#METABOLOMICS WORKBENCH efahy_20230425_000082 DATATRACK_ID:3979 STUDY_ID:ST002664 ANALYSIS_ID:AN004336 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 Colon Powder
ST:STUDY_TITLE                   	- Untargeted HILIC-Positive
ST:STUDY_SUMMARY                 	The goal of the endurance exercise training study in young adult rats (internal
ST:STUDY_SUMMARY                 	code: PASS1B-06) was to perform exercise training studies in adult (6 month)
ST:STUDY_SUMMARY                 	F344 rats, and from these rats collect as many tissues as feasible in order to
ST:STUDY_SUMMARY                 	provide high quality samples for detailed analysis by chemical analysis sites.
ST:STUDY_SUMMARY                 	Tissues were collected from 10-12 rats sedentary control rats concurrent with
ST:STUDY_SUMMARY                 	the collection of the 8-week training groups. The 8-week training group and
ST:STUDY_SUMMARY                 	controls were from the same cohort and same age at euthanasia (either 8). For
ST:STUDY_SUMMARY                 	the older age group, an additional set of controls (n=5-6) were collected with
ST:STUDY_SUMMARY                 	the 1-2 week training group. Rats were either sedentary or underwent an exercise
ST:STUDY_SUMMARY                 	training program. Rats were exercised on the rodent treadmill 5 days per week
ST:STUDY_SUMMARY                 	using a progressive training protocol designed to exercise the rats at
ST:STUDY_SUMMARY                 	approximately 70% of VO2max as outlined in the Table on the next page. Training
ST:STUDY_SUMMARY                 	was performed no earlier than 10:00 am and no later than 5:00 pm over 5
ST:STUDY_SUMMARY                 	consecutive days per week. Training was initiated with the treadmill set at 70%
ST:STUDY_SUMMARY                 	of VO2 max (see tables) and 5 degrees grade for 20 minutes. The duration of
ST:STUDY_SUMMARY                 	exercise was increased by one minute each day until day 31 of training (start of
ST:STUDY_SUMMARY                 	week 7), when a duration of 50 min was reached. Speed and grade of each training
ST:STUDY_SUMMARY                 	session increased in larger increments due to treadmill parameters. The highest
ST:STUDY_SUMMARY                 	intensity and duration of training began on day 31. This intensity was
ST:STUDY_SUMMARY                 	maintained for the final 10 days of the protocol to ensure steady state had been
ST:STUDY_SUMMARY                 	achieved. If any rats were unable to perform at least 4 days of training per
ST:STUDY_SUMMARY                 	week they were removed from the study and euthanized. It is important to note
ST:STUDY_SUMMARY                 	that the starting treadmill speed varied depending on the sex and age of the
ST:STUDY_SUMMARY                 	rat. The initial and maximum speeds were based on VO2max measurements obtained
ST:STUDY_SUMMARY                 	during the pre-training testing of the compliant rats. Rats assigned to the
ST:STUDY_SUMMARY                 	control group followed a schedule similar to the training group. They were
ST:STUDY_SUMMARY                 	placed in one lane on the treadmill for 15 minutes/day, 5 days per week. The
ST:STUDY_SUMMARY                 	treadmill was set at 0 m/min at an incline that corresponded to the incline
ST:STUDY_SUMMARY                 	being used by the training group.
ST:INSTITUTE                     	Broad Institute
ST:DEPARTMENT                    	Metabolomics Platform
ST:LABORATORY                    	Clish
ST:LAST_NAME                     	Clish
ST:FIRST_NAME                    	Clary
ST:ADDRESS                       	415 Main St, Cambridge, MA 02142
ST:EMAIL                         	clary@broadinstitute.org
ST:PHONE                         	(617) 714-7654
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Rattus norvegicus
SU:TAXONOMY_ID                   	10116
#SUBJECT_SAMPLE_FACTORS:          	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA01	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0092m_MoTrPAC_PASS1B_HP-PREFA01.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB01	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0092n_MoTrPAC_PASS1B_HP-PREFB01.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed01	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0092o_MoTrPAC_PASS1B_HP-Sed01-COL.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed02	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0092p_MoTrPAC_PASS1B_HP-Sed02-COL.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE01	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0092q_MoTrPAC_PASS1B_HP-IPE01-COL.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE02	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0092r_MoTrPAC_PASS1B_HP-IPE02-COL.raw
SUBJECT_SAMPLE_FACTORS           	BC49E4EF-E2FE-4269-BAF0-461F768BD95D	90217016103	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0093_MoTrPAC_PASS1B_HP-90217016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	0BD282C7-7832-4581-9089-08A32D557034	90218016103	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0094_MoTrPAC_PASS1B_HP-90218016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	955498F4-70A0-4D50-A2BA-619A8FED8FEF	90222016103	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0095_MoTrPAC_PASS1B_HP-90222016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	CFE06932-9314-4BCC-B2D9-73883D5FCDFB	90223016103	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0096_MoTrPAC_PASS1B_HP-90223016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	3719CB62-B551-49BE-94A0-E51DFE13D30D	90225016103	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0097_MoTrPAC_PASS1B_HP-90225016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	F65955CE-E49F-48C7-B861-02A2FDF6F9B8	90227016103	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0098_MoTrPAC_PASS1B_HP-90227016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	0559B193-BED3-4170-B045-10A2B6441CB6	90229016103	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0099_MoTrPAC_PASS1B_HP-90229016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	90CFE5A4-76FE-4458-A2B1-A66F0B60118E	90232016103	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0100_MoTrPAC_PASS1B_HP-90232016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	F0D83B29-8EFA-4CDE-B1AA-2358AC220ECF	90237016103	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0101_MoTrPAC_PASS1B_HP-90237016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	FCE9ABE6-B60B-4934-BAE5-56AF8B11ECEC	90239016103	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0102_MoTrPAC_PASS1B_HP-90239016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	1628FB23-6F66-47D4-8D82-63C87726F0FD	90245016103	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0103_MoTrPAC_PASS1B_HP-90245016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	69FD4884-786D-4F2A-97B1-6174FBD25D60	90248016103	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0104_MoTrPAC_PASS1B_HP-90248016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	0D5071F5-D166-4CF1-BE8B-EB4DF6E04C0E	90251016103	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0105_MoTrPAC_PASS1B_HP-90251016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	07AF7369-F082-4CA7-99D5-D973F4A162C9	90252016103	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0106_MoTrPAC_PASS1B_HP-90252016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	2479BEE5-2A38-4D09-B15B-B1715F561A9F	90254016103	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0107_MoTrPAC_PASS1B_HP-90254016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	0A4A7935-3AF4-463F-84E3-DCF07671509D	90258016103	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0108_MoTrPAC_PASS1B_HP-90258016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	04C84D7E-FC8C-422F-AE4B-CAFADB63407B	90259016103	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0109_MoTrPAC_PASS1B_HP-90259016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	F9BEE1FA-E2DB-4BE4-A79C-99D585D6FD17	90265016103	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0110_MoTrPAC_PASS1B_HP-90265016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	A77AC89A-1D9E-4516-9DA4-2BE99C8126EF	90266016103	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0111_MoTrPAC_PASS1B_HP-90266016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	2B969165-1A52-43AA-8FD9-39AFA62F094F	90267016103	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0112_MoTrPAC_PASS1B_HP-90267016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA02	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0112a_MoTrPAC_PASS1B_HP-PREFA02.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB02	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0112b_MoTrPAC_PASS1B_HP-PREFB02.raw
SUBJECT_SAMPLE_FACTORS           	22D700B9-EDD0-4BC8-8155-EB9C39417F81	90280016103	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0113_MoTrPAC_PASS1B_HP-90280016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	1CA4210C-3CE6-4A5A-996B-673EBDEB3B81	90281016103	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0114_MoTrPAC_PASS1B_HP-90281016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	9F3E1040-D409-421E-B635-2572DC20ED89	90283016103	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0115_MoTrPAC_PASS1B_HP-90283016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	569A9229-04E8-414A-A195-FE9E8F1B66AB	90289016103	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0116_MoTrPAC_PASS1B_HP-90289016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	E4271AF1-899A-4A65-9D8D-BF18CEE3F1CF	90292016103	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0117_MoTrPAC_PASS1B_HP-90292016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	2E37478F-525F-4E5E-A882-EE75FD0CFB29	90406016103	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0118_MoTrPAC_PASS1B_HP-90406016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	A9CE3E3D-31A0-4443-8A7F-8FD831D79248	90410016103	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0119_MoTrPAC_PASS1B_HP-90410016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	3D5BC47C-BB3D-45A2-8DB8-D7ADCD51997C	90412016103	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0120_MoTrPAC_PASS1B_HP-90412016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	89D6F615-D17C-4EB9-88EB-A602940FF179	90416016103	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0121_MoTrPAC_PASS1B_HP-90416016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6	90420016103	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0122_MoTrPAC_PASS1B_HP-90420016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	6D680EA2-C62B-4A35-8B6E-2ED6A79CB017	90421016103	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0123_MoTrPAC_PASS1B_HP-90421016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	53F914B0-FD4F-4340-84A6-48341EAB3798	90422016103	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0124_MoTrPAC_PASS1B_HP-90422016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	D350D633-8D95-4783-99F2-BB8294D2EC32	90423016103	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0125_MoTrPAC_PASS1B_HP-90423016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	0DBFEB04-1B58-43CF-BAFD-9AA9915B67F6	90426016103	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0126_MoTrPAC_PASS1B_HP-90426016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	10E282EB-1DBA-406E-BD5D-81027083A01D	90430016103	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0127_MoTrPAC_PASS1B_HP-90430016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	4E974304-21EB-42E8-A729-A7FB6B406E64	90439016103	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0128_MoTrPAC_PASS1B_HP-90439016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	6527EC12-E7EB-4F17-BF0A-0AC7CD1819A0	90441016103	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0129_MoTrPAC_PASS1B_HP-90441016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	AEB1611A-F29E-43F8-B9F3-A2BC4F9EB504	90444016103	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0130_MoTrPAC_PASS1B_HP-90444016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	FDA87A8D-3634-4C42-9A1A-0EA03B58BB01	90449016103	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0131_MoTrPAC_PASS1B_HP-90449016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	CDCFA3F1-07ED-4737-A36D-15EFEC325AA5	90450016103	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0132_MoTrPAC_PASS1B_HP-90450016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA03	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0132a_MoTrPAC_PASS1B_HP-PREFA03.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB03	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0132b_MoTrPAC_PASS1B_HP-PREFB03.raw
SUBJECT_SAMPLE_FACTORS           	B73AB139-7210-4498-9CCF-E1DBE6EBA71C	90559016103	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0133_MoTrPAC_PASS1B_HP-90559016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	EA5C8932-9325-4DA5-96BB-50CD49CEDD10	90560016103	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0134_MoTrPAC_PASS1B_HP-90560016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	0645F621-878C-4C9B-84A6-58862BAA17D9	90564016103	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0135_MoTrPAC_PASS1B_HP-90564016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	68083256-8DAA-4185-B446-0CAF600474B5	90567016103	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0136_MoTrPAC_PASS1B_HP-90567016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	6A013AA1-4D1E-4B75-B691-6BA22D928E51	90571016103	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0137_MoTrPAC_PASS1B_HP-90571016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E	90576016103	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0138_MoTrPAC_PASS1B_HP-90576016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	DC8B35E8-4AA8-4829-8569-F223D069620C	90578016103	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0139_MoTrPAC_PASS1B_HP-90578016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	8904857C-2073-4BBA-AC7C-1EC239E5BFF7	90581016103	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0140_MoTrPAC_PASS1B_HP-90581016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	1F9BD644-303F-43E7-94BE-FF6654306F5E	90585016103	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0141_MoTrPAC_PASS1B_HP-90585016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	0409BED3-F9FE-4C06-9920-74F5E5CA04A3	90587016103	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0142_MoTrPAC_PASS1B_HP-90587016103-COL.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed03	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0142a_MoTrPAC_PASS1B_HP-Sed03-COL.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed04	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0142b_MoTrPAC_PASS1B_HP-Sed04-COL.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE03	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0142c_MoTrPAC_PASS1B_HP-IPE03-COL.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE04	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0142d_MoTrPAC_PASS1B_HP-IPE04-COL.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA04	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0142e_MoTrPAC_PASS1B_HP-PREFA04.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB04	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0142f_MoTrPAC_PASS1B_HP-PREFB04.raw
#COLLECTION
CO:SAMPLE_TYPE                   	Colon
#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               	ST002664_AN004336_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	90217016103	90218016103	90222016103	90223016103	90225016103	90227016103	90229016103	90232016103	90237016103	90239016103	90245016103	90248016103	90251016103	90252016103	90254016103	90258016103	90259016103	90265016103	90266016103	90267016103	QC_PREFA02	QC_PREFB02	90280016103	90281016103	90283016103	90289016103	90292016103	90406016103	90410016103	90412016103	90416016103	90420016103	90421016103	90422016103	90423016103	90426016103	90430016103	90439016103	90441016103	90444016103	90449016103	90450016103	QC_PREFA03	QC_PREFB03	90559016103	90560016103	90564016103	90567016103	90571016103	90576016103	90578016103	90581016103	90585016103	90587016103	QC_Sed03	QC_Sed04	QC_IPE03	QC_IPE04	QC_PREFA04	QC_PREFB04
phenylalanine-d8	783639	776874	748244	751015	783863	788464	725514	823834	776517	821002	768328	820282	752388	803123	794805	770659	785409	787863	824099	846366	768148	840089	749555	761012	800112	787908	783639	786194	806556	755626	739017	771086	807768	777363	789639	704701	787540	724674	743577	764030	715884	749493	685039	726911	675047	710648	781234	749275	783639	781218	773983	742677	721933	796990	816328	822670	692789	688909	702190	729708	699780	684529	759097	757718	783639	797617
