	LPC(18:0)	7.58
C20:4 LPC A	C28H50NO7P	544.3381	543.3325	LPC(20:4)_hp_a	7.62
C20:4 LPC B	C28H50NO7P	544.3383	543.3325	LPC(20:4)_hp_b	7.48
C20:3 LPC	C28H52NO7P	546.3518	545.3481	LPC(20:3)	7.44
C20:1 LPC	C28H56NO7P	550.3854	549.3794	LPC(20:1)	7.51
C22:6 LPC	C30H50NO7P	568.3366	567.3325	LPC(22:6)	7.44
C22:5 LPC	C30H52NO7P	570.3524	569.3481	LPC(22:5)	7.44
C22:4 LPC	C30H54NO7P	572.3678	571.3638	LPC(22:4)	7.41
C24:0 LPC	C32H66NO7P	608.4621	607.4577	LPC(24:0)	7.26
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	508.3741	507.3689	LPC(P-18:0)/LPC(O-18:1)_hp_a	7.74
C18:1 LPC plasmalogen B	C26H54NO6P	508.3743	507.3689	LPC(P-18:0)/LPC(O-18:1)_hp_b	7.41
C16:0 LPE	C21H44NO7P	454.2907	453.2855	LPE(16:0)	6.27
C18:3 LPE	C23H42NO7P	476.2733	475.2699	LPE(18:3)	6.27
C18:2 LPE	C23H44NO7P	478.291	477.2855	LPE(18:2)	6.25
C18:1 LPE	C23H46NO7P	480.3064	479.3012	LPE(18:1)	6.22
C18:0 LPE A	C23H48NO7P	482.322	481.3168	LPE(18:0)_hp_a	6.2
C18:0 LPE B	C23H48NO7P	482.3222	481.3168	LPE(18:0)_hp_b	7.77
C20:4 LPE	C25H44NO7P	502.2909	501.2855	LPE(20:4)	6.12
C20:0 LPE	C25H52NO7P	510.3534	509.3481	LPE(20:0)	7.64
C22:6 LPE	C27H44NO7P	526.2911	525.2855	LPE(22:6)	6.09
C30:0 PC	C38H76NO8P	706.5321	705.5309	PC(30:0)	6.64
C32:2 PC	C40H76NO8P	730.5326	729.5309	PC(32:2)	6.6
C34:3 PC	C42H78NO8P	756.5437	755.5465	PC(34:3)	6.64
C36:2 PC	C44H84NO8P	786.5923	785.5935	PC(36:2)	6.52
C34:3 PC plasmalogen	C42H80NO7P	742.5685	741.5672	PC(P-34:2)/PC(O-34:3)	6.51
C36:5 PC plasmalogen	C44H80NO7P	766.5664	765.5672	PC(P-36:4)/PC(O-36:5)	6.42
C36:3 PE plasmalogen	C41H78NO7P	728.5521	727.5516	PE(P-36:2)/PE(O-36:3)	5.42
C38:7 PC plasmalogen	C46H80NO7P	790.5666	789.5672	PC(P-38:6)/PC(O-38:7)	6.4
C38:6 PC plasmalogen	C46H82NO7P	792.5825	791.5829	PC(P-38:5)/PC(O-38:6)	6.39
C34:2 PE	C39H74NO8P	716.5164	715.5152	PE(34:2)	5.49
C34:0 PE	C39H78NO8P	720.5482	719.5465	PE(34:0)	6.62
C36:4 PE	C41H74NO8P	740.5168	739.5152	PE(36:4)	5.42
C36:2 PE	C41H78NO8P	744.548	743.5465	PE(36:2)	5.46
C38:6 PE	C43H74NO8P	764.5144	763.5152	PE(38:6)	5.4
C38:4 PE	C43H78NO8P	768.5453	767.5465	PE(38:4)	5.39
C40:6 PE	C45H78NO8P	792.5456	791.5465	PE(40:6)	5.37
C34:3 PE plasmalogen	C39H74NO7P	700.5211	699.5203	PE(P-34:2)/PE(O-34:3)	5.44
C34:2 PE plasmalogen	C39H76NO7P	702.5368	701.5359	PE(P-34:1)/PE(O-34:2)	5.44
C36:5 PE plasmalogen	C41H74NO7P	724.5215	723.5203	PE(P-36:4)/PE(O-36:5)	5.37
C38:7 PE plasmalogen	C43H74NO7P	748.5193	747.5203	PE(P-38:6)/PE(O-38:7)	5.35
C38:6 PE plasmalogen	C43H76NO7P	750.5347	749.5359	PE(P-38:5)/PE(O-38:6)	5.35
C38:5 PE plasmalogen	C43H78NO7P	752.5501	751.5516	PE(P-38:4)/PE(O-38:5)	5.35
C40:7 PE plasmalogen	C45H78NO7P	776.5506	775.5516	PE(P-40:6)/PE(O-40:7)	5.32
C14:0 SM	C37H75N2O6P	675.5368	674.5363	SM(d18:1/14:0)	7.23
C16:1 SM	C39H77N2O6P	701.5528	700.5519	SM(d18:1/16:1)	7.14
C16:0 SM	C39H79N2O6P	703.5681	702.5676	SM(d18:1/16:0)	7.13
C18:1 SM	C41H81N2O6P	729.5845	728.5832	SM(d18:1/18:1)	7.07
C18:0 SM	C41H83N2O6P	731.6	730.5989	SM(d18:1/18:0)	7.06
C20:0 SM	C43H87N2O6P	759.6291	758.6302	SM(d18:1/20:0)	6.99
C22:0 SM	C45H91N2O6P	787.6595	786.6615	SM(d18:1/22:0)	6.93
sphingosine	C18H37NO2	300.288	299.2824	Sphingosine	5.72
phytosphingosine	C18H39NO3	318.2984	317.293	Phytosphingosine	5.84
sphinganine	C18H39NO2	302.3035	301.2981	Sphinganine	5.74
C16:0 Ceramide (d18:1)	C34H67NO3	538.5178	537.5121	Cer(d18:1/16:0)	1.87
C24:1 ceramide (d18:1)	C42H83NO3	648.6242	649.6373	Cer(d18:0/24:1)	1.81
cAMP	C10H12N5O6P	330.0578	329.0525	3',5' cyclic AMP	6.99
METABOLITES_END
#END