valine-d8	443336	444786	416947	431077	426354	428762	427187	457710	449433	476774	448640	460222	449461	475059	455704	450450	452878	460305	478156	482470	441055	483308	406448	441504	441441	438318	443336	448587	459531	441421	440485	467278	473306	459141	468656	427549	461031	424992	417438	423763	388174	398723	386876	410080	385959	411652	438083	430496	443336	439349	419882	407851	421610	435634	461080	468993	390145	408050	410134	439661	372511	370539	393535	400257	443336	454196
1-methyladenosine	33544	35731	32158	28184	61058	58273	26353	32560	34771	35219	37966	38901	31223	27441	43037	30569	35836	33146	40137	32618	35085	36092	31844	24802	34709	46700	33544	32076	32032	31420	37781	32723	28504	32379	27817	28936	28090	35360	28240	31262	27850	26124	29488	29630	28596	38760	29674	38873	33544	35972	35701	39643	30970	34473	32898	30267	34603	33055	23922	38076	35514	35530	47941	47009	33544	32420
1-methylguanosine	9934	10858	9654	9637	33951	33264	10635	12399	9955	11955	10037	15276	9677	8219	12297	7685	11281	8848	15735	8356	11739	10670	9884	7803	12024	13851	9934	8671	9743	8883	9215	9063	7641	5952	10105	7189	7600	9574	7968	7509	6023	5446	6435	6659	5975	8784	8723	7732	9934	9111	8892	9700	7054	10470	7123	5400	8756	7347	3756	12169	16372	16731	43986	46865	9934	10465
1-methylhistamine	8312	8663	12760	12905	82899	81222	7341	13616	4142	8462	21469	23927	10085	5995	6775	4376	5635	6670	9037	5165	7442	4930	5806	4371	7386	4939	8312	8759	15464	11503	10123	7237	11071	6052	6757	5052	5518	4619	6107	5835	8196	10972	11277	9964	8147	17384	9959	5036	8312	8112	6982	8649	4742	6005	3556	6123	4988	6396	4502	17289	14445	14445	92610	90323	8312	8225
1-methylnicotinamide	2234894	2231989	1650394	1638136	1868860	1877517	1936398	1758519	1997894	2554896	2283167	2275782	2491000	2302662	2135791	2418183	2589147	1944201	2406146	2539876	1831568	2557715	2034354	2267101	2505507	2198162	2234894	2288174	1953153	2338290	1877886	2008087	2139316	2262956	1950117	1884421	2051770	1773328	2339298	2442114	1990907	2638025	1924016	2088819	2546787	2653453	1965770	1701948	2234894	2218957	2065149	1703096	1758412	2320338	2771732	2333574	2496183	2248023	2182786	2450994	1977661	1966495	1618906	1588913	2234894	2240884
21-deoxycortisol	15054	13499	10414	7592	48912	46982	245	3718	6808	26265	5797	10671	3987	2790	4813	4219	16535	21075	17784	8605	22439	18126	22676	9371	12968	31999	15054	12662	7862	5170	2992	5101	51338	22322	14596	24300	14670	14077	16317	14270	13671	8937	14491	3769	3771	13327	8729	24918	15054	18683	19704	29234	18735	35318	38705	20196	14951	16848	15617	15327	8581	8019	43586	44705	15054	12992
2'-deoxyadenosine	5015	4941	3446	3029	7018	6824	887	3893	6909	4913	2869	2241	1789	2798	3346	2609	6779	4491	3714	2382	4638	3236	5591	4457	5573	5085	5015	5431	9579	5366	3909	4242	5418	3744	2162	3834	2818	2179	2536	3794	2967	54117	2245	3165	2969	2265	2671	2755	5015	4830	4371	4411	3138	3732	4426	3602	4765	4215	2810	6355	4342	3893	13291	13235	5015	4922
2'-deoxycytidine	707100	700157	741262	734263	881788	851182	697258	666538	657217	776010	709264	897263	899514	655285	853912	624740	816610	504116	811202	708448	646483	739894	583471	573339	759981	735442	707100	703252	813678	652847	717251	773621	523988	754305	601546	516992	487269	541897	792011	790825	780342	684562	723064	631350	777687	872067	772386	708342	707100	689302	647806	697432	596524	675234	806107	680360	697801	725709	609996	728545	919867	899300	873658	867452	707100	736407
2'-O-methyladenosine	355190	389230	928953	923555	111786	86311	197860	473244	424817	616582	469402	295627	385343	182457	207783	138497	751067	246857	389576	441770	451956	646536	622100	317511	731080	410912	355190	356065	576258	520228	236966	225860	344617	441875	570718	349683	341612	394955	304429	346948	371920	385036	96457	218327	229168	208887	226480	188978	355190	348161	257912	281591	339790	361893	669962	248020	332591	265244	239359	225537	969501	999834	100728	115250	355190	331255
3-methoxytyramine	2394	2101	1077	868	777	914	2242	1522	888	3834	1110	2916	807	793	4025	953	1460	8381	2220	1016	2883	4194	1652	9618	12377	2422	2394	2417	9874	2569	2722	3545	3039	857	3027	954	618	1357	582	2158	1556	2593	1219	1103	1146	1923	843	608	2394	2350	3176	753	823	683	724	1092	2264	502	741	702	1093	1033	788	920	2394	2266
3-methylhistidine	227006	224042	260910	263122	392694	397987	249371	337824	224657	392847	291897	382281	361760	267153	330705	278870	193172	144755	251556	178024	186094	171603	148141	127523	181214	190377	227006	226194	298725	270964	299916	252464	264244	180270	169605	160291	142588	142972	242283	337225	221326	218439	194099	229980	240401	279233	246476	285027	227006	235728	209351	150188	169161	180781	197141	160846	168914	147232	124962	182665	340011	340271	353780	357079	227006	224847
4-guanidinobutanoate	22223	22423	36162	34660	121374	114045	15522	19313	17611	39168	23924	64015	25700	15166	33495	20092	33188	15319	31346	22438	22011	30781	31067	22177	27238	48685	22223	23127	14619	25538	9389	19806	23919	23338	15921	19433	12323	16233	17090	17187	16565	17364	12565	12847	15841	25008	14335	22306	22223	20928	22904	15826	11484	23235	20278	17435	23803	11519	10428	16159	51872	50306	108431	108300	22223	20544
4-pyridoxate	503330	497312	519006	505633	34552	34842	441551	420533	348589	712510	476918	603765	579317	420712	461042	340642	562805	444765	653683	594385	643980	526165	492516	431712	899524	654028	503330	507109	727044	381100	302448	450978	351618	505907	527814	419442	513122	452661	458621	395818	427793	910211	246679	273472	343735	353832	385680	246491	503330	511098	454433	470303	461365	504623	717006	728405	444673	378094	454096	530044	518512	524284	34622	34585	503330	502162
5-hydroxytryptophol	9463	9405	7753	9024	3691	3390	5373	12268	6289	14779	9085	18203	7865	10449	8497	6996	6631	7745	10948	9916	9034	7062	7637	7816	11796	9963	9463	9406	8903	8042	9749	10006	10390	11235	15461	13994	8580	5338	5363	8871	6152	10438	9093	8564	7901	7102	11866	6986	9463	8731	11625	10865	10629	13829	10497	9921	9846	9665	7967	9621	11684	12700	8521	10345	9463	9388
5-methylcytidine	168789	163337	161664	160817	206604	210366	146616	156648	144338	200381	153904	213665	205770	151690	207609	162550	205569	144443	215122	184693	162467	191951	155378	166139	189104	199896	168789	181382	204990	162437	166821	186381	133074	184639	164606	152985	150240	146222	181568	170147	166913	158232	159415	143416	170442	193372	163607	151771	168789	170409	150779	165385	140580	168293	175621	149895	164424	167500	138419	174919	206831	199891	210010	205381	168789	171090
5-methylcytosine	130653	131021	73023	73150	75390	78218	61843	99305	82390	129153	105859	122111	64996	64904	82377	74713	185484	137876	213287	165746	209400	192063	193516	162066	185534	217091	130653	133561	112524	94178	70889	100216	95192	168227	167235	160255	162553	162367	82691	65559	77843	75867	72430	58390	80182	78753	83138	57637	130653	127651	178389	168383	145079	175731	170766	151398	165841	158380	144998	148314	81436	82505	80415	75674	130653	128923
7-methylguanine	42254	42629	51116	50321	86398	81827	30334	41862	33370	47930	55499	55052	49813	31948	44947	34029	55941	37006	59579	43163	48889	47050	39441	37209	45845	51722	42254	44764	44138	39139	38900	35738	37794	46620	42671	40782	39211	29694	37882	38689	34872	36804	29100	36251	31987	67200	35352	28699	42254	40656	41569	40419	34750	44688	49311	34140	42859	43576	32471	46878	76206	72228	92027	85900	42254	44472
acetylcholine	6050492	6010334	2556701	2624956	4904808	4835277	2717547	3864616	2888677	3933789	2384073	3526348	4796216	2766223	3227936	3291131	5045051	3531067	5103477	3707508	3962861	5584971	7873092	7818986	10331556	9075050	6050492	6064145	11686340	6056154	5570655	4927707	4667111	5572049	3966817	5059624	4251937	3546045	7812056	8978492	8798180	10055993	3062419	6759739	6367470	5758890	6812908	4018692	6050492	6122410	7568211	5311973	6245327	4955750	7702786	7444415	10465903	10051107	6534206	10107716	3174428	3160546	3969056	4028257	6050492	6098150
acisoga	7351	7232	15296	15586	20455	19800	7306	5738	4939	6304	4505	6236	8967	5791	6940	5315	10936	7380	11979	9759	13152	7864	6763	5999	10039	7354	7351	7365	7184	4998	6343	6564	6485	9586	9205	7368	6821	5480	5137	6280	5642	5899	3976	4757	5066	8953	5677	4615	7351	7042	10010	7860	6854	10174	12043	7375	8103	8277	7186	8009	20682	20612	19308	19482	7351	7419
adenosine	19250627	19133344	13811253	13954961	14584733	14367632	11192645	13285539	19489749	18460409	16505619	16057151	20087749	14533531	15424628	15438679	27167267	17358931	19089404	17981211	14908353	26141924	23008800	16928780	18272617	18127046	19250627	19626645	26200387	22707590	15641575	17474671	18214000	26329038	19054246	19238041	18979702	14342668	18959390	24366075	21044198	19715074	9804594	18267199	20273583	19247452	15103814	14854894	19250627	19132795	16728486	13555639	19530213	16063285	23400643	17089398	21756958	21462490	20289614	20605804	17995372	17525302	18757794	18627032	19250627	20085178
ADMA	7294767	7054983	6742151	7177280	18238447	18447328	6796016	7476471	5710967	7543156	7050429	8169078	8199848	6060516	7598868	7432701	9438108	6481175	8923361	5692807	6603699	7363511	8074831	6954184	6386210	7676734	7294767	7139723	7241331	8908431	6636215	6687216	8392742	8284226	7737162	7253448	6822723	5871448	5761305	5930254	6758742	8250474	6212871	6589421	6509283	8335917	7182607	6037185	7294767	7445225	8217150	7610729	6151379	7314448	9010268	6945796	8546441	6845623	5463993	7920631	9425323	9695907	21727997	19280462	7294767	7399626
agmatine	2526	3018	5916	4985	1760	1637	459	1357	6218	6203	4736	1038	260	718	1433	571	380	2438	1022	936	3485	1030	998	968	1852	1099	2526	2392	11848	1329	272	1335	995	1172	589	1451	980	461	630	927	1633	41528	438	593	840	742	986	822	2526	2685	1037	1699	646	1631	2370	1650	1168	653	564	1788	2236	1922	1814	1730	2526	2685
ala-ala	6911	6861	7193	6080	16240	16309	3849	4153	12172	16499	8532	5620	6317	5503	11565	4856	5184	7041	8406	6343	8669	4903	3947	2860	5797	4734	6911	6604	12160	5141	3842	6245	3245	2708	5999	4561	4147	2326	2575	2864	2864	56233	2789	3600	2793	5950	3948	4537	6911	7237	5287	6064	4015	5573	8714	6512	4336	3993	2643	5487	7093	6798	16788	17798	6911	7888
alanine	824204	846069	782918	804194	1702223	1734866	699774	937421	942165	1144690	812102	1464542	1101142	828519	979572	772677	892886	626833	955670	695919	842607	1004905	998948	706432	652266	909487	824204	837741	956265	877588	746175	745191	789553	827273	624665	900360	783437	613644	747183	869324	749810	726514	800213	708888	663271	792545	905800	756368	824204	847174	839455	865290	550485	777346	816484	724696	727986	666870	494396	654892	1000585	1013744	1703650	1710901	824204	817883
allantoin	87344	87300	103937	107111	154985	153790	65226	85533	69432	87970	97697	102950	114720	69884	93164	72023	113655	79656	117723	88120	92335	103364	89016	69493	82337	92957	87344	87626	73103	90051	86620	74604	86785	105773	96388	81279	80899	64066	81768	83689	83415	61893	75172	82579	71178	124534	89872	74361	87344	86207	96481	75918	84659	92560	106612	76618	82125	87136	75845	97670	143696	140981	130786	133730	87344	87320
alpha-glycerophosphocholine	52511708	51778626	75789402	76780164	93183535	92512888	43177595	45642488	42669468	58829565	44912861	66061938	60849234	47344443	63713148	64210473	51906161	48553465	60698111	50641733	49641857	56334570	53021199	41358454	48808604	56043980	52511708	54433916	64305418	53884354	48765704	59571372	69907152	50746203	47741752	41740973	43183323	46387678	54095111	56001529	52687676	52489535	60290641	49269283	52005954	57088782	62606252	55901299	52511708	53763474	47667629	40834332	38756290	43773813	49565692	46583679	47845932	50140983	38012924	56401194	67406401	66487908	87386326	88393293	52511708	53147735
anserine	92067	90871	145954	145289	75026	76307	221080	935927	166729	271259	50065	161076	104030	73944	49055	98475	44714	48242	200856	70834	33866	58276	118864	25163	86508	40375	92067	92284	213187	179669	111107	29333	89697	46405	43051	40994	20296	28349	70310	43117	44109	39213	54662	29371	100102	101472	21585	56039	92067	91800	39489	48634	10616	39551	36868	13899	29778	9506	19203	13053	183155	193403	104512	106608	92067	100549
arachidoyl ethanolamide	62675	67780	50675	49013	64929	65235	33989	157275	36835	137455	29542	26893	32783	99332	36623	172320	67747	78397	32659	63579	62259	61795	75804	60128	70680	41347	62675	58618	29120	105707	62700	108717	143335	29545	68360	91145	137834	31905	32792	36296	40342	182660	38206	108648	90921	35749	25303	34940	62675	55712	139476	34318	43942	26840	32284	35504	30297	30834	29218	21121	36699	38609	37311	36845	62675	60877
arginine	2194789	2287091	2450787	2524581	3661305	3727308	2675342	2636553	2161857	3109046	2733234	3209233	2811792	2160701	2143510	2274424	2421921	1483719	2900374	2213083	2315690	2697886	2153706	2220970	2537698	2388298	2194789	2264056	2108856	2259352	1629550	1976619	2372950	1981265	2294736	2100109	1979870	1890633	1928477	2494853	1805758	1879092	1655980	1620067	1813399	2361833	2191833	2006289	2194789	2243562	2028839	1702883	1920465	2564405	3063687	2096633	2186600	1813232	1706749	1644775	3113117	3115061	3453370	3507081	2194789	2243219
asparagine	50359735	49864003	56055052	55825319	92237375	92818927	52399349	46890478	49924940	63834594	54172816	73186746	61378745	46511978	59750645	54731688	54144901	46593744	58286641	48805408	43359710	60940695	50817225	54155234	50198574	56814238	50359735	50658183	49174517	53098087	39765043	48373576	50978417	53246772	44790378	50240257	48362066	42620259	46699721	49790834	47951623	47068183	41904489	42998411	49530790	49683001	51572870	41240431	50359735	52900213	50823452	55281532	42269428	51696312	53496725	46018858	53026938	45947775	35877509	50680035	67205518	68202104	95693740	96531553	50359735	50742117
aspartate	187973	186885	241989	247635	329419	335297	159276	176806	228180	233998	214495	236343	197821	160808	184120	142713	218630	214921	205590	158144	213070	204482	184145	181679	175305	262698	187973	186510	205890	149703	177752	176852	170801	228124	162614	240866	190673	138662	134113	147902	150526	195103	181674	150188	161922	165053	175679	167057	187973	194894	206034	284420	151257	182891	201485	146768	206962	128620	147517	204883	299556	304133	318997	322372	187973	194831
beta-alanine	34249730	35619009	28801161	28162158	59403760	61261162	27105867	39537621	30079316	42785086	31273695	50778351	53064629	36063803	82219816	31824600	31287943	24817676	43029148	34324431	29840491	33063350	32169130	30537248	29983975	29470161	34249730	33991819	39146382	32776219	34147944	28249787	33736236	33076981	32610819	30265126	25377196	22997923	31397438	37937219	31836973	26440171	26734173	41228512	24860572	46590602	34859065	30741256	34249730	34107298	32320877	27889031	25566248	26928704	33148189	38836725	31233647	27260439	19873450	25577084	35036044	34468561	53004913	51161717	34249730	34209845
beta-guanidinopropionate	178666	181505	99361	93699	310472	309926	126294	133598	209362	309888	187186	308875	234999	220036	205444	162596	292571	173511	331348	230995	220792	291603	148811	139802	222452	223404	178666	182364	185596	149989	137648	150248	118215	213665	179823	164301	184844	161357	104375	117987	89124	82504	93811	92976	101032	117761	129481	105705	178666	175168	203890	201418	160825	197504	324654	215782	227081	200941	139656	245723	118738	114929	258871	249731	178666	179284
betaine	29618572	29489433	31184140	31679740	55508004	55901445	26015177	25690423	28835452	30203698	27044423	34441421	30513543	23941961	34817387	27026270	32158654	28238519	33660656	27954811	34373884	38474855	38551539	26728623	26716870	38944851	29618572	30030403	28562767	25810350	27833866	25149369	26945831	31953448	25228944	30136446	27139992	29920273	25306455	27231911	28108014	26524124	24182171	25393345	27322822	30733117	27430493	30898856	29618572	30013059	27826444	34257978	22705112	30039291	30904554	22038776	30021140	27004157	21823344	27677064	38610628	38356932	53872182	54030086	29618572	29710728
biliverdin	2263030	2356452	2077891	2154582	951364	1077005	1605029	3115372	1118714	4073286	1683038	5081050	2789217	2623987	2384365	2388452	1495365	1513527	2851008	2611595	2238129	2188781	2453737	1504010	2348101	2344909	2263030	2390690	2280036	1451084	2244777	2451916	2491760	2145483	2168928	2408706	1708330	1321480	2213568	2891221	1799442	2827096	2235520	2139236	1770971	2051814	2311591	2064561	2263030	2292565	1972560	1976357	1493970	2474178	2199979	1962450	1261507	1689824	1491847	1335105	2404961	2332452	2237529	2263072	2263030	2294976
biopterin	44694	45527	30265	33169	11836	13213	25634	72928	30511	72902	36675	99006	41026	52534	32158	33012	30218	33220	48571	48313	42579	48051	41641	32528	40083	44590	44694	47499	46985	43989	54644	57172	67111	54250	55143	47586	40072	32953	34755	43797	23474	43191	48126	40888	34197	33956	58817	42482	44694	44997	32677	35870	36194	52185	47138	37906	34855	39494	31182	48692	38675	36175	25501	24610	44694	45903
biotin	3784336	3705123	1302860	1365017	692029	787529	2110465	3935234	2190813	5372502	2433160	4330174	2706116	2369183	2515295	1667119	7351379	3979397	7599736	5493781	4743670	4744696	3304480	3010263	7209304	5402245	3784336	3893231	6356978	1999096	2098987	2016391	1896292	4788871	4365418	3011609	4405660	2194586	2854486	2965163	3470526	4129407	1570643	2111961	1977064	3781388	3987655	2196834	3784336	3928690	4132995	3073591	4592329	5417561	5067656	5628329	4935924	5576829	3529943	3998712	1502871	1524647	489070	500334	3784336	3686397
butyrobetaine	2148769	2153236	2642882	2650807	3885276	3856886	1418706	1801411	1421093	3237256	2392370	2859156	1991539	2304944	5263906	3712952	1798387	1599025	2588186	2094593	2451480	2101205	2382663	1729077	2099575	3176173	2148769	2172725	2762531	3218539	2065150	1507093	2002536	2185831	1376586	1945951	2137786	2187091	1419718	2004827	1560426	2734074	1492704	1963482	1563133	1321505	1431870	2117012	2148769	2134992	2284401	1337722	1188192	1949727	1874930	2341618	1592148	1481665	1143411	2731023	3545222	3509510	3530765	3529063	2148769	2100343
N-acetylgalactosamine	75245	78084	75890	78572	262433	256516	57881	85548	119792	123957	65352	132055	99724	73187	72283	62369	106323	59427	101851	94093	79755	88650	70429	53191	79528	78874	75245	77459	72410	56460	67045	74557	77856	76892	81310	67687	79109	65966	64860	57643	51990	60032	57510	51768	63904	72285	68722	48362	75245	72147	66337	61751	62181	72518	85580	66881	69339	74773	50235	77286	111631	108873	306982	299258	75245	79699
carnitine	34392187	34396342	46095673	47099808	85603002	84001013	34521035	35430079	35557498	48129640	38142492	51083743	47135574	33874129	36223687	35506173	40689572	28333681	37433659	29868681	31980544	41834601	37159533	27372810	28071740	33904402	34392187	34417069	40631532	34210270	27536119	31981415	32390469	33405588	29024825	32185774	28070708	25557929	28829296	31590659	33528839	35233975	37234089	27370384	34775174	36086009	37007846	29484704	34392187	34145675	35486077	31911712	21765266	32492691	36180549	24032941	30940595	29239237	23166566	34243043	55461305	55242126	81083211	80569067	34392187	34493507
C2 carnitine	90939954	91877962	99436650	100797777	122654713	123257838	82777124	79569700	73024745	102429467	76100094	84520257	101182447	82276271	98629317	92215948	97330754	85151465	102866944	88770019	91583131	101524001	85860050	80216125	93686013	85065592	90939954	90855101	92426896	87952869	83277322	88943030	96988619	98770793	83203771	83897734	86188278	69941723	94833899	105089194	89320451	92112910	76509925	92458267	93673827	111051818	83175684	81453572	90939954	91773779	84027895	88419459	76543145	84298056	98008288	80063532	92173198	90765743	76964834	86817332	117271616	116103794	119064971	119936070	90939954	89820542
C3 carnitine	5660258	5695142	4094296	4055572	4145975	4126511	3837120	8729187	2974807	5476554	4344533	6990154	7088734	5462265	6205744	4935775	7078803	4092121	6888470	5332163	6046131	6690000	6383346	5520357	5430293	4912599	5660258	5686295	6545285	5726687	5166900	4310296	5269457	6819006	6057411	5363676	6230245	3817062	5003016	6480427	7189582	4250620	4738615	5770230	5930832	7502996	8439187	4360395	5660258	5741506	5527452	5451465	4531505	4738324	4730320	5393350	6614035	4483595	3811035	4188915	5141627	5043263	3872059	3789155	5660258	5653094
C3-DC carnitine	510038	491736	480578	494410	777103	808461	463627	442655	372611	578366	406223	571340	556077	448115	501133	470267	662004	441107	665817	541709	512922	584941	478728	420750	554376	459333	510038	481684	562965	403299	399798	442488	490569	465163	468567	485641	469259	450615	506154	503315	469757	489033	456653	472451	507209	596178	513580	390304	510038	494247	523401	493451	421849	511496	506123	454086	532408	489400	387306	611589	604486	599317	794067	781689	510038	511765
C3-DC-CH3 carnitine	12947	14686	36137	31623	126981	127763	10060	12573	14043	20129	12009	23443	15550	8372	16233	13734	19831	13368	16781	9418	13189	19536	20825	11885	11153	14981	12947	15616	15281	16616	10633	10353	12069	13261	11535	13552	12023	9684	8422	10241	10871	9462	11492	8852	11536	13354	10768	10687	12947	12062	11078	17199	7360	14875	13011	7806	12683	8368	6753	13564	48515	45393	112903	112910	12947	12507
C4 carnitine	45221495	44784088	41307544	40579130	15150923	15154887	46141214	40279467	41357027	51113139	40482233	59033407	58447310	44514702	47838277	38294450	59590925	36454084	61513100	48574071	52378807	54767013	51582148	48168640	46262211	49957312	45221495	45903363	54018351	43360091	37808127	45350002	44973806	42037472	44253639	46760180	48798600	40245587	46699922	44089377	41410622	40122513	31475036	35713692	40116578	40393537	42680592	36329007	45221495	45312530	46996079	43322802	37486995	33812433	50778387	46877836	48996776	37338977	31190090	33753394	49658263	49573590	14574829	14455115	45221495	45754636
C4-OH carnitine	2056842	2061002	1597421	1623704	2835435	2790540	2176506	2001387	1437588	1985488	1588403	1726980	2947679	2142433	2198891	1899641	2681792	1757551	3241317	3206714	2467293	1705124	1415567	1606057	2364283	1745840	2056842	2084200	1835782	1386191	2100049	2043136	2180910	1876880	1952913	1656198	1953635	1453663	2434603	2469358	1647111	1897109	1407325	2292030	1514778	2433614	1663255	1684624	2056842	2048071	2341187	1736568	2196286	2118147	2273968	2331548	2084525	2572562	1658066	1951001	2073802	2072469	2921690	2814844	2056842	2112130
C5 carnitine	3342845	3340216	2981009	3056090	4107917	4037318	2985708	3796961	2347115	3970940	2715635	5180064	3670255	2560295	2973631	2321040	4958343	2455491	4698584	3655065	3434730	4608775	4298852	3810993	3269557	3490594	3342845	3346648	3503100	2665046	2406312	2547044	2699089	3286311	4160849	4129686	4153888	2726386	2614291	2855420	3133819	2283503	2646597	2306503	3150434	3464041	3752837	1969155	3342845	3340460	3762806	3413135	2974414	2453079	3652053	3569307	4375127	2857545	2432690	2622929	3841775	3835218	3739455	3699692	3342845	3372520
C5:1 carnitine	44857	44611	38574	38434	56863	56442	36148	45248	32757	48066	34884	60215	55046	32752	40210	37172	63142	34762	70353	53684	48371	68328	51804	55715	47162	45760	44857	43529	40230	34475	31522	33302	38993	49323	56574	48037	53754	36646	38702	40577	45019	31147	34607	36766	41546	49639	50589	29319	44857	45703	47698	36599	34497	38667	45509	45385	53029	40679	31810	34080	45774	46067	56565	52357	44857	43262
C6 carnitine	382118	384337	247411	256640	288698	296313	253402	395686	371781	356385	245831	466498	414788	475481	353712	250336	491825	301283	474179	384151	412221	389556	308324	421562	408017	455408	382118	376096	428574	378136	449344	429535	366672	398917	516258	429682	447990	314172	346631	409930	285705	280826	256655	270796	403278	349881	605203	468643	382118	384866	381207	540337	450845	382457	466816	541754	551746	405607	297464	358867	379261	372524	251999	249988	382118	386036
C7 carnitine	276927	283705	129950	132962	110350	112276	191296	347151	137466	211834	116212	316185	305348	204345	218045	99175	383102	267989	363171	308400	343080	442509	345057	404047	272226	276422	276927	281634	275280	227790	315165	227283	249246	343847	415015	357128	404271	296312	233177	280005	225012	141787	179568	167516	314270	197413	343653	172174	276927	281663	282403	330597	293836	219607	294115	306001	428469	258283	193628	256616	197224	196170	88675	89983	276927	280287
C8 carnitine	213738	220405	122568	126075	328402	330659	163943	206442	169326	188001	116490	210639	225764	206059	196040	152332	248263	239244	273895	232193	274908	243133	197345	231759	197538	201712	213738	215641	196952	183181	240750	204404	258556	230089	186452	213523	254418	189587	208054	222610	148933	183406	178431	220054	231140	233250	178844	206944	213738	213923	214278	247923	217931	209937	177054	226701	240555	216089	160471	227190	194373	185886	283704	270684	213738	216218
C10 carnitine	91653	91631	65027	65910	248874	243238	91523	93080	74249	96532	57792	87160	101755	89027	95159	74519	97370	97190	143040	115720	113093	98949	81509	99971	90415	89640	91653	97757	85700	76605	100924	84539	104786	93316	76040	90380	100366	81226	83032	95000	64631	77580	108358	99794	98525	106410	75779	88075	91653	93460	101919	104511	92953	98317	64451	93260	89742	89132	62200	93474	98060	99576	225858	219233	91653	92577
C12 carnitine	154583	154049	104496	102013	471457	471532	151599	143270	130264	183569	88486	137348	173066	144823	150804	144652	204462	152143	236276	192942	188865	166558	137847	138497	160707	134208	154583	156571	138968	106052	136199	118388	154750	146739	136219	142905	156290	126022	131064	155238	111178	112888	196862	184658	143637	185329	149593	168964	154583	156480	178968	166084	149068	190104	115352	147082	144101	153686	111008	162019	153303	150092	452185	455474	154583	159343
C12:1 carnitine	24344	23291	13015	12211	99361	101442	27331	30517	14992	23405	11660	18395	22828	20746	21510	24733	26881	27196	46216	36369	24120	25105	18960	23547	24411	25818	24344	26060	21956	13763	25256	17910	24644	28252	21560	25646	25369	22326	22124	28367	17135	17061	35376	32705	25175	29965	19336	26672	24344	25397	32992	28816	30254	32067	14425	26236	24367	25350	16049	21713	17131	16133	85078	87589	24344	21403
C14 carnitine	597208	594537	364072	360713	2360375	2390809	490998	558911	381655	640965	358560	643091	579376	513772	549570	449573	785597	609558	1147523	868297	700153	731333	550920	517892	724273	612615	597208	600910	565031	391933	527123	412256	555732	604310	587487	542656	646322	511239	476426	579369	407102	380944	744046	663247	501187	733834	542792	574068	597208	599371	720866	640239	575447	740510	510736	591431	545125	647845	470994	649966	575761	556665	2319896	2348465	597208	639230
C14:1 carnitine	202035	199573	117174	111787	750726	756956	190624	241780	136110	228069	109513	192846	187302	165128	168946	149611	232510	192855	375549	297787	223871	230574	175455	174763	249716	214911	202035	203549	179692	115139	180975	129591	180207	222567	201462	194855	218612	175817	147747	197984	142269	116529	228677	238385	192623	254422	154320	176792	202035	202472	266803	215780	235977	246169	148502	232119	192014	229976	179902	219570	159442	162004	770783	767601	202035	211498
C14:2 carnitine	62797	64562	50782	48237	282599	283204	66261	83054	50940	80675	36890	72337	69252	58783	57379	44916	64389	52547	106811	81589	62245	66005	54067	52316	68085	64237	62797	61915	61116	43029	59956	42835	55629	66233	54859	58170	66035	51942	46152	64215	44564	38273	69432	69614	60736	74770	51847	56032	62797	59470	73371	54966	64274	68943	44069	63728	57378	54113	45454	54378	57160	54550	270394	269524	62797	62576
C16 carnitine	3348045	3324787	1917262	1931016	9405142	9421680	3109034	3152071	2003236	3304468	1943765	3177468	3661932	3458394	2665822	2775487	4049071	3444728	5128817	4471017	3804051	3365724	2768563	3046757	3569308	2665879	3348045	3386437	2900692	2249747	3454064	2514212	3264664	2962030	3217053	2975680	3338707	2754347	3308357	3591378	2386410	2066343	4275314	4014561	3192025	4285341	3266616	3239004	3348045	3351381	4191978	3718593	3500072	4302919	3119591	3585643	3118288	3675644	2788683	3740061	2846591	2819361	8850049	8990717	3348045	3464126
C16-OH carnitine	53955	55037	31092	30298	293403	291494	44061	51590	30312	58805	38078	51125	69318	47450	57728	48229	71072	54374	104939	77681	66999	59679	40975	41050	53673	45954	53955	57191	50765	34258	48344	44243	48011	46311	51536	47248	49382	46522	45107	53871	35195	38518	77618	53862	42259	72862	44515	53643	53955	55249	69076	62840	44817	85442	83607	54311	44613	59502	33300	65262	49317	50131	291052	289458	53955	48913
C18 carnitine	1813866	1838010	1107933	1100253	3264989	3298196	2332033	2055138	1319304	1831986	1161279	1816457	1985976	2124912	1209200	1358026	2594474	1682410	2469770	2874459	2004742	1821146	1495218	1667180	1894651	1197649	1813866	1798281	1424776	1127275	1791796	1335613	1477042	1346916	1863388	1590956	1857281	1651757	1870372	1808954	1245614	1020412	2016136	1940596	1661594	1910556	1797883	1492569	1813866	1806462	2235481	1988148	2086024	2383669	1797676	2134203	1874339	1910085	1648202	1938799	1283198	1247639	2981976	2971313	1813866	1760043
C18:1 carnitine	1781680	1756162	1046134	1026120	4380014	4374396	1845759	2038518	1239946	1695178	1016827	1414698	1765828	1858140	1052292	1267399	2097136	1893271	2216538	2406276	1920011	1535806	1473600	1873837	1801115	1364038	1781680	1745630	1176670	1089564	1808265	1161666	1597558	1644785	1856974	1785565	2002953	1541011	1690779	1873230	1310945	957511	2178396	2087975	1848215	2079509	1550403	1542469	1781680	1780642	2300120	2136171	2365015	2528774	1489962	2324297	1883791	2196542	1884962	2045469	1296117	1270823	3922432	3874788	1781680	1816253
C18:1-OH carnitine	58472	59056	32743	34906	372965	378528	47716	69884	34731	75269	38534	64226	77504	48010	48438	41465	81355	59332	108257	85132	68904	61414	48163	44831	63185	50633	58472	59593	41503	38173	50778	38969	56211	54917	56346	54242	57428	49476	40358	52967	34350	32211	62397	50377	46339	69969	40134	48941	58472	58525	79599	66307	46474	90919	102210	57782	44968	73985	38780	74275	56453	51871	369693	378590	58472	60259
C18:2 carnitine	981988	959254	654555	644265	4014018	3892338	959017	1196334	656051	946377	547532	929427	1010388	1011815	656976	758441	1014267	1049027	1231164	1117931	1032882	835238	863472	1002334	942838	784602	981988	1016620	747135	743367	1196735	745000	1000748	978889	883579	985982	1100345	861275	1010057	1136428	719690	534303	1277344	1276104	1079967	1166766	959734	932074	981988	979959	1207232	1125892	1145029	1316781	638073	1091082	965699	1075172	949233	1072913	881197	860517	3408840	3478285	981988	987548
C20 carnitine	299105	293699	144624	127998	563621	572801	473305	363255	203563	289698	165907	426216	324213	303539	205971	189237	533510	218943	469832	577196	359438	299960	242912	274849	358455	182325	299105	295141	231261	170147	302050	203374	224176	176138	270149	270777	305967	259894	278726	249283	204086	136128	295393	285195	238313	298418	256057	212553	299105	290372	451479	331449	318474	388270	318055	379599	291138	329098	217971	297663	188114	174470	574922	548839	299105	308900
C20:4 carnitine	246108	218026	245526	232563	675913	710750	276426	291640	159151	200073	126013	215501	267168	282943	154355	184961	333195	203379	243460	320939	210534	200256	241109	229986	248278	134136	246108	240927	166975	132824	206018	147140	201853	176717	258859	230640	263134	180993	232339	243946	212418	158726	346190	272332	250717	358745	227924	209136	246108	249496	373008	261112	295006	363045	188467	295153	257411	254391	215193	259841	267762	263367	692961	673666	246108	234943
C26 carnitine	2895	3378	296	1220	22327	22336	2426	3752	673	4309	2884	1340	1866	2197	2897	3564	1757	2161	1286	1505	1675	2369	2863	2095	1918	2098	2895	2888	2981	3225	2472	2231	2087	2987	1567	3314	1678	1569	3099	2843	2086	2289	2717	3081	3780	4442	2885	4328	2895	1981	2458	4228	2931	3814	3022	1213	2487	2172	2152	3879	844	247	15981	20446	2895	3491
cadaverine	1192	1280	1837	1568	2263	1841	870	1651	1979	3710	1927	1315	1440	1490	2292	4197	477	514	789	514	546	287	518	435	574	752	1192	1361	1797	2729	1241	1234	1773	460	345	466	366	1332	849	915	923	1570	744	1881	866	3538	936	3218	1192	1211	490	568	448	766	594	1148	565	457	740	456	1543	1494	1954	1914	1192	1200
carnosine	7503	8021	9916	8505	7041	6356	19186	57744	12502	19228	4877	11106	11257	7772	4835	6036	5137	4843	15739	6591	3032	4921	12085	4060	7370	4480	7503	7979	11469	10974	6959	3562	7620	5155	4968	5517	3359	3705	6259	3956	4641	1387	4277	3996	6591	9668	3322	5091	7503	7658	5837	4842	3567	5086	5390	3936	4442	2696	2154	2130	9645	9714	6386	6367	7503	6841
C-glycosyltryptophan	50421	52343	61665	61680	88275	86672	46004	47653	46874	68471	46457	59796	71254	47892	52106	47666	64525	46022	64444	51700	49905	71880	54651	47298	53289	50478	50421	51589	62429	49914	42449	45337	41820	56965	51823	50108	49100	37115	49618	56194	49887	52656	47478	41979	53407	54415	49841	36782	50421	49351	54011	45596	40610	52315	60627	46707	53492	45949	39195	48055	65698	63793	71016	72364	50421	44473
choline	16223542	16043376	17392056	17119539	25273163	25455986	16710685	18601581	15902169	20557085	15301068	23283980	18419203	16279498	17379407	15239038	20570971	13420773	20866906	20202861	18390776	19404638	18021163	13113948	18678093	17731172	16223542	16304632	16773838	16201999	15317252	13036177	14648839	15270108	16753426	14770598	15568830	15586764	12370550	12451022	13093815	11779665	13256828	10647545	12174507	12207705	14232297	13543009	16223542	16135599	17515739	15048042	13870617	15960386	15185093	13239489	14764445	12422858	10853210	14514088	19055447	19165784	26729819	26727125	16223542	16094413
citrulline	342549	349793	266874	267404	508585	482985	315169	351873	240546	327451	269069	399452	342143	291938	370646	365088	433873	304145	450010	403832	383471	374728	343348	369090	414262	432009	342549	347349	267294	293729	257131	268524	294233	390257	359445	352525	353112	348787	258520	303450	282084	299621	224341	228627	243604	317741	275979	291925	342549	343014	384295	309610	321181	433369	432575	330895	418856	348056	301105	430292	338170	322154	470606	477195	342549	342638
cotinine N-oxide	6201	6029	5945	4683	29708	27052	4666	6446	8675	7566	5319	6209	7040	5554	7039	4239	8914	6902	6375	6158	5737	7069	8307	5215	5486	5634	6201	6181	9434	6673	6759	6586	5298	4330	4852	5210	5568	4464	5394	4958	4921	7228	6069	5490	5826	5493	5849	5749	6201	5776	5854	6527	4863	5602	4246	4870	4475	6636	3808	5848	5716	4989	23233	27305	6201	5829
creatine	47730355	47531012	50410315	50352148	55708302	55237965	43380566	43394822	42892247	52065246	45464062	50626171	53619564	45251811	46473685	48581210	51060806	45716852	53543007	48184868	48277313	52999933	45463365	46499963	44953577	47285822	47730355	48367644	52283206	47269237	42929783	46047278	47776404	51407627	47128835	46311463	48452655	42666983	48988003	48446607	46188134	46319106	44429792	47038287	46884723	48892222	48897476	41510637	47730355	47093932	47478741	42974455	42926152	47401960	52170916	47172723	50754446	49985482	45665465	47816083	55590362	55452497	55056437	54436460	47730355	47715988
creatinine	1864023	1991364	2434329	2443471	2201124	2269102	1625749	1959299	1733689	2269509	2532970	2234135	2438738	1831118	1487969	1545589	1783671	1469997	1907885	1701968	1862572	2053611	1831701	1705696	1723752	1819033	1864023	1954700	1904125	1914860	1798677	1645251	1915192	2201746	1859982	1828332	1730095	1433691	1651778	1727812	1688619	1733175	1724259	1752439	1714075	2358211	1720416	1440654	1864023	1894599	1748271	1627965	1675951	2012687	2033565	1776781	1931126	1599410	1416923	1470219	2168676	2197359	1947486	1971325	1864023	1817692
cyclohexylamine	131356	131214	252063	250476	138179	138797	154682	85554	83382	60104	99083	55085	92510	60973	88757	71751	103432	56441	79869	63098	61644	105728	94615	66946	77581	71074	131356	131186	61694	58645	94929	77710	123193	86620	48467	46450	125773	107449	140733	86450	120083	47831	96356	38026	89569	63528	1023322	57857	131356	130822	89120	63626	51209	97172	48906	85720	866019	94287	58044	402257	232941	227818	136223	137907	131356	125872
cystine	19119	19253	22602	19265	15143	24114	33499	21657	5445	17126	33104	78277	35487	10034	31685	16865	15052	3902	37067	38543	16131	24687	17805	23098	38969	27434	19119	21242	14627	14480	29525	21629	26561	19677	35949	19905	12454	55955	9629	19206	9141	9139	13351	8469	7889	8996	9933	21352	19119	18496	22480	8443	8765	23059	24152	14162	9724	6565	10806	17992	30442	28886	16175	19825	19119	21427
cytidine	2366855	2355361	2550077	2531697	2589619	2537308	2144668	2704459	2613396	3177434	2231545	3110600	2521883	2217863	2386392	1900218	3241060	2049540	2857779	2808215	3047113	2790036	2586006	2168895	3343442	2862865	2366855	2405406	2574586	2401855	2210767	2142559	2092014	2139289	2214526	2008395	2316010	2024027	2157060	2286922	2191264	2134786	1664572	1645395	1815647	1822999	1968466	1740740	2366855	2360636	2266678	2422859	1923238	2097457	2389572	2006317	2224651	2040021	1576724	2157680	3269445	3141593	2588778	2585757	2366855	2533785
diacetylspermine	3878	3824	8532	6766	11726	11599	3122	776	4622	26570	3382	1555	1928	2314	5270	2977	1790	5919	1426	2235	3281	530	294	1923	1928	756	3878	3463	35909	3301	1268	5353	2577	539	2157	2898	1971	462	2284	3814	3507	14898	2108	2001	2738	7384	1599	1675	3878	3713	2542	1866	1871	2766	4834	6006	1223	1362	1287	3941	7998	8598	5451	5142	3878	3982
dimethylglycine	72055	71667	64355	61541	99720	98609	61820	62409	61091	75925	56853	87547	85225	66916	75688	69509	87325	62935	88187	74953	82646	66842	67031	61620	80249	80075	72055	71949	61644	68014	63403	69248	67719	73006	74417	56680	55179	50322	63652	73763	62273	68593	57359	69671	64807	89831	71467	67238	72055	71757	77114	60341	74032	78677	85038	74808	75725	80146	73641	79238	81533	78972	92481	90812	72055	71059
ectoine	56898	56831	229405	232434	313588	305452	38492	28311	19296	52387	36609	56853	57341	28713	38185	45471	152063	38451	31019	21830	42546	44402	48048	53503	34682	37057	56898	62231	13011	35545	24019	46263	222898	28612	33929	36385	28490	24582	111660	55423	42588	44072	39935	153593	48687	55700	42337	33671	56898	61377	329050	80977	43241	79787	85037	53692	82623	35922	48207	52360	284708	286468	211902	208688	56898	57147
GABA	8077002	8388121	5750279	6120051	8837696	8583360	6040687	6851585	5081872	6340119	4982756	6287513	8121460	6460024	6317658	5672724	13841949	8807542	13535857	14351448	11596568	6218729	4910778	4383486	10781806	7100098	8077002	8093321	6146606	5043078	7093337	5711042	5602700	7874054	8805437	5131296	6477735	6206671	5768361	6704096	6302715	5686434	5507587	7024378	4824403	9319807	6077394	6874850	8077002	8267663	14751446	9160613	11523091	12548934	11309328	15773116	11182816	11988143	8745050	12378486	6554051	6679348	8146765	8000498	8077002	8013346
glutamate	1328848	1336774	1493069	1504133	1907390	1908408	1223085	1126125	1664885	1669190	1340277	1601895	1433652	1195357	1476551	1275273	1318895	1393674	1280594	1196769	1387369	1510614	1409878	1281269	1231544	1565285	1328848	1308441	1267076	1355410	1427400	1384430	1275725	1493931	1101711	1236468	1235380	1167255	1201536	1311860	1186070	1532308	1165176	1155455	1312297	1262244	1087076	1341784	1328848	1360759	1239854	1461842	1068622	1262914	1314798	1122776	1322463	1131320	1022191	1489315	1730114	1728962	1891292	1857573	1328848	1333903
glutamine	11011579	11009873	9770262	9635917	9365609	9404314	12096483	11945289	9454664	14547668	10950703	13741500	13664875	12194881	13070999	12892089	12278809	9088924	13188498	11414157	10102164	11918838	9106023	9947566	12665845	11698918	11011579	11231795	11800019	11128817	10858556	10794210	11398514	13086775	9699737	9243765	9911551	8914083	11770380	12388129	11465541	9169091	9063339	10748064	10860098	11644076	12373011	9765161	11011579	10999381	11116517	9612011	8913768	10433933	10691345	9176677	11210932	9400290	8161225	8868342	12146595	11972863	9003260	8989952	11011579	11003802
glutathione reduced	9690506	9631655	8789489	8495089	15324456	15286521	7041385	9341062	9225623	11812123	9189095	11428039	10383618	9946933	9567977	8596768	10590626	9871281	11651886	9759129	11740097	10654579	10952329	9570909	10555829	10781259	9690506	9703163	9725962	10551323	7029511	9140948	7642813	8513551	9810153	9307419	10604700	7077619	8220116	8337027	8723696	9194593	6831684	9518217	7954077	9529268	9864866	8059162	9690506	10017350	10241774	10165192	8684593	8001293	10657108	10786897	10817469	10319792	7778525	10032682	11146265	11027792	13099501	13526637	9690506	9761746
glycine	150522	151212	153023	154515	226829	236362	138632	159371	141327	173645	136629	208596	175992	135110	162195	147531	161509	121305	184795	150855	167568	176239	176723	130021	158515	173800	150522	153926	158750	158916	146544	139758	155290	157048	130917	151439	132244	138252	138942	157435	145699	117084	115330	127090	129437	148658	143864	128477	150522	151465	162597	158212	135492	149966	161394	125143	160772	145881	104385	141055	182763	182912	226080	218909	150522	152716
glycocholate	17295	11932	1334	984	1225678	1246552	85300	10839	19617	4265	11417	25510	37603	nan	62264	2088	23428	49583	50913	24165	47753	18492	167871	7673	58453	23317	17295	16365	nan	nan	798	424	163	7076	17089	44028	1629	9542	nan	47125	2587	nan	233	nan	7938	7415	nan	203	17295	18034	nan	2175	20094	19644	28103	nan	2099	27559	929	16325	2111	984	1655891	1616892	17295	16355
guanidinoacetate	24183	24953	25426	23803	50304	46913	20905	29200	23166	39204	34062	46312	32741	21895	28768	20122	29061	16752	26121	18208	27033	17857	27440	18236	23489	46684	24183	23930	18053	25140	20529	20807	22354	18922	18619	31197	17629	18224	23151	26649	21234	18291	16620	27621	18360	22180	23563	28018	24183	24223	37525	20469	16969	23834	23275	21332	20659	18832	13077	16742	34671	33739	40036	41953	24183	23090
guanosine	1992453	1997492	2877597	2774863	2034345	2011602	1477907	1325105	1957384	3491697	1941984	1953629	2392163	1214859	1698102	1534341	4358611	1824236	1668176	3204087	2499988	2745851	2509452	1667883	3984746	1966907	1992453	2069391	2933848	3046779	1428933	1550105	1820601	2078655	2746954	1750822	2112148	1480608	1553499	1971497	2284706	1461885	906371	1234813	1288733	1351358	1282236	1111931	1992453	1947355	1320851	1379620	1641024	1763616	2343602	1383054	1552436	1802957	1427413	1264802	3553422	3455715	2763634	2717746	1992453	2084289
hippurate	27490	27071	78248	77637	43466	45307	14102	26957	13557	28353	119698	25830	30273	18642	32340	16910	24588	21776	26465	18606	27972	33255	36301	26753	41742	50129	27490	26768	21012	25598	30301	21100	17116	21849	28131	25270	20964	19198	17647	11111	7908	13485	21495	29390	21290	82866	31098	15085	27490	29347	15519	21071	12910	29635	18684	14364	24741	17286	20787	28564	98502	96535	58840	57287	27490	27449
histamine	3559011	3588555	3377188	3376030	6495647	6482552	3597898	5551401	2085274	2771287	2750881	5723403	4042229	3213049	2916701	2285626	3586287	3638882	3152874	2806843	2562987	3133436	3791636	2565958	3124517	2960087	3559011	3636387	4070873	2903997	3152159	2743390	3185345	3367534	4219277	3466024	3299325	2472546	3088766	3138201	3119549	3216176	4712238	3572772	3689115	3642183	3344828	2493081	3559011	3606329	4207031	5239600	3182165	3616028	2800113	4271514	3927401	4664433	2892925	6683656	3723460	3619250	6460078	6333957	3559011	3562109
histidine	535687	549194	544059	544840	702422	724600	700109	722498	484663	782912	611124	823497	684053	555964	576507	678106	588967	365941	718790	597683	474146	650699	505885	506826	611358	565591	535687	556947	501486	528866	432435	500296	574701	546711	514812	494068	486496	474536	488595	630428	464167	409779	456023	426818	478046	537803	516832	468840	535687	561233	533763	451766	461482	634667	743977	471380	497545	397926	349537	412205	792078	793573	637882	634158	535687	554565
homoarginine	10863	11768	10158	9722	10152	10257	10432	9950	9023	16000	11077	22397	14936	6107	8956	5728	18290	5864	13299	8429	11140	10022	7326	11972	14545	13662	10863	10753	6450	9091	8050	9680	12426	10645	8868	7907	6462	8048	7651	12740	8190	5643	8006	5254	6602	7437	7664	7375	10863	11391	12248	6322	10009	34680	30838	16441	14304	8731	11878	5724	16142	14723	6828	6537	10863	10523
homocysteine	403516	384055	56019	57192	36012	59009	260417	405975	278454	418576	311017	664238	488189	415942	467535	416226	392670	266812	563553	374066	409481	289370	319115	388506	338810	460604	403516	373247	424545	405433	257329	425337	332929	337865	341649	332090	406079	214331	537542	524656	459049	467419	236047	526889	432648	604176	518986	443716	403516	473027	518871	474573	316807	224249	290501	531833	523624	425984	249665	300482	111882	116458	25149	26939	403516	400709
hydroxyproline	478736	477060	537508	537005	867063	864282	469257	455604	508632	645476	522304	739773	640324	479790	643234	513034	505058	406742	487108	413091	425025	523740	467233	440455	440052	504546	478736	480980	562513	608291	441535	477962	481430	486822	390819	431223	395325	350311	471994	526305	474778	451947	374563	432786	456423	468721	495272	452465	478736	488852	464253	486683	370235	459970	483421	397888	471802	388504	324009	435463	672359	665448	849389	858933	478736	484693
hypotaurine	243202	243617	212939	213028	387831	389793	190736	182986	151243	256824	203024	246769	318350	232397	312818	208779	315612	266911	338017	295104	267910	338424	322509	228707	269314	274917	243202	242302	213159	212050	204191	235488	200860	225626	232700	241601	236071	211963	204376	205860	211954	211941	240092	202631	180642	217426	214471	195630	243202	243096	273462	244339	213908	215854	267954	270318	293963	249658	192025	258249	265156	268567	377501	378348	243202	240718
imidazole propionate	306516	301475	1267842	1239471	263426	267497	415890	256936	112170	349793	172128	509138	598383	702990	968309	333512	116197	67615	750534	484079	101259	209196	109432	246977	80637	102621	306516	308264	242742	964072	261453	444150	362795	267902	350972	115936	42946	55293	230725	390094	166702	96897	141012	412066	188400	1244479	129060	195419	306516	310664	146653	88804	109102	51562	100846	572986	152000	134203	349177	41566	1290187	1266983	235033	232108	306516	305320
imidazoleacetate	47146	48497	129486	129955	39223	40540	126066	129623	28651	51917	34522	39498	40692	63295	43896	54417	34329	42240	50185	36566	29392	35211	49242	27015	57577	27773	47146	47905	44830	41069	45433	32463	48267	42882	58239	41420	26200	27613	32591	41012	49936	56360	33546	49582	71864	38688	24447	33517	47146	47823	51636	109755	45859	58958	12717	35362	50827	63140	45754	60727	116382	118835	49891	47658	47146	47922
inosine	12858312	12922230	20881744	20901712	10319062	10193663	9708996	8528049	12202646	20254995	15830763	13907543	17723529	9885064	13942222	11624026	18119495	12240368	12750829	15107958	14090223	19412506	15438283	9332308	16862334	10697733	12858312	12804141	16965561	16274317	8901579	10138846	11372263	13459297	15499873	10420361	12300112	10067868	9525733	10696664	13825855	11543242	9459508	8881525	9990940	10901602	8505689	8453094	12858312	13129507	9153476	9678293	10096132	11605424	18398310	7823368	9395717	10454606	9545303	8407979	23480524	23288793	12467468	12626956	12858312	12756763
isoleucine	192371760	190877093	159938039	160996464	361137319	380703787	176838316	198329903	160080917	216816885	176390365	309309314	233228116	170340154	223852058	161948818	246708076	152291526	356949644	268366660	211139962	256530726	200904855	163513657	261687562	209042945	192371760	199441105	219631562	184135538	145062849	165954181	161433489	206371102	195547653	166452547	194221980	158005428	154943846	183401049	145162730	159551369	138342367	149513426	147553091	196824257	170590911	125295597	192371760	191233146	208485879	153806264	181975545	200000351	219666692	165010738	194971751	164557087	137957177	204435436	205717440	206085530	384951533	380509257	192371760	190584661
kynurenate	41055	41954	347796	331372	75450	75238	136029	89343	10002	55116	26386	40248	11307	20156	38401	19400	12676	71724	162657	47695	17561	8523	14471	29616	70487	31158	41055	43382	20026	32212	64852	28169	42249	67202	40995	31193	40214	40757	11125	11675	10850	41370	18058	16433	5929	12391	21595	10266	41055	38883	6788	48742	85755	164947	76685	16346	26830	16433	38400	30882	389699	359977	164429	161866	41055	46331
L-alpha-glutamyl-L-Lysine	480954	469765	427304	381136	1040853	812321	486297	571335	272153	768660	534914	574144	465117	473724	441598	535251	570788	360536	541507	525977	368388	447736	435653	400008	613875	480106	480954	493554	366346	421161	385694	407721	525385	553686	488163	451983	523791	355061	392369	517261	437313	376255	357364	450099	380883	628727	402555	405491	480954	606018	521466	476046	533736	601000	629215	492252	648208	480198	397316	501812	620900	544791	833291	839117	480954	440817
leucine	301776433	299423196	273404752	269736121	560829832	559179773	280538120	311482612	242584276	355982298	279218780	471360852	351248895	272725990	339126359	254773037	402640505	239709390	537260464	385630796	325488382	382090006	311718151	253307480	404241381	330052360	301776433	300683778	330272387	275276828	227233956	263185596	259648179	295582229	301533518	264683231	288075455	244787633	259439448	295302587	241796840	252494448	213587175	243374869	237224484	301683518	279456946	203243331	301776433	307097053	332449029	254642593	262564276	313720078	343650241	268858303	309466300	242954107	213519254	295332376	343382881	338850290	588496793	589455007	301776433	303534650
leu-gly	11908	12489	12644	12831	33116	33415	12299	14198	14888	21864	15476	20972	18335	15564	18894	12482	20844	12735	28489	17712	15072	16032	8413	6455	11316	13511	11908	11921	15603	11207	10318	11774	8895	10469	10994	9816	12337	8194	7134	6955	4380	9522	5588	4834	6128	6568	8785	9333	11908	11826	9833	12470	9318	11145	22664	9331	7112	9321	5718	9067	14507	14879	30188	28856	11908	11209
linoleoyl ethanolamide	188872	180780	191057	177805	175404	164017	137918	285119	165473	236874	110282	105027	117295	258783	116927	264413	215844	265610	137494	193366	256706	162771	272231	206975	213462	151511	188872	184137	130608	274597	185534	267982	338508	150648	224959	268034	269613	165669	137558	156633	158789	239424	178784	338641	233297	117249	96172	152242	188872	182207	359881	136110	159924	119207	167676	179541	110328	113937	113354	115359	142309	132193	176635	171074	188872	179720
lysine	1982436	2048308	1727188	1717107	2450049	2513919	1871975	2042179	1397428	2700102	1990126	2626118	2352181	1688741	1760759	1720411	2391759	1444784	2777417	2280606	1858291	1987258	1703432	1571147	2445490	1862390	1982436	2025560	1878450	1864947	1370209	1517842	1959250	2157661	2275446	1648213	1774917	1322062	1639897	1975155	1546699	1695079	1225724	1542879	1644456	2236873	1806008	1355979	1982436	2011739	2429801	1587923	2187703	2651980	2751563	2591417	2351305	2126596	1731582	2265197	2213951	2207742	2285309	2255115	1982436	2046275
methionine	314559	310276	352094	358633	802931	809860	288624	341116	300091	453540	335311	534577	382285	267130	315820	274359	360782	237222	452330	330588	287931	408801	345055	274463	334422	341729	314559	315056	349016	328454	227211	259097	276420	304882	306093	275985	277424	256100	254578	320327	253937	284012	216072	251219	286423	320139	293014	235387	314559	313560	295385	263892	249280	307814	398940	264513	293981	268906	220435	327608	448702	452309	868883	869200	314559	315191
methionine sulfoxide	713521	811142	1387311	1230923	1915683	1941556	936307	1137388	1000008	835486	791763	1180502	703762	621275	767107	868585	648899	654544	809517	593229	615864	842403	948324	868921	651057	726640	713521	772585	946221	895410	453103	786534	745215	780000	689284	785939	666714	518088	569115	674733	722127	866946	491363	552650	785957	583457	744139	526082	713521	683603	536746	656421	546697	619717	857048	589503	777937	562323	395235	628540	1429151	1538816	1600437	1692894	713521	662993
methylguanidine	5668	5688	6003	6089	5018	5012	3984	5925	3424	7629	5309	10576	4672	3971	5293	4247	4937	3394	6148	4600	4914	6300	5846	5666	6423	6176	5668	5702	19592	13449	3335	5018	4896	6076	5449	5213	5323	4553	4145	3732	4998	7082	3111	3135	4496	4666	6172	2791	5668	5999	5479	5603	4081	6680	5783	5050	6568	3988	4965	6065	7495	7372	5547	5594	5668	5959
methylimidazoleacetate	446965	446660	429053	426237	40430	40042	378174	546625	388588	999440	604778	1038137	421975	556901	449281	277464	211861	251127	217035	171478	327240	161230	175195	191570	444711	345881	446965	459132	1443401	706560	409020	740757	612859	387951	221974	268774	295603	212964	538283	468513	450831	1599786	208277	315886	473824	382172	500581	268010	446965	449956	256226	251414	227307	192175	341947	538384	273370	364853	424475	451371	414042	410159	43051	41862	446965	453557
methylthioadenosine	1093420	1152315	809370	830702	1349891	1401814	470026	687362	940920	924025	980069	1122521	1305146	1021366	954845	741107	779999	1031671	1010503	918893	1299552	1363826	1440468	1101991	934224	956351	1093420	1158945	712973	1059834	973250	997552	1059589	1801923	1087825	1007060	1027076	888998	623525	723856	748555	757529	1161725	908826	882336	1008102	758162	821800	1093420	1117387	770713	1280250	1067091	1776187	1175621	1020785	1150770	823722	663905	829939	1055899	1064942	1395559	1407551	1093420	1130227
myristoleate	11496	10164	8150	8590	3210	4328	4536	16287	8128	17543	6341	5695	5527	14095	8789	25118	8668	15349	9787	7443	15409	6518	26228	7642	8917	7767	11496	13164	9264	14612	6716	4264	19292	8885	14556	16034	19923	8629	9071	6749	6527	30644	6793	9276	8176	7368	6551	11336	11496	13260	14274	7224	8878	8931	4631	9918	6311	7821	9981	5704	5003	4999	6153	7053	11496	12490
N1-acetylspermidine	1442046	1440290	1137927	1160173	2232057	2240438	1347487	1131922	1057521	1528081	1317387	2508749	1781552	1407650	1885487	1319899	1752562	1277186	1797070	1693757	1722146	1403568	1314658	1269089	1374199	1246426	1442046	1411035	1425263	1267175	1211480	1441011	1418768	1233518	1273672	1158481	1337684	978414	1229969	1523203	1198708	1273126	1342115	1210442	1242782	1811639	1468967	1242100	1442046	1437849	1532387	1530973	1115786	1345850	1872165	1898855	1472894	1296773	1002717	1316761	1554165	1544389	1993689	1971154	1442046	1433468
N1-acetylspermine	785778	777899	899478	792892	1293274	1251753	757177	919622	674887	1410435	942643	1693699	799626	569090	1083485	862835	989088	696140	1248588	1159876	1035997	739223	592161	819463	1157203	584333	785778	879767	816577	702944	443526	700279	717656	613255	832007	525571	630664	291805	446192	880969	611653	1149200	308820	279459	426670	1328497	623640	479435	785778	779774	876100	781016	653211	825900	1385308	972085	774608	598751	511749	659071	1209017	1216722	1095728	1066431	785778	833381
N1-methyl-2-pyridone-5-carboxamide	50519	49974	54190	53248	35843	36770	28875	39204	32548	50513	45845	47186	55764	52521	48770	36841	78603	36739	91878	71847	71719	63560	48872	42257	87699	67206	50519	51452	41703	57768	49703	49521	51170	50275	57305	44521	54823	44317	36997	41233	41968	38479	28588	40053	31032	67913	28938	41679	50519	51282	51751	35253	43378	62108	60240	58681	49787	47380	49786	52862	59989	60158	32088	32154	50519	51225
N2,N2-dimethylguanosine	483375	575674	469645	574377	1520965	1440438	398457	648399	519199	673824	467454	836476	588507	414976	480922	266964	725371	413789	721249	465649	556534	572291	464016	383323	467185	616718	483375	448916	397018	468349	473519	478821	384584	394313	477551	438969	411388	366404	415980	393903	288818	300328	249158	272609	299841	464599	310646	369801	483375	404607	359101	429479	327053	537504	450904	292560	458928	409155	259186	564824	948554	918441	1565185	1478588	483375	507847
N4-acetylcytidine	112699	110286	43874	42296	56044	56297	50297	76876	59841	110925	70819	96449	72261	50490	57654	40728	217185	144928	239748	150527	188370	178426	146496	120865	149307	171418	112699	114108	112630	64297	72731	70873	68336	126421	145529	134168	150596	116171	72101	61624	50390	51567	58568	46700	62425	71867	64262	46133	112699	109634	166117	159163	140163	175317	159673	132503	158050	167248	103962	157910	58488	55344	55797	56445	112699	118481
N6,N6,N6-trimethyllysine	448450	455412	454362	435748	634596	645112	390491	481362	299016	598229	345144	681510	528505	402960	492075	452585	533038	372274	643904	489527	435448	469460	447127	360515	484796	444041	448450	482482	552964	483881	451877	478202	633658	449817	451148	462609	400180	347959	422162	514983	380571	436019	454684	385057	444553	511833	511149	366454	448450	441159	444516	366455	339713	456338	478560	413003	446211	429646	327528	402844	617832	609387	607753	624159	448450	463258
N6,N6-dimethyllysine	7669	7952	9788	9881	22006	20125	7335	7579	6701	9613	6738	10814	9207	6111	8980	6490	9958	6662	9540	7603	8677	8359	7735	5992	8688	7692	7669	7558	7620	6733	6222	5961	7128	7716	6967	6326	6364	5494	6889	8412	7691	10449	6179	6516	6466	8269	8032	5774	7669	8207	9216	8047	6691	8937	10446	8208	8684	6784	5626	7721	12879	12479	22275	20593	7669	8078
N6-acetyllysine	61045	56783	48694	48261	97281	95956	41993	42126	36402	65025	52713	70485	50134	45904	111322	87381	59323	40266	91818	77913	62192	46387	39351	49862	64323	77985	61045	61522	80157	46452	60758	60642	53295	49026	54412	53386	48479	72976	51831	49936	44406	92502	39430	48367	46679	65857	56278	93688	61045	62025	88542	42700	56258	84193	73848	83852	63349	55783	51248	94499	73436	73612	78883	83732	61045	61771
N6-methyllysine	19386	19737	20273	20048	58713	57907	18403	14478	12007	20038	16238	20694	21863	14619	18202	17243	25640	18050	30213	22594	22506	23568	19678	18973	26014	19795	19386	20289	20785	16092	14113	15487	17652	24433	20232	17018	18170	15100	13701	17433	16878	17239	13208	13481	15859	19886	16384	11833	19386	19873	25121	18562	19334	25585	32107	19697	24227	19868	17857	23563	23939	25795	66478	67057	19386	19341
N-acetylalanine	9241	8921	7868	8013	11219	11275	6531	7140	6553	9432	8324	11234	10042	7409	15172	8440	10631	8830	12802	9159	11828	9276	9132	8272	11414	10201	9241	10029	13696	12476	8876	7972	8275	8338	9663	8226	8323	7209	8708	9938	9787	8147	8400	7586	7903	11021	8361	8243	9241	10006	10960	9832	9155	8948	11186	9974	10109	8513	6985	7447	9547	9475	10836	10883	9241	9442
N-acetylaspartate	33399	33090	39901	40497	45529	46199	29722	28183	24618	38749	26194	37033	39853	26502	29937	26258	41309	28872	38433	26426	28351	36375	34548	26054	34036	42111	33399	32870	40633	31227	27019	25172	33237	42121	33559	40797	29323	27104	32416	28134	33636	27559	28085	36633	23459	34742	28649	20421	33399	32044	39723	30729	24834	34118	35829	30193	29869	47506	35390	41366	48554	45914	40084	41360	33399	35301
N-acetylglutamine	18467	17052	13818	13195	8757	9642	15945	23214	16220	31487	28405	29121	21927	20367	44746	28515	17387	10333	32423	21995	17941	20868	10131	18057	26130	29133	18467	19850	22435	14756	18839	21519	14919	23007	10794	16246	11760	21013	18089	16712	14359	18807	8516	12549	14478	19431	14646	23242	18467	18476	19351	9722	8530	17334	11697	8613	13459	9568	9149	12626	23325	24173	6433	6885	18467	18190
N-acetylhistamine	12712	13940	17492	15294	26701	26317	14651	17681	13433	15930	18689	25584	14956	14621	14400	11250	11128	7697	11673	13909	10246	10671	10590	9951	9229	9823	12712	12199	11677	14855	10218	10913	13543	11454	11457	9352	8688	7668	14095	10376	13294	16172	14018	12767	12090	16597	12463	11939	12712	13718	10033	11271	9783	13265	8504	8697	13692	10062	9133	10874	17042	16802	23150	22968	12712	12650
N-acetylleucine	86990	84490	44569	43842	47951	48032	70258	61139	45568	65146	176190	68621	143601	45444	99615	81107	60531	46923	79821	105189	107873	125181	79121	126802	156345	80398	86990	86395	84021	49854	90233	68375	106061	45981	44570	40780	54224	97666	146795	128228	127812	68976	56560	58123	124816	66514	232500	52224	86990	84822	48826	101373	40143	58977	56354	96912	54574	102128	54665	56330	38532	37271	34243	34722	86990	86361
N-acetylmethionine	50915	49639	48114	47839	9	11	46483	43985	41530	84345	52545	59522	65220	53049	60689	44190	49015	41886	64927	53690	61940	46844	34770	39085	86251	55023	50915	50661	101256	51333	34403	55621	36385	38493	45872	36292	39304	33883	57175	48209	57634	99031	34687	41171	38036	40522	39472	37153	50915	51934	34260	41497	34021	36640	53502	66716	43808	44902	40736	40498	40470	42048	13	13	50915	50869
N-acetylornithine	88055	89731	106334	107831	150389	153116	75565	90766	91730	123405	91235	152409	105348	90656	111743	100714	71916	55685	136994	79233	77986	97193	81865	68100	66768	93388	88055	86069	87119	83694	80360	92127	91187	75405	79464	71594	79226	79676	85730	90029	76641	97991	77979	72003	71136	107346	89368	101380	88055	84916	89417	66538	66729	72543	86968	64105	87336	59744	52641	84600	137233	137170	133636	130183	88055	88479
N-acetylputrescine	19978	20201	15382	15735	63250	64346	17223	21261	18008	20328	17890	27196	23189	23454	21996	15838	25589	26501	24687	22558	28331	23848	22061	18262	20759	23728	19978	19821	23580	21312	18477	17802	18423	18993	17234	17779	20326	15313	18030	17320	15730	21222	17273	14947	16134	19642	19377	14804	19978	21002	19155	25366	16165	18214	22451	19482	20501	16720	12197	16819	20196	20314	65929	66462	19978	19917
N-acetylserotonin	8317	8026	8744	8091	1154	1171	6767	10892	8158	15036	11199	14831	5557	6182	6036	4215	6759	4642	6723	5450	6122	7529	7116	5254	7494	7130	8317	8077	17107	6492	8914	11580	3833	6011	5217	5509	4249	11316	6266	3692	10095	29712	8768	2447	4884	3675	15737	3676	8317	7995	4393	7187	2536	7529	4157	5458	14841	6051	3365	6683	6955	7234	2272	2588	8317	8515
N-acetyltryptophan	2069	2264	1078	1406	2963	3254	1958	1841	2123	3170	2024	3051	1548	1068	2754	2038	3107	2096	3662	2632	2610	3092	2317	2044	3531	3375	2069	2311	2622	1953	1221	1680	1448	2586	2140	2145	1925	2200	1291	1439	1455	2664	768	902	1441	1597	990	1697	2069	2201	2331	1892	1335	2128	2042	1781	1962	1753	1378	2047	1611	1329	2135	2235	2069	2328
N-alpha-acetylarginine	18964	18765	19428	18260	37114	34104	14097	14015	15485	21861	18941	24908	17008	12277	39334	24855	17094	12045	25650	18970	21744	16133	15978	14741	17790	31001	18964	19330	20837	15809	19519	17843	13320	14254	14846	18526	14941	27685	15280	16902	11282	25808	11155	12279	14165	15838	14260	27664	18964	19011	24390	12681	13203	21536	18446	17107	14084	14511	12766	28068	34093	31583	29745	28205	18964	20584
N-carbamoyl-beta-alanine	73662	74060	17523	16662	14465	14178	28285	66592	20701	37240	26649	40323	63887	17060	127029	37122	41905	31986	187839	236276	110434	71541	49160	80987	84388	44177	73662	75955	154050	269151	89840	26341	45725	51877	63233	27870	30767	48072	36255	99553	59299	17704	27025	76940	51816	155517	23401	36593	73662	73994	61480	23226	245236	107524	96088	68687	99573	31529	33102	36752	22705	22835	13700	13051	73662	73865
niacinamide	20121889	19926223	25881489	26183186	29225077	29124743	20642103	19991137	22158384	30988510	26553597	32219642	27641742	25667682	28454969	23137194	30913361	22848281	32296376	26747237	23884416	28463782	20206249	11591136	19021516	15095735	20121889	20331314	20811260	19043444	16923501	17613851	17667833	20894578	20856621	18524560	21126866	19697890	16429470	15153354	13311607	11968606	21579053	11390845	13587307	13653237	13771987	16214755	20121889	20382285	14428839	17851844	16009873	16749891	31545997	13873048	12671036	14167676	14071063	14405607	32194285	31399000	35854004	35336019	20121889	20022786
nicotinate	66082	64069	42248	43431	2529	3167	51903	135495	218016	255998	168435	37623	29689	40179	70374	43607	20832	51179	59672	28990	69810	64214	62403	43945	99452	107547	66082	66274	186752	37632	24642	57629	31359	21301	40533	19421	38657	27032	26060	62828	56683	234097	28129	22342	66061	83091	21101	32318	66082	67907	39362	40601	37354	92279	45374	65206	28604	46166	22798	46782	24777	24020	1926	2302	66082	64898
N-lauroylglycine	29788	28825	31247	33060	37083	43365	14634	53880	7981	26061	12026	9295	9777	25012	19130	44480	49127	26543	11591	39651	36573	40134	29519	36329	64892	27660	29788	30524	14834	45527	38501	71479	67135	9725	34588	26210	56365	11465	12723	14675	14803	30737	34582	83533	66278	17631	31052	17829	29788	31870	38392	16369	25263	15553	10144	11794	46548	13430	13470	10355	50420	49746	14310	14154	29788	30159
N-methylproline	295315	305819	507843	496301	442417	451222	446487	470454	224667	411709	470159	578332	421708	713810	378329	536446	66408	52615	78680	69807	64799	45030	47117	39590	54821	36187	295315	309847	71672	65538	33220	57314	57827	37135	68323	43478	62531	32259	805340	439601	297658	786496	252835	493627	352111	787278	425650	284876	295315	297420	330887	289356	371231	415168	583024	844205	391631	523436	103476	460253	668045	652350	286863	286384	295315	294469
NMMA	104945	108709	107583	103024	122180	126164	111182	122470	99353	177867	119910	177248	141690	95634	120500	136149	129990	66328	159996	104147	116009	109904	90758	102680	106806	103840	104945	110275	92007	93655	79103	105922	120156	101096	112987	76460	84393	77211	94470	101434	97473	107006	72089	91442	84196	145519	103943	81390	104945	108255	101915	71690	74734	111674	125797	100298	103700	81300	68686	77561	138065	137804	112547	114635	104945	110022
ornithine	65622	67511	90753	92995	67099	67679	106991	108494	94828	97585	81453	115842	87106	65703	102360	79027	65072	38845	91836	73091	61043	75255	63674	62665	74511	78286	65622	67442	68429	60417	57856	61530	73029	63331	53925	60750	53859	62087	48697	80423	52068	47169	53841	43240	52136	74223	50859	57422	65622	69846	64313	49639	44184	86276	81403	50878	53136	41903	44238	45677	136158	137150	58074	58696	65622	70242
pantothenate	12279537	12365606	17567856	17547309	26012784	25869072	12616731	11091265	9412275	16407670	11672466	19999467	17299237	13202840	16304824	14650821	12885040	8112959	11425273	8534646	9684565	10757299	8820705	8655995	9561078	9446154	12279537	12226225	13969466	13217138	11475145	14090121	15611900	10011070	8083699	8783878	9326166	7126482	15413573	16159457	15907910	13879450	13961541	16600130	17279550	17111052	16307943	13458563	12279537	12227111	10340394	8182855	6373342	11459325	9850575	11195753	10474910	9107319	7507878	9782749	19293303	18925652	23180517	22963169	12279537	12276720
pantothenol	96369	96807	9359	10965	3143	4193	806238	1123287	131773	61392	37741	12030	7246	305801	23576	955389	34499	7121	25655	21661	25838	35400	62821	30431	203126	162594	96369	92439	15018	14196	30711	28263	25556	19576	21714	13462	12718	44430	12534	29653	18968	16408	12137	18164	19461	12653	16295	17997	96369	94297	16564	32674	23526	17434	8243	19649	13045	24175	14222	12624	9267	7514	2801	4274	96369	95611
phenylacetylglycine	5340	5240	6801	7440	2114	2803	3061	3972	2637	3992	8382	3829	4930	2745	3155	2044	9171	3152	10857	6834	6161	5980	5019	3243	3642	7737	5340	5568	3889	2076	11733	2442	2166	5063	9283	9618	4485	3879	2859	3057	2554	1760	2933	6387	1813	16487	2981	3035	5340	5674	7424	3753	9930	6819	7476	8547	6992	9689	6127	5032	9122	9487	2675	2868	5340	5320
phenylalanine	168977345	171024515	166672513	164144591	392054030	398232222	162601809	204301880	141671069	216752270	164662232	278048978	205090189	155088594	189419847	159804770	203855814	120066485	266528713	187790518	167748824	196934083	170408958	139704664	207685527	177398701	168977345	170967332	176870520	167679314	135841130	139779119	154843877	153774663	172817733	136894064	153379856	128990958	152188069	174706847	155995274	145061090	123120418	147636705	141890702	180584916	164082235	116434811	168977345	167734280	173875342	146089514	129201665	154249474	178920589	145979606	156547548	134231812	112165589	142369674	212703067	209236678	430851703	433110875	168977345	166914599
phosphocholine	1607616568	1606524771	1629204261	1606790370	3823143780	3777247401	1104868452	1416927155	1450769579	2005959812	1441597039	2431782849	1724027145	1353410789	2088940697	1458174975	1977180145	1636370051	2212391220	1345335597	2055157139	1950942147	1875232941	1493388085	1517393071	2268484104	1607616568	1646534566	1544653754	1723140649	1361132418	1368857046	1574725225	1828594018	1419677405	1611829311	1547894902	1284243650	1274412278	1338559304	1367331479	1505927528	1186867416	1213903196	1375659659	1647187405	1397773235	1364805452	1607616568	1629523047	1555051686	1680411163	1208297905	1556542112	1865635653	1330855653	1859658455	1394366775	1097220066	1658014738	2305473888	2295145495	3547478493	3505766767	1607616568	1610103208
pipecolate	72146	72632	81488	78813	119204	119881	45930	54220	44020	67674	49927	97233	122241	127796	123385	99119	143729	67370	92205	74659	77392	68201	59894	57623	65676	63417	72146	70538	98633	81854	107855	139259	114229	129040	54302	104826	109305	52481	59174	56184	55913	59474	47951	48314	49019	109521	58488	60675	72146	72919	73481	51702	109912	58211	120648	55630	60005	39395	48913	72268	100139	100204	105053	105166	72146	70532
proline	3510723	3528301	4220386	4216739	7391410	7431816	3273516	3547213	3464471	4346200	3229437	5396605	4191588	3183698	3855838	3102670	3964723	2923297	4273244	3276588	3471964	4101571	4089364	3503826	3633752	4120295	3510723	3523824	3761821	3596139	2874481	3087102	3339293	3350732	2989077	3266220	3275032	2737974	3136230	3411662	3208568	3146634	2862817	2685506	3372491	3267442	3323830	2867632	3510723	3460365	3125673	3908869	2600691	3369078	3694249	2871712	3672965	3138553	2377088	3471633	5254042	5255349	7415082	7261656	3510723	3545337
proline-betaine	1119104	1151158	1362441	1346127	2519360	2497285	1065546	897773	818616	1258924	1011119	1537617	1399180	879700	1294024	1094511	1198424	948809	1415418	923383	1454347	1474182	1555621	1000186	1093605	1629994	1119104	1133911	1252024	1331670	744059	904845	1122618	1235260	1000286	1080840	786582	1082248	915636	959820	1083432	968422	811608	915511	1022471	1383177	1064999	1011489	1119104	1127696	1186887	1269153	890766	1402024	1402840	745419	1301311	931890	822599	929947	1759769	1741734	2400164	2408546	1119104	1117226
pseudouridine	1634874	1649287	1858577	1701589	2552653	2482175	1270385	1489520	1237906	2031253	1504521	2389565	2204909	1307564	1468179	1167135	2572894	1579022	2984545	1802148	2130981	2070983	1860726	1249811	1786710	2070311	1634874	1691094	1360121	1442295	1312832	1276870	1531953	1672003	1709809	1547984	1410898	1176659	1462098	1485545	1359776	1389579	1193319	1358095	1371421	2103299	1484605	1184575	1634874	1629115	2036555	1642702	1438818	2103528	2090999	1494765	1967512	1592331	1172639	1731008	5668744	5460195	2214205	2049857	1634874	1643486
pterin	2678	2365	1635	1856	nan	nan	932	4135	1580	4861	3227	3905	2396	3102	4035	2500	1409	1926	2785	1483	2046	2383	1826	1103	2057	2538	2678	2761	2944	1881	3060	3443	3578	3793	2277	2304	2448	1407	1985	2678	1670	3747	1812	2202	1976	2033	3344	2940	2678	2666	1627	1707	1482	2463	4897	1631	1957	2452	1713	2568	3167	2949	101	nan	2678	3488
putrescine	112994	113415	87566	87020	223567	225196	99650	108186	101302	112907	103190	138823	123599	119742	132135	96666	130972	138873	128305	122836	145971	132237	125147	104318	119049	132984	112994	116094	115982	119595	113858	107909	108040	113803	102267	105418	118008	98040	103659	105242	99018	105568	103614	95018	98667	103092	108637	102516	112994	113327	109265	133169	99960	112962	129611	110133	112963	106121	85313	103156	106529	105851	229961	229344	112994	111656
pyridoxamine	16601	15396	15395	14941	4270	3413	14681	11646	20529	40717	17737	18907	14134	14027	27185	11777	17208	15797	16772	16613	17035	13713	11703	11272	17710	17013	16601	17230	24710	11082	13585	16805	9233	14520	13341	16734	14203	10549	22592	21330	14629	53612	8654	11969	10733	10683	11774	9521	16601	16659	9782	10088	11394	13550	11893	24064	11815	17803	13662	11527	11123	11730	4221	4276	16601	16546
S-adenosylhomocysteine	84310	79021	77017	74614	24998	20902	75972	80724	83583	129532	101105	136496	99241	93623	108075	74023	107377	74665	105552	90998	93031	100218	76123	64398	82537	92416	84310	80864	86535	78129	74951	81758	77540	69860	84126	68161	85206	74364	85031	78566	68656	51884	65030	64331	68565	62674	77767	76680	84310	85704	72510	73358	64473	54553	98866	89655	81690	63630	56875	50165	99688	96492	34947	34492	84310	83033
S-adenosylmethionine	210706	209745	210624	215536	586082	602609	123866	194769	224438	242916	226835	253314	239747	206428	276871	213835	216755	227805	261417	197584	269754	257104	234695	198923	205351	217628	210706	209114	173770	221357	200500	202644	225570	250431	177798	166138	189969	134349	162451	202240	193512	186820	177674	169582	173647	225231	202162	173217	210706	210462	188217	270163	188460	252491	226181	169906	216537	206371	160407	221714	300977	295201	561421	563144	210706	213821
SDMA	9282635	9626806	8631360	8256666	16246562	16198905	8491976	8770865	6124083	10648708	7575446	11177186	11583192	8436106	10213365	9822329	11821435	8415684	15401123	11315948	10913514	10390565	8712614	7653869	10000262	9802450	9282635	9872928	9373680	8549536	7818049	8183354	9635854	9386685	9758754	7829101	8237899	7303076	8388228	9402426	8469823	8183001	7442785	8168287	8102953	10338801	9325522	7427863	9282635	9243704	11617028	8176813	8908560	10397463	12784103	9651418	10356436	8910149	6842934	8928208	11410103	12245536	16137056	15648798	9282635	9266691
serine	73825	75579	72885	71114	83440	79755	84151	84515	76696	86093	76590	85644	80799	67688	72827	70911	74641	56624	74377	67969	68472	83920	76853	72449	69395	83487	73825	71697	63565	67925	62175	62695	70375	83675	68304	76308	71799	65213	65697	82397	70071	62482	63107	67868	74792	79505	68734	68412	73825	77998	84565	88428	72250	81981	88312	68621	78977	76688	62534	68575	76641	77476	82818	79220	73825	75771
serotonin	1240141	1249025	1057868	1041581	2747869	2686393	949381	1268518	1168876	1423425	1102949	1714765	1342603	1180325	1322998	952892	1527992	1122463	1697523	1216005	1451134	1692900	1687720	1037303	1316299	1326788	1240141	1223237	1852212	1216710	1299215	1255683	1099933	1093504	953353	959047	1126978	916638	1225182	1096368	1025177	1302196	1213233	1046478	1114755	1132144	1254005	1029006	1240141	1259136	1186439	1345881	928132	1127560	1030975	1066503	1131625	1243444	777123	1290467	1498348	1420547	3100886	3028620	1240141	1276067
S-methyl-L-cysteine-S-oxide	167678	167871	192379	184415	147337	162264	161794	173287	184244	238552	202443	196370	183561	155584	156526	163474	168933	137271	196456	182624	196840	197732	160848	155341	216157	184942	167678	169081	210045	147415	135361	141105	146903	144741	138880	125733	145102	120701	148659	168380	157387	217826	120413	127365	138001	145911	157620	125235	167678	169779	144578	114160	134006	155230	173377	144331	142331	126766	133443	139106	187868	185686	147926	149657	167678	164369
taurine	26499103	26774115	27081686	26725019	34915127	34859690	23754510	25491917	25206207	31297675	25178843	30670446	30314086	24984996	26258251	25499405	30744270	25136480	31914546	27376570	27688539	31594254	28579824	25579447	27611759	27942856	26499103	26876091	32199384	27363222	24584191	25988548	26143302	28109534	26500712	27209101	26393088	23652591	25668670	25593599	24367461	25742793	24753599	23392054	25567243	26931090	26134967	22826070	26499103	26386659	26556730	25556123	22846205	25311971	27785212	22944039	25827873	24815666	22268174	25427953	31207003	31169846	34107677	33835566	26499103	26679756
thiamine	15129256	14908540	17564212	17879499	5536828	5476041	12302056	16272876	21401644	29792596	19491970	21976985	14001276	17288776	17966767	12324974	15547583	12714963	20017337	16154399	24823420	15123560	9954652	10940227	25821601	18374941	15129256	15358937	18789409	6127238	10290874	13337911	10148621	11881111	11968267	12044122	13966087	8709634	13586975	15118699	14095307	48183865	8290745	10463296	10761436	12227368	12169460	8732247	15129256	15159490	9747136	9764540	7865836	13042479	12204620	12460130	11543304	11431263	12009020	8329000	14436561	14330133	5081251	4926066	15129256	15252633
threonine	119101	120874	119070	121448	108155	108497	133995	131024	149309	139091	147354	141704	122918	125307	127300	108981	122848	90312	111319	115387	93922	120585	107206	110207	113081	122176	119101	118514	109897	121569	108650	119026	115852	127375	113563	105266	108090	91986	107011	140729	121416	110400	107532	117740	125703	141524	113848	117923	119101	121406	97692	100796	109939	129606	136226	115431	126904	121515	113855	111312	123245	122395	114746	112403	119101	118385
trigonelline	496008	493870	560620	564797	674034	649338	393172	382845	448052	559269	493432	648310	555633	395803	524798	503521	735704	576267	666047	460994	679353	712281	759403	642311	593305	666075	496008	502997	270891	381900	306976	482332	568304	546774	529780	579290	464824	472637	450746	377973	477318	511843	362183	362429	413306	495731	447072	357868	496008	485627	477114	499753	345634	493735	521392	344544	526190	374395	354449	400606	641517	635905	594051	600755	496008	486648
trimethylamine-N-oxide	580578	585132	841291	838309	558466	548702	626382	738757	602415	961962	787202	1097684	966987	609285	676662	730942	831443	463847	807506	614254	631682	777001	585278	752735	856510	690766	580578	590643	689588	661325	359938	393469	567176	689591	707463	760340	531370	534670	643340	635362	776935	620844	439427	567358	543833	453004	448816	212748	580578	566176	402699	76761	79803	486836	215536	99235	115690	179462	49021	432599	899953	885223	541346	536857	580578	577959
trimethylbenzene	7720	7264	8115	7311	2005	1759	7257	8995	9641	13725	9031	12178	9093	10078	11508	8841	6562	6654	10616	10038	10797	6519	6709	7043	13199	9289	7720	7429	9677	6688	6823	9866	6295	5173	8263	7737	7933	6444	7800	5860	7684	15297	6516	7433	8150	4153	3219	3883	7720	7894	4408	7745	5987	4410	9603	8624	6922	3259	6855	6297	8096	7597	1619	1635	7720	7627
tryptamine	22594	24626	nan	nan	nan	nan	30960	36363	20495	33896	34319	18917	16713	9797	3632	12069	46401	49544	24544	27651	36892	31628	22300	74307	44640	15639	22594	21870	15236	5280	26388	14189	14377	9090	16140	nan	10583	11422	6220	2473	26334	40367	10270	13621	15280	24090	43936	16665	22594	22717	34190	17730	861	25338	11039	24064	24382	3126	4831	31383	nan	nan	nan	nan	22594	21749
tryptophan	43995800	45558133	43439968	44553766	69824927	69633946	41105663	52634496	42082455	49529426	46528172	55771294	45863421	41078542	39855715	36392136	47003429	39406247	54335381	48570662	40733397	47398429	44930216	40564897	50975154	50859079	43995800	44858552	42358770	43784556	35254787	38655693	40817871	44691137	44581923	42416026	42196701	36580460	40580968	46062561	37896050	41015242	34124527	35604653	39780709	46220746	38385354	33146739	43995800	42914315	43591317	38366096	43934577	45481262	42913443	40503134	43090605	43176870	40751766	41988786	48383625	48181675	72481787	71933759	43995800	42178820
tyramine	16183	16255	4824	4830	2004	1973	8811	19987	8087	21677	19996	21345	23302	16024	18723	11706	14022	6196	27506	25240	13427	10890	9392	11905	17400	11668	16183	16104	58741	19975	21895	6836	25160	6941	14750	8315	7697	9649	26970	23688	19324	17106	7725	14933	12093	14602	15798	11376	16183	15961	15885	9011	7311	9022	10540	20482	14323	5654	8389	7971	4794	4599	1672	1647	16183	16547
tyrosine	33290501	33438410	30884672	30344118	82176312	82460222	30766769	41268901	31332648	44783767	33449518	57261317	43938540	31322562	38413525	30667338	37087835	23357394	55194431	40418805	32553863	39518680	34707229	26943458	45177294	39716065	33290501	33299512	35558875	35586111	25243595	23939047	29922504	30489675	35013183	31141340	30557875	25691996	28120174	34263280	27454528	30882474	25448142	26420078	29042361	37771808	32522224	24539365	33290501	33819019	33525830	26624423	26153551	30712342	35994542	25767685	32054650	26009475	22788705	31354078	36046026	35766044	87580492	89326469	33290501	33722670
urate	74288	74325	43191	42639	89892	87637	78709	129363	74449	97805	56432	138625	109775	72184	53936	43249	153029	58779	137640	79671	79802	114188	109601	71931	82950	101343	74288	75294	65834	63880	57621	48008	41420	58166	76602	94643	68402	59363	58351	60105	60660	44517	41587	58445	48194	58120	59284	45399	74288	73772	105766	80252	57061	80694	72390	57192	72923	58565	51714	65661	57806	55913	78613	78563	74288	75622
urobilin	182940	217526	328723	363109	nan	nan	354353	202400	414724	603472	327379	378804	534251	387086	60786	127846	65616	285381	83625	93813	220663	43993	16561	76390	144581	95048	182940	171003	1071729	147646	57008	255733	122156	46168	67704	59056	96127	32643	208681	211234	167896	1633480	105559	83256	119703	96320	77854	101128	182940	214734	54231	197747	64373	108427	306921	294540	11406	78489	69051	134268	188774	162176	6452	3167	182940	226435
urocanate	575142	564490	1042351	1032521	133190	132481	3492199	4134882	2835116	788875	498072	330431	117767	1026392	218980	3096592	508185	203430	617000	423822	613854	235855	333418	183846	295588	246337	575142	582547	199742	227304	428802	214753	635326	271411	288970	201330	295564	345380	292852	234640	153858	298988	120680	170355	115799	165802	252753	2106355	575142	577334	130397	581135	165221	280489	203010	690704	217165	117093	227026	116096	1132903	1121644	156787	158286	575142	592384
valine	226725589	228508997	182226060	186973871	358886219	362447269	177858267	212784184	165575583	261739810	192682609	332711429	236861317	189773648	247329457	911875328	253788035	157096450	358270852	268799600	222245284	252411496	212106045	178325072	263935518	222662685	226725589	232295442	227716707	199704034	152487747	178356147	191497401	208948556	197895486	169202760	198236499	161938511	168990953	193807250	157387694	200218156	145031981	200348733	163358631	345185869	184352452	152291158	226725589	225487660	208309860	158215335	180920469	201261176	211439631	337296913	214104702	168939923	155509394	253778457	236530401	233804960	364326385	362250960	226725589	228496931
warfarin	249991	261101	414	607	nan	nan	nan	928861	nan	495541	38	nan	159	729633	nan	1122964	nan	757502	290	nan	584739	51	885809	nan	nan	99	249991	248932	nan	699309	nan	nan	3314299	nan	405069	384379	714393	185	824	nan	212	741673	nan	509277	nan	nan	20	18212	249991	245624	1147574	201	16546	300	nan	nan	26401	nan	128	550	nan	nan	nan	nan	249991	243520
xanthine	1105030	1116953	1143706	1177566	1242694	1210149	1773112	1514128	1221774	1891754	1174511	2163793	1555119	1184287	1198230	699642	2292137	846581	1883691	1968270	1374241	1513359	1394930	1174103	1644932	1359246	1105030	1131254	1004852	1017718	884398	845204	757755	861937	1140707	997376	1032332	1215171	906309	881500	792216	557720	635935	478268	695846	638336	619555	642934	1105030	1102375	1287701	1133915	798262	943926	1521970	1014536	806397	683260	489266	724551	1484122	1439807	1348377	1336690	1105030	1109788
xanthosine	61401	61885	50342	49714	32948	31327	118365	111495	77940	84870	62848	138115	70961	67046	50871	35723	93516	33249	108898	108827	62600	77487	69597	74022	79810	83067	61401	62143	55922	45804	59182	47993	34923	42259	53673	58914	46907	66887	54647	49978	39286	32993	28464	31239	41228	35041	31488	31559	61401	61372	79125	59415	42674	51803	55153	64445	49465	36239	30706	36008	60924	59566	28587	30910	61401	61964
C14:0 LPC	882055	872682	824880	771498	1519429	1472026	620274	831031	806954	1155442	810919	1612099	1003570	890817	1100333	614017	1125746	831965	1338638	1163645	1191226	1216810	1097347	884272	1018293	1164997	882055	898468	881187	1035500	723776	887854	806192	810511	806537	697869	872293	732515	694036	622202	691371	668986	761748	671646	642327	622972	987427	667649	882055	890448	832700	753776	623742	728332	1022343	928133	869280	724949	519023	735958	1233441	1262631	1461447	1448723	882055	908823
C16:1 LPC	374977	394638	408165	424173	703671	687433	330909	369889	499963	566434	469226	840567	507252	409113	499380	287581	482087	349839	597612	493241	446321	561100	405184	332436	335338	449943	374977	373048	406838	402826	305690	377065	381692	326417	356454	329365	339565	336796	276393	256881	278303	270234	391915	232480	264175	315723	390944	293586	374977	379561	332753	360691	231889	324012	445117	315399	305873	253024	174745	246415	546090	555205	776910	758383	374977	390018
C16:0 LPC	32038600	32413928	31619005	32381009	51482585	53396143	27508766	32572082	29141360	40888610	32344190	49521321	37920447	33362265	43393204	29820706	34164335	25411676	40712781	34257196	32685557	35557196	30423352	27608109	31697951	34804811	32038600	31750033	38563722	33296253	30200588	32814541	32321697	29701397	28530839	27565236	29503316	27739778	30390469	30479968	28277682	29575459	31632162	28346137	30234194	31897510	35220105	33405166	32038600	32717791	29095988	26922174	22971909	29471223	30219816	28497337	28632083	27488351	20947161	29765662	41407554	42010659	52726435	51398992	32038600	33041799
C18:3 LPC	448420	459282	479370	497402	669670	683263	391902	491275	414975	572360	465472	724281	529938	483151	595946	415285	480304	346052	562329	487438	443545	459549	411026	394252	429111	452956	448420	427883	521140	462411	425653	460481	469819	419254	436637	393416	417042	392045	424130	447130	402344	418369	455367	403139	422853	454339	503444	479969	448420	462747	412746	376379	330190	421089	420186	411453	371375	365436	292000	391645	622772	630796	711613	681320	448420	461008
C18:2 LPC	1657607	1687036	2021917	2055261	2834895	2899528	1473509	1791376	1288907	2084286	2140280	3198131	1792203	1256037	1997511	1509969	1577901	1211009	2016311	1516856	1260527	2005195	1716566	1720493	1553014	1891221	1657607	1632353	2063845	1936859	1335833	1793759	1889384	1676499	1720471	1649200	1546040	1468313	1594769	1507418	1574349	1671954	1659265	1286588	1800498	1817130	1996918	1907825	1657607	1743189	1350234	1173938	1007348	1766118	1510625	1340953	1529567	1103356	1156430	1526860	2366661	2411750	2660018	2610656	1657607	1675684
C18:1 LPC A	1305310	1279191	1426180	1427394	2142062	2109172	1157493	1392926	1256458	1757625	1485803	2183614	1563096	1293115	1507319	1081342	1484786	1031579	1695330	1452200	1258016	1543979	1246198	1054134	1299395	1368920	1305310	1288925	1524210	1266687	1106197	1296514	1255024	1215284	1345037	1136050	1244757	1119483	1147392	1179672	1042522	1095157	1349350	1009311	1272357	1280741	1462241	1237816	1305310	1335167	1115340	1099690	968919	1186100	1428900	1186779	1198996	1115677	871259	1121200	1770098	1754681	2380212	2297844	1305310	1315865
C18:1 LPC B	283030	289927	225186	231686	443075	430447	235731	284006	226774	353941	296917	521698	293998	317537	380351	246810	337489	211856	447596	307467	241682	296078	235343	243370	312154	316073	283030	280302	310627	243326	220913	283208	255320	251203	349068	250172	262441	236574	229288	237949	197245	222790	251854	222856	247412	267762	383478	362104	283030	268769	284300	260373	230230	360625	340486	299813	305438	288590	199645	296928	323379	315055	383934	374688	283030	303882
C18:0 LPC	9009210	9088909	7985949	7899018	10221681	10302496	6817165	8615542	6491024	9161709	8031481	9821641	8788146	8753045	9188947	7362515	10749803	7300696	10058664	9153165	8954813	8243880	7582670	8101177	10205743	8874345	9009210	8853219	9369946	7981848	7161212	8619486	7962335	9252207	10729280	9121911	9603447	7307255	8262276	8959404	8161853	7993119	8472926	8000064	8763788	9324792	10323036	8792448	9009210	9013760	9754190	8620437	9361435	11723346	10639017	12014460	10472281	10815648	9467920	10384822	9070864	9262533	10467221	10271324	9009210	9101193
C20:4 LPC	301144	289992	353989	344036	375233	380424	262424	308782	139713	355013	308370	375911	400360	265222	301299	319353	271754	161780	275348	250829	179205	187351	193174	217930	262770	236025	301144	288144	376260	252300	220270	326553	374589	285104	338198	246069	230250	180303	351666	342681	293314	295909	390310	330891	389953	546654	476221	344531	301144	301425	242269	161004	218898	339785	252634	309415	286475	264048	278254	310040	399414	409458	335424	309793	301144	286876
C20:3 LPC	181903	191336	203498	178367	361745	344828	264523	171781	111966	249309	174178	343511	216453	150961	273367	154882	275618	124615	289344	205587	166514	185231	186693	188833	197258	187492	181903	206878	215185	150716	129675	164394	181796	175373	203254	187926	166126	141094	171065	168124	140556	176600	133545	128931	170072	215451	193543	207985	181903	170821	207893	133547	128802	264104	212052	188895	184224	161349	140406	174917	239107	226520	269788	258610	181903	185687
C20:1 LPC	137870	146241	152805	154484	343371	328908	111419	149650	140831	185844	130739	229635	166809	169489	171732	102600	177441	110354	195988	151291	145087	170863	138388	108719	146295	158015	137870	146350	171563	139184	125454	132318	121951	120634	135021	109329	139087	115966	109688	126937	105865	117623	151362	98396	154463	106183	221854	139454	137870	130424	114089	152476	106796	149557	197484	137850	146162	133311	88370	125892	200397	203031	357396	356521	137870	145302
C22:6 LPC	69711	68767	64854	70299	225598	213003	53365	43134	27893	74163	60077	110853	76436	51292	133815	82614	87164	58785	114234	98984	65490	73233	62225	53445	81718	73069	69711	73469	73770	46182	61358	68968	73509	71751	88535	71764	64638	76949	57399	56407	47760	48087	76859	52562	54009	95421	77571	109342	69711	75411	72818	47014	43483	126669	84113	60316	63222	53237	55073	83396	92512	98094	240471	233624	69711	77065
C22:4 LPC	54720	53693	60890	62414	180125	176005	59879	48176	38375	81839	60314	113862	74495	46589	87768	63066	78336	42762	81425	63187	55128	74283	53952	39096	55634	48964	54720	55027	52843	38284	42363	42212	48220	51851	68986	46245	50404	47380	42489	43423	38270	38205	47983	43078	44167	57029	294626	62287	54720	56397	54261	40327	37050	66436	70619	46178	182998	46395	34942	60791	85925	96535	153972	165434	54720	63135
C24:0 LPC	251915	261841	188280	187493	348153	333709	175462	223540	237007	279492	237628	311029	261731	261651	282365	192703	306564	219911	297129	262404	264720	288472	243549	232220	281561	221646	251915	253681	325356	248310	245900	236760	240780	201439	260960	219213	241415	242488	220832	239069	196317	188958	227476	212411	213691	197473	240172	237203	251915	253497	259731	228124	269272	319989	321190	312712	267362	280738	195659	307122	207743	225533	344623	317231	251915	242253
C16:1 LPC plasmalogen	55619	55439	53492	51245	61646	61017	51124	65453	44780	72198	55429	79699	65014	67891	87918	55587	75723	47735	75241	63594	41920	50530	37356	36845	64711	59465	55619	55399	70203	47356	60324	51957	41663	46142	63181	41922	59726	74216	43457	49302	37848	52281	53253	41195	53794	42533	75631	72940	55619	53466	52502	63984	43295	67781	76667	52177	51029	56540	39927	65977	67896	73396	69077	70668	55619	63324
C18:1 LPC plasmalogen A	159382	154921	227456	238334	407241	425509	154607	189668	138981	215798	185681	251809	231656	168823	207177	128510	273895	150139	189105	199940	173590	189807	168546	106806	146094	121626	159382	168797	148855	116394	127787	125399	129838	153181	179056	137261	188853	188810	112534	115171	118669	102847	173338	125661	144780	141912	157851	126397	159382	158763	131899	171565	104881	170374	264301	157187	129878	130482	102038	105886	282384	265564	606720	601566	159382	163816
C18:1 LPC plasmalogen B	108691	109248	119860	125200	222251	212282	106006	116596	78503	176440	109373	208737	153158	107967	151073	105785	156793	87797	180954	134045	107342	141155	97971	70380	116301	107071	108691	112823	134076	87366	87788	85396	88346	101784	107099	87195	106138	110136	90929	97129	77622	94001	88065	79708	93042	100420	96556	84451	108691	109571	102464	101714	77793	108910	133901	97892	93425	103192	67086	104516	170492	175252	235171	246631	108691	119640
C16:0 LPE	2313127	2359334	2045258	1974035	4125564	4081468	1771676	2035512	1786696	2702377	1914008	3647260	2705081	2212927	3243356	2072088	2833462	1822610	3889112	2631108	2913279	3017231	2487382	1810249	2361950	3054024	2313127	2304164	2553406	2207851	2505604	2451886	2275378	1854974	1709448	1767842	1942479	2405608	2112998	2114765	1840642	1673442	2412125	1928910	1951444	2032744	2592389	2420468	2313127	2349483	2055352	2080063	1581092	2176066	2727016	2034276	2181203	2074452	1314617	2513078	2814950	2739036	4929681	4698119	2313127	2427423
C18:3 LPE	192455	199396	174612	162475	361198	337224	150865	188070	158729	217203	160424	305995	196300	204476	298988	189914	246226	168559	335096	244130	241032	257403	213889	160934	218589	263960	192455	197478	200858	195534	243411	220958	188598	155587	152616	165788	167805	223492	178434	174526	152473	128494	224136	173801	164466	166453	199490	235490	192455	199612	163032	202488	143590	184070	218394	170458	158082	187052	123699	194173	211326	207333	442045	408106	192455	200262
C18:2 LPE	133341	134082	170150	159258	337523	330150	136954	142114	143034	206447	133273	262352	183716	144999	203171	99936	168460	134398	240816	153575	189861	209677	132467	75541	106219	137167	133341	129650	140302	129095	130589	125750	112955	101008	78054	89629	110599	138094	98953	94221	80142	120742	152871	85041	100279	92535	117820	119886	133341	131418	79707	113093	71991	101380	198492	77028	102060	92491	52210	102513	201976	195461	438323	430912	133341	128424
C18:1 LPE	1217640	1198647	1244656	1253937	2453257	2370081	1076873	1160988	1044169	1594044	1008574	1918501	1558691	1260748	1835886	991029	1604359	1166174	2166917	1391961	1757624	1694427	1299754	823990	1085060	1423443	1217640	1193785	1279762	1061813	1217867	1240210	1088800	927008	783640	857815	1021793	1300753	1022966	1002211	815756	850217	1378021	891136	1068266	904825	1299379	1163189	1217640	1223211	910059	1209029	774943	1048344	1676760	924823	1102374	1077378	566569	1278987	1876791	1821833	3244065	3134573	1217640	1228605
C18:0 LPE A	3858660	3761828	3615821	3558410	7640109	7568031	3098792	3298140	2755556	4596849	3227606	4837699	4249937	3470386	5364170	3454362	5211218	3093996	5984256	4107916	4310016	4783622	4056929	2835283	3303194	4026046	3858660	3739066	3531766	3198397	3433443	3747668	3354105	3353002	2907376	2928876	3331863	3764621	3519307	3658531	3037084	2742992	3619286	3095085	3542295	3468995	3939221	3548674	3858660	3729030	3399121	3338118	3039688	3896599	4950610	3781397	3856229	4308518	2612934	4281862	4474169	4450262	11325918	10680930	3858660	3810908
C18:0 LPE B	875721	886990	1139117	1165320	2160792	2186878	733207	960139	762650	1171780	865421	1611795	1113576	1011452	1203997	788098	1078167	670634	1292199	1013311	956877	1007190	820740	773986	760348	891820	875721	882002	896565	907436	740722	797945	896619	835749	863388	728454	946839	671689	752432	811805	666689	700797	765290	720636	751612	752991	1023933	702039	875721	853972	829668	737154	685598	954772	991381	1003826	843160	728157	538980	693966	1604934	1608959	2189107	2117112	875721	912926
C20:4 LPE	370472	416967	528441	521954	873313	949512	403479	394416	319867	416545	541177	703227	385835	351694	844863	419973	408229	273673	427898	425173	386601	331046	349302	259923	311811	339788	370472	386666	268443	302378	397496	350172	363297	307410	357616	354141	324852	509757	238671	277137	224125	265213	311226	297705	246611	281289	328363	766902	370472	367190	410460	282148	287583	623541	424377	359598	315968	285210	221495	406553	446064	467003	613372	645806	370472	378031
C20:0 LPE	597484	585700	702135	717189	1070077	1067790	489056	648380	497556	738969	598394	904857	682709	662421	732652	537109	653477	399821	729709	605874	553318	555176	463534	482967	578195	546563	597484	588021	693118	623062	528919	591312	600678	521892	590841	480277	556946	449483	606713	654353	536892	583835	566265	544314	614310	587696	732435	561811	597484	630024	547539	459702	522111	671413	626050	636879	626310	560342	428258	549860	888529	913080	1056005	1019659	597484	585273
C22:6 LPE	17528	13492	8375	4135	56031	66994	15114	13767	8320	3942	21916	40781	nan	nan	188716	52195	13194	7603	nan	36637	42818	nan	13543	5053	nan	45818	17528	30965	nan	4647	76866	22332	nan	15607	nan	10716	5497	118992	nan	4860	2395	nan	2728	2304	nan	3446	nan	114505	17528	7654	13871	2727	5552	65873	7554	nan	9891	9308	2200	31718	12935	11388	39520	40069	17528	15514
C30:0 PC	22764284	23325285	19428690	20610199	23193252	23097575	14663856	22239183	22151469	24654082	21020617	30889053	21510899	21619996	26760041	16242104	26709154	20344118	28426531	25518432	31520281	29648022	26637103	23513223	26159366	31632932	22764284	23144760	22938081	26161353	18096941	21209974	21534655	25703400	19778030	19534353	20171508	18754247	20478444	20269651	20751632	19455120	17098523	17631047	15583999	17566171	22175844	18435349	22764284	23915064	23106327	22161077	19502547	23399210	25409306	21766685	26675693	21173471	16979090	19170900	24299698	24518974	21751337	21741768	22764284	23245976
C32:2 PC	6950564	7068756	6748418	6609664	7643014	7204997	5323134	7474713	6874661	8097818	7347621	10163816	7083691	7138727	8220253	5879415	7174349	6423157	8673478	7602290	8902551	7695233	7058773	7213458	8597081	9364512	6950564	7254654	7838900	8249473	6489210	7258224	7246241	7691898	5998089	6760259	6837230	6522542	6493294	5952783	6301908	6825291	5712967	5640990	5370853	5514945	6911836	5775083	6950564	7010101	6876350	6618333	5707651	6369472	6309654	6194183	7108397	6093583	5508711	5799329	8429937	8075604	6816902	7156364	6950564	7053341
C34:4 PC	2288173	2307035	2308424	2358485	2127051	2175367	1941457	2249518	2274568	2550486	2181351	2749923	2240333	2348772	2607619	1981531	2673386	2220823	2616123	2550722	2592981	2431166	2361541	2634404	2597253	2806554	2288173	2411269	2116345	2398036	1904242	2195878	2163081	2433183	2434325	2267103	2196470	2196423	2076483	1869636	2121038	2272062	1843807	1962545	1856456	1891505	2226868	1975348	2288173	2349970	2433718	2131442	2220221	2340509	2338351	2308956	2586854	2148190	2251950	2403893	2649118	2629856	2074526	2049977	2288173	2231329
C34:3 PC	7785260	7805355	7812609	7939713	8557577	8426909	6887170	8086800	7599275	7984198	7587037	8580609	8148585	7805950	8970115	7199764	7438873	7639240	9345645	8382029	8523077	8088961	7421376	7969539	8777651	9148413	7785260	7870859	8490782	8440204	7700597	7904621	7596920	7854585	6845929	7731145	7638103	8151460	7368977	7308031	7281862	7523127	6805045	6637233	6430060	6892440	7376117	7238740	7785260	7770963	8103129	7863315	6899017	7403591	7357207	7115150	7676357	6959887	6545202	7268864	8947002	8691494	7998575	8012725	7785260	7658233
C36:2 PC	82450769	82830585	77175041	80080928	109173543	112962760	79532452	85974863	76237753	87889122	77712121	93015416	85091264	83223648	77476865	75914696	81379933	80662945	89803717	78179910	87643278	84917583	80391532	75224669	81935123	84501084	82450769	81831937	81394640	82657790	82791047	82650977	79536989	82053922	76987759	79204719	79286163	75886834	81703800	83691654	80454529	78850373	82800651	80959446	83229522	82908539	83140540	80937575	82450769	81874552	83878307	85988544	75984066	78472122	83996409	77849739	80651538	80472020	72862923	80562286	80391874	77936113	110330212	109656555	82450769	79884480
C34:3 PC plasmalogen	2444533	2476715	2258544	2275955	2017768	2083641	2595196	2712429	2085782	3124033	2774626	3272389	3003711	2677515	2585795	2616609	2361689	2417610	2940472	2593862	2507043	2607898	2053820	1983537	2473879	2063164	2444533	2460780	2892844	2577683	2846649	2624941	2621602	2439708	1860926	1841521	2444664	2214264	2759079	2540838	2350153	2662004	2860427	2523433	2614138	2556057	2611206	2324838	2444533	2425747	2080486	2590104	1871405	2106761	2009514	2082891	2080386	2116720	1642883	1704797	2438958	2466095	1944900	1966123	2444533	2443425
C36:5 PC plasmalogen	15961912	15586108	14701461	14802982	14433293	14916720	16098626	14556229	12342174	17907439	15102056	18259288	17176748	14835344	20599190	17792200	18185282	15819561	19990526	17142884	15288855	16243879	14354011	14088437	16768341	15356985	15961912	15270953	16548000	13044118	17372311	15003006	13741467	15930209	15635472	13570986	15250087	15389154	15788824	15179685	14699730	16342163	17105332	15902162	14879809	15041149	17102935	17342512	15961912	15886082	17949661	14908677	14296616	17042381	15843070	15352876	14622677	15808553	13850162	18512456	19050123	19558930	14878170	14697863	15961912	17116369
C36:3 PE plasmalogen	1860750	1902621	1614134	1657252	1547828	1555197	1786372	1989256	2002958	1994672	2034109	2193543	1989766	1990173	1965333	1842260	1612544	1738887	1914314	1850256	1992178	2079471	1643560	1558743	1863451	1868485	1860750	1832727	2015160	1979339	2035253	2086951	2040346	1751065	1504143	1477116	1812421	1734209	2208887	2035414	1775804	1714874	2033701	1947951	1824147	1898630	1949464	1911676	1860750	1947859	1597472	1860798	1562249	1711777	1611707	1856357	1648039	1823090	1386739	1293700	1609792	1588219	1468423	1449358	1860750	1930931
C38:7 PC plasmalogen	1561253	1602222	1404854	1326512	1892934	1930118	1458694	1360245	1145896	1725967	1318443	1948674	1690290	1372699	2102422	1616741	1787316	1514143	2103746	1795645	1648076	1852232	1567148	1368684	1809584	1750763	1561253	1512392	1786062	1457453	1878101	1558898	1301532	1549890	1418653	1365908	1439621	1660213	1503483	1422145	1390398	1603396	1602714	1396508	1402507	1336453	1581289	1675477	1561253	1566400	1749067	1457622	1212667	1660157	1603634	1313644	1373127	1411129	1161520	1724732	1962196	2024439	1784040	1774233	1561253	1747292
C38:6 PC plasmalogen	5219144	5230526	5193672	4889396	6806719	6872157	5052645	4956712	4051806	5986679	4849907	6943492	5908976	4808063	6673977	5221749	6062641	4812165	6712366	5655367	5341522	5541267	5171030	4461884	5456954	5625846	5219144	4994391	5593027	4319683	5481509	4687549	4223299	4922554	4800639	4330775	4769626	4810569	5015990	4531522	4504089	5202680	5204598	4737863	4802857	4477061	5187756	5274151	5219144	5095994	5945805	4884005	4268871	5844481	5146113	4808564	4720442	4984052	3928003	5621793	6997212	7289322	6435553	6413653	5219144	5682320
C34:2 PE	3116060	3242551	2705489	2648339	5168519	4991390	2506353	3278465	3053511	2887857	2988236	3635238	2909303	3188430	4160475	3086634	2680064	2930829	3935504	3310834	3917334	3148446	3028378	3032683	3232734	4667091	3116060	3083691	3371907	3407166	4040800	3506593	3146885	2862076	2654393	3305135	2885377	4025502	2959490	2979245	2748084	2529948	2918270	2836582	2526122	2606541	2853081	3911408	3116060	3108310	3230579	3148706	2455512	2761746	2614845	2333567	2492046	2676535	2257786	3456256	3178442	3090612	5130072	5115910	3116060	3189278
C34:0 PE	10166222	10344336	11333003	11234197	11279656	10893285	8204580	9954970	7774690	9765692	9717470	11457350	9618359	9917687	10911991	9259323	11158811	8470425	10932239	10774962	11229704	10408697	9743417	9678092	10255638	10069247	10166222	10443950	9745080	10117913	8116784	8941904	10144695	11195184	10416346	8999198	10145075	8399142	11515473	12101226	10933613	8993024	8195311	9956069	8938557	10399916	10932962	8818518	10166222	10757636	10255408	8937679	10676581	12853105	12273133	12973629	12256270	11371482	9068107	9224984	11572318	11287319	10293485	10658692	10166222	10507294
C36:4 PE	6807123	6909098	6199976	6416113	10347582	10008975	5451548	7003773	6117022	6675098	6553628	8138716	6664036	6659511	8362231	6117891	6478428	5920617	7905283	6837455	7639200	6545507	6477406	6429582	7032299	8662420	6807123	6591291	6945437	7115713	6843547	6688733	6614917	6453120	5908885	6752748	6442628	7096131	6675214	6520181	6225756	6188507	5968595	6082852	6257456	6521458	6715043	7673845	6807123	7083112	7280396	6845247	5888457	6553629	6684962	5959750	6417125	6168959	5589981	7588816	7649821	7424124	10177961	10356692	6807123	7175181
C36:2 PE	6148196	6124558	5274430	5505203	9775262	9355797	5383878	6624887	5788526	5628191	5843973	6425969	5777387	6350965	6686938	5782036	5587725	5743220	6612169	6237266	6774409	6112154	5733425	5615634	6081775	7113304	6148196	5925934	6096098	6371806	6751251	6486167	6159401	5976004	5513250	5836137	6387169	6553403	6457616	6439982	5764556	5205737	5857314	6047605	5984051	5834701	6488453	6993057	6148196	6286066	5967720	6547140	5686272	6122927	5973694	5880181	5655750	6239940	5450714	6043997	5749188	5498713	9816193	9996172	6148196	6608765
C38:6 PE	1823608	1889347	1624981	1614037	2719214	2756586	1446639	1505573	1576132	1727323	1619460	2007445	1719476	1525873	2423056	1720017	1868603	1631741	2242717	1917033	2132037	2031645	1912699	1891195	2041707	2557307	1823608	1786097	1854824	1946673	2015797	1786629	1642379	1820670	1687571	1805134	1661570	2164107	1573477	1654263	1597855	1683089	1542026	1515979	1469396	1661154	1609493	2211389	1823608	1879796	2046615	1627633	1458966	1781312	1745694	1465250	1774931	1561536	1469376	2152392	2006665	1968242	2745146	2728692	1823608	1900028
C38:4 PE	16664979	17213677	16643753	16613671	22394118	22649322	15372349	15831926	16079548	16554065	16279670	16617209	17170744	15389418	16371666	15498358	17452535	15657109	16692702	16844844	17120050	17965415	17147221	16505381	16630389	17459811	16664979	16795398	15846030	16355443	14637447	15295545	15828485	17382151	17683188	17341221	16669792	15660756	16274820	17037202	15973039	15241827	14780859	15304302	15380681	16908515	15786024	15912242	16664979	16955719	17880955	16177248	17039924	17226871	18185431	17321840	17978700	17540112	16980013	17586811	16233557	15982682	23067387	23192764	16664979	17350545
C40:6 PE	1521316	1543928	1330754	1335680	2292849	2341279	1364789	1292509	1401119	1473137	1299564	1536449	1463614	1336426	1675764	1427685	1668705	1595048	1696801	1603996	1755309	1830970	1780903	1554090	1641735	1913246	1521316	1564096	1554079	1577020	1647227	1566291	1456639	1738766	1543568	1579132	1497275	1645970	1308595	1478265	1300269	1298769	1343886	1340060	1269207	1407978	1364763	1545317	1521316	1529314	1554684	1409063	1337527	1521063	1524337	1342388	1626550	1491735	1358422	1772825	1404000	1410880	2373553	2364827	1521316	1556427
C34:3 PE plasmalogen	1588659	1593306	1274117	1339310	1197155	1131759	1457745	1592927	1346442	1747434	1711796	1963389	1717659	1619546	1769479	1661307	1324545	1440565	1876692	1717776	1681890	1766703	1240627	1326964	1665765	1409258	1588659	1541321	1743091	1787992	1681140	1866613	1895972	1531056	1274001	1284900	1613292	1532881	1967378	1780109	1557368	1468515	1748536	1595579	1588042	1792101	1683438	1602506	1588659	1630982	1358091	1577472	1284245	1436028	1475603	1503649	1336187	1447159	1170100	1077658	1425374	1352129	1085235	1093214	1588659	1673758
C34:2 PE plasmalogen	2716835	2767046	2235503	2379399	2105790	2026754	2760214	2474915	3035970	2682069	2589425	2773533	2678742	2761403	2871473	2527155	2747620	3048339	2849426	2941952	2964461	3403229	2677981	2425996	2738749	2826045	2716835	2647394	2526269	2406187	2941491	2807307	2474447	2770437	2353676	2230366	2755901	2794334	2853100	2669847	2394569	2196885	2895497	2548611	2366255	2335917	2744281	2633387	2716835	2815198	2491536	2858332	2534710	2824729	2566628	2831456	2695451	2787119	2241398	2220633	2255618	2173938	2008632	2028915	2716835	2868746
C36:5 PE plasmalogen	22193683	22447356	19909306	20017581	19081333	19413127	21338269	20701376	19776258	23949880	21476040	24948913	24113400	21403702	25896069	21882153	24412257	21671904	25405512	24577376	23557678	24382358	21703520	20940856	24044964	22419828	22193683	22867594	23563155	20618539	21809301	22041118	21703769	22734024	21553535	20585819	21913368	21616916	22257741	21211013	20101703	20555150	22771275	20772534	20363388	20724054	23158878	21666308	22193683	21912760	22955861	21332489	19866125	22519178	21996640	21915251	22040205	21577618	18826723	22842137	22053239	22179651	18369244	18391328	22193683	22590994
C38:7 PE plasmalogen	3849564	3955154	3519239	3592903	4345209	4405056	3378953	3273525	2971904	4009053	3406122	4034860	4172886	3389208	4953357	3880219	4172613	3923233	4731720	4257772	4374363	4547896	4307065	3794914	4417653	4522819	3849564	4038440	4603364	3973416	4416189	4165963	3929328	4190012	3747126	3803328	3598346	4130228	3593994	3615870	3418204	3623142	3736698	3662453	3538988	3771548	3804039	3907971	3849564	3735344	3884065	3709440	3089230	3852011	3754609	3269360	3757569	3282836	2931555	3927141	4168910	4128906	4121617	4075221	3849564	3676151
C38:6 PE plasmalogen	12082952	12286228	12274770	12293572	13844917	13956920	10931268	11438022	10385169	13554726	12092777	13826577	13773769	11070350	14343834	11786874	13369317	11529280	14427836	12872636	13021108	13644595	12934885	11157377	12576739	13420551	12082952	12569347	13604846	11413868	12132136	11832308	11835640	12663131	11529703	11221714	11184833	11071366	11619854	11289017	10783741	11635730	11939839	11965512	11990620	11553384	12294555	11529014	12082952	11884329	12398363	11625041	10540156	12587484	11930341	11559474	11857586	10929033	9430794	11660967	13867729	13695434	12995007	12741674	12082952	11529957
C38:5 PE plasmalogen	26991096	27526787	25734632	25737365	24626588	24749008	27291895	26135321	26216885	29105868	26532408	28656434	29402501	26820237	28798684	27958905	27900064	25858224	27373906	27889554	26243519	30286984	26704734	24113214	26511330	25272103	26991096	27809927	27792488	24222483	25652284	26668216	26789097	28632585	26790637	25419611	26088044	25357994	28031010	28048539	25726214	26181735	27716595	27219242	26194862	28187388	28077654	26073936	26991096	26638982	26957449	25490706	26798465	27728597	27961964	29475524	27207452	26766843	24270107	25690615	23804587	23427557	23355797	23042519	26991096	26045938
C40:7 PE plasmalogen	4253664	4345360	4207731	4140599	4824561	4763750	3938986	3652295	3808735	4385443	3540315	4170102	4635012	3914204	4619055	4284720	4624262	4423150	4546200	4562654	4598123	5492443	4816655	4112574	4818370	4693273	4253664	4539780	4802229	4361158	4372005	4342543	4153063	4865895	4252679	4401063	4271005	4307433	4046186	4189092	4029644	4003845	4161007	4026333	3992598	4269678	4112902	3985199	4253664	4250585	4284193	4174370	3805111	4276308	4580380	3901228	4388689	3922775	3539820	4072560	4148663	3987445	4562890	4439060	4253664	4028881
C36:2 PS plasmalogen	85311	93877	144541	152049	294140	280160	40244	98320	85074	140755	80274	163293	119663	79037	102930	73197	98437	55293	190097	83026	100457	102322	86315	64834	70473	102847	85311	84869	73231	89356	66572	81310	87949	72613	70700	79492	59572	80147	63985	70288	60072	69107	57614	56882	49555	72877	69179	78138	85311	89258	84954	60168	50986	72866	115300	75416	71908	64788	38487	61819	202013	206120	259124	263684	85311	86790
C14:0 SM	262312	266817	134887	129534	295442	319041	116190	237816	283394	271517	185068	342041	209806	266885	285877	129559	318222	251942	344347	267348	343258	344513	332376	219590	390846	376746	262312	249234	255875	237153	218305	258135	231506	236800	286651	218924	245391	216192	161267	227349	184101	203453	208667	163262	171609	132987	167255	242225	262312	276441	289028	280809	276844	376639	370216	301320	314237	311790	192475	313562	211897	220567	332553	307891	262312	282104
C16:1 SM	5268470	5167855	3951643	4166766	7443299	7401624	3779455	4654413	4246423	5174160	4277016	5940556	5449501	4963017	5518724	4595990	6150934	5264532	4231844	6103527	6577524	6521085	6414411	4769149	6112788	6053574	5268470	5081673	6248950	5019558	4522607	6138305	5561668	5095025	4469194	3590706	5031062	3817242	5177502	5522743	4892232	4824485	5199526	4564541	4835083	5077086	5637045	5029580	5268470	5617370	4894493	5067951	4153411	5373645	5549141	4438910	5129437	5024168	3609886	4919908	5217259	5152021	7022889	7661242	5268470	5270876
C16:0 SM	47688783	46589030	42375164	43062842	56912055	57004481	39958461	43329616	42414216	43938301	39382984	45262619	47256082	42466665	51302097	41217077	49260832	47506222	31694682	50488373	52876012	62563713	59679526	41449084	47133526	49683910	47688783	47418976	46922105	42644417	43228253	49433110	44996097	45087775	44485250	36635888	46206933	42313618	44869490	51167264	47954525	37905777	43172469	43742183	39588901	44037214	45094034	45859075	47688783	50746498	49658342	50912051	49305387	58359106	58005467	51303645	53841574	53685315	40104431	45642018	41460163	41965008	52862948	58708524	47688783	45796581
C18:1 SM	4970344	4757439	5026706	5052198	6173805	6283096	4394875	3835226	4875546	5491660	4309603	5299706	5503704	3838581	5102854	5604416	6019609	4433800	7262716	5246185	5231123	8203731	5775984	4744699	5414722	5536800	4970344	5233614	6046416	4819425	4284042	4817685	4595760	5825640	4708283	5006335	4580037	4200369	4940953	5934018	5057831	4280787	4505767	3966194	5044464	5514695	5027000	4156805	4970344	5133032	4683631	3810879	4175916	4896355	5619906	3806909	4360234	4389119	3974269	4735867	4959283	4926978	5658262	5771650	4970344	4435575
C18:0 SM	10307835	9933914	11889562	11771304	10095603	10500001	9769810	8372702	10811738	9627508	8384808	8041331	10350235	7360635	9468577	10537100	10437296	9819903	12151135	10268072	9515729	16918129	12138679	9526199	8959966	8922589	10307835	10715113	9472658	8872231	8554831	8415955	8236586	12094632	10232176	11883283	9438637	10351144	8982862	11652001	10442544	6896682	8456141	8180593	8775838	9848926	8339131	8344599	10307835	10596382	11534216	9283271	11306192	12798714	13477208	11193196	11218386	11597577	11040113	10047934	9164794	8953336	9187966	9481378	10307835	9049166
C20:0 SM	2193202	2142692	2394702	2309785	1780909	1957404	2002574	1720140	2128893	1988486	1611143	1739996	2183012	1533668	1797482	2091427	2229257	2103990	2734838	2198809	2091990	3222707	2777821	2093496	1817397	1761499	2193202	2173442	1748519	1950801	1712791	1746667	1719444	2540371	2064174	2455868	1962938	2130009	1834397	2393996	2105130	1467787	1852529	1879873	1962979	1908716	1745864	1671492	2193202	2203265	2434157	1946776	2369066	2744116	2788642	2471159	2243435	2398141	2337901	2086650	1969904	1900777	1831556	1895686	2193202	2195082
C22:0 SM	8964898	8664530	9284084	8861467	6729408	6876237	8412204	6529770	7257318	6852207	6071198	6581741	7697968	6148916	7493610	8126498	8657169	8587692	11734627	8833128	8492974	11991973	11180959	9287596	7501055	7358150	8964898	8691492	6981441	7812109	6750477	7337356	6733695	10258370	7930544	10385932	7801204	8516396	8026648	9856315	8592247	6777820	8802335	8704620	8389955	8582579	7821665	8497324	8964898	9415372	9738508	8150162	9590135	11521780	11453207	10457923	9393168	9876648	8940653	8735211	8064982	7640865	6866378	7085302	8964898	9600070
sphingosine	703734	684698	742160	714269	2257370	2197971	546938	581407	551760	734937	651599	989387	827093	687976	820262	700055	818476	853415	954457	776343	892368	760503	684740	628066	623123	736887	703734	743562	906841	709000	579453	718599	701075	726142	701471	637171	692781	588135	662482	702530	615057	930381	692022	586874	585614	710812	632591	609629	703734	722594	648835	721247	542522	716133	844872	680971	599231	607352	441640	702869	913499	922058	2545939	2481555	703734	691534
phytosphingosine	1174643	1153451	632640	634549	2900024	2966430	986278	1027106	969466	1116037	1250766	1272501	1293495	1294000	1372255	1183169	1082826	1204068	1430272	1306964	1302417	1199792	1091758	1071145	963366	946555	1174643	1189451	1246553	1117391	903774	1236146	1295194	1058909	1035946	885199	1303836	965260	1263982	1204112	1048326	1374886	1179945	1177003	1049873	1409793	1246368	1074455	1174643	1200939	1151518	1215508	1110614	1374424	1310940	1378533	1138785	1326000	863071	1061469	697785	720376	3591631	3650961	1174643	1235675
sphinganine	341634	345572	234967	232741	377379	379161	263436	349926	308390	417408	312631	464845	281134	373940	322291	322925	322033	330632	665627	459186	568237	324818	279647	319891	357398	409957	341634	364861	703280	307868	247006	323865	327860	435338	313621	362872	418538	245498	337045	379087	374999	409637	237461	266450	229862	314187	237429	236304	341634	339328	228489	299758	268783	287465	280376	380684	281668	266711	228375	214757	267516	267479	419890	397355	341634	345774
C16:0 Ceramide (d18:1)	1598944	1485215	1308540	1206688	2328508	2380955	1512502	1489593	2166020	1683884	1603788	1846197	1687081	1501303	1876704	1165415	1832386	1859566	1407135	1851085	2167401	2261869	1955424	1457860	1902411	1948208	1598944	1641389	1849495	1532124	2046704	1594852	1049920	1654928	1250053	1140076	1438543	1884032	1336138	1431925	1764605	1162934	1661242	1228268	1111192	1092165	1387305	1880320	1598944	1686597	1201706	1780100	1459878	1807005	1609540	1621838	1604838	1999087	1633029	1821757	1404446	1407350	2522442	2537259	1598944	1554855
C24:1 ceramide (d18:1)	1387606	1578761	1054595	1030450	1126890	1234576	1795863	1274826	858167	865382	757487	1094499	935012	2180494	1239954	1336156	1003370	1771107	1234921	1144631	1155661	1038196	1028254	1219455	1222602	1248838	1387606	1323758	938542	1314518	1645310	1601225	1338034	972400	1290745	1200633	963837	1570607	1532925	1716371	1677945	813307	2182325	2020386	1639274	1472427	1599621	2365126	1387606	1325580	1389091	1838793	1262700	1737325	1540980	1410306	973115	1835606	1533147	1731393	985114	991751	974970	1174612	1387606	1469153
C34:1 DAG	57495	68083	75886	84893	98494	96843	138888	139808	35899	25230	28402	98632	21999	142666	119835	161952	24946	61012	100491	34774	40840	10803	31512	34932	63382	66138	57495	58650	22275	37668	110759	81928	65716	26635	27164	69525	15706	92027	50465	84092	59923	37135	71056	97805	58566	37961	66126	253641	57495	54854	68096	64181	35000	55003	25153	16128	34449	42781	62237	65361	88771	87895	104579	109041	57495	61707
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	formula	mz	neutral_mass	refmet_name	rt
phenylalanine-d8	C9H3D8NO2	174.1356	173.1292	phenylalanine-d8 [iSTD]	6.68
valine-d8	C5H3D8NO2	126.1367	125.1292	valine-d8 [iSTD]	7.39
1-methyladenosine	C11H15N5O4	282.1191	281.1124	1-Methyladenosine	7.63
1-methylguanosine	C11H15N5O5	298.1137	297.1073	1-Methylguanosine	4.99
1-methylhistamine	C6H11N3	126.1028	125.0953	1-Methylhistamine	9.55
1-methylnicotinamide	C7H9N2O	137.0707	137.0715	1-Methyl nicotinamide	8.19
21-deoxycortisol	C21H30O4	347.2209	346.2144	21-Deoxycortisol	2.02
2'-deoxyadenosine	C10H13N5O3	252.1084	251.1018	Deoxyadenosine	5.17
2'-deoxycytidine	C9H13N3O4	228.0967	227.0906	Deoxycytidine	5.95
2'-O-methyladenosine	C11H15N5O4	282.1191	281.112405	2'-O-Methyladenosine	4.64
3-methoxytyramine	C9H13NO2	168.1011	167.0946	3-Methoxytyramine	6.33
3-methylhistidine	C7H11N3O2	170.0916	169.0851	3-Methylhistidine	9.76
4-guanidinobutanoate	C5H11N3O2	146.092	145.0851	4-Guanidinobutanoic acid	7.27
4-pyridoxate	C8H9NO4	184.0594	183.0532	4-Pyridoxic acid	3.97
5-hydroxytryptophol	C10H11NO2	178.0852	177.079	5-Hydroxytryptophol	1.84
5-methylcytidine	C10H15N3O5	258.108	257.1012	5-Methylcytidine	6
5-methylcytosine	C5H7N3O	126.0662	125.0589	5-Methylcytosine	6.09
7-methylguanine	C6H7N5O	166.0716	165.0651	7-Methylguanine	5.74
acetylcholine	C7H16NO2	146.1171	146.1181	Acetylcholine	7.74
acisoga	C9H16N2O2	185.1274	184.121178	Acisoga	5.61
adenosine	C10H13N5O4	268.1036	267.0968	Adenosine	4.99
ADMA	C8H18N4O2	203.1492	202.143	Dimethylarginine	9.7
agmatine	C5H14N4	131.1292	130.1218	Agmatine	9.07
ala-ala	C6H12N2O3	161.0915	160.084793	Ala-Ala	7.87
alanine	C3H7NO2	90.0551	89.0477	Alanine	7.76
allantoin	C4H6N4O3	159.0507	158.044	Allantoin	3.6
alpha-glycerophosphocholine	C8H20NO6P	258.1097	257.1028	sn-Glycero-3-phosphocholine	10.38
anserine	C10H16N4O3	241.1285	240.1222	Anserine	10.42
arachidoyl ethanolamide	C22H45NO2	356.3513	355.345	Eicosanoyl-EA	1.98
arginine	C6H14N4O2	175.1181	174.1117	Arginine	9.07
asparagine	C4H8N2O3	133.0607	132.0535	Asparagine	7.86
aspartate	C4H7NO4	134.0447	133.0375	Aspartic acid	7.9
beta-alanine	C3H7NO2	90.0551	89.0477	beta-Alanine	7.98
beta-guanidinopropionate	C4H9N3O2	132.0767	131.0695	3-Guanidinopropanoic acid	7.46
betaine	C5H11NO2	118.0865	117.079	Betaine	8.95
biliverdin	C33H34N4O6	583.2537	582.2478	Biliverdin	1.95
biopterin	C9H11N5O3	238.0925	237.0862	Biopterin	5.15
biotin	C10H16N2O3S	245.0948	244.0882	Biotin	3.83
butyrobetaine	C7H15NO2	146.1171	145.1103	3-Dehydroxycarnitine	8.78
N-acetylgalactosamine	C8H15NO6	222.0962	221.0899	N-Acetyl-D-galactosamine	5.48
carnitine	C7H15NO3	162.1118	161.1052	Carnitine	8.81
C2 carnitine	C9H17NO4	204.1219	203.1158	CAR(2:0)	8.68
C3 carnitine	C10H19NO4	218.1377	217.1314	CAR(3:0)	8.33
C3-DC carnitine	C10H17NO6	248.1123	247.1056	CAR(DC3:0)	9.48
C3-DC-CH3 carnitine	C11H19NO6	262.1282	261.1212	CAR(DC3:0(2Me))	8.57
C4 carnitine	C11H21NO4	232.1534	231.1471	CAR(4:0)	7.99
C4-OH carnitine	C11H21NO5	248.1486	247.142	CAR(4:0(OH))	8.85
C5 carnitine	C12H23NO4	246.1693	245.1627	CAR(5:0)	7.76
C5:1 carnitine	C12H21NO4	244.1537	243.1471	CAR(5:1)	7.86
C6 carnitine	C13H25NO4	260.1852	259.1784	CAR(6:0)	7.55
C7 carnitine	C14H27NO4	274.2009	273.194	CAR(7:0)	7.38
C8 carnitine	C15H29NO4	288.2164	287.2097	CAR(8:0)	7.29
C10 carnitine	C17H33NO4	316.2473	315.241	CAR(10:0)	7.08
C12 carnitine	C19H37NO4	344.2785	343.2723	CAR(12:0)	6.89
C12:1 carnitine	C19H35NO4	342.2629	341.2566	CAR(12:1)	6.94
C14 carnitine	C21H41NO4	372.3098	371.3036	CAR(14:0)	6.74
C14:1 carnitine	C21H39NO4	370.2942	369.2879	CAR(14:1)	6.74
C14:2 carnitine	C21H37NO4	368.2786	367.2723	CAR(14:2)	6.79
C16 carnitine	C23H45NO4	400.341	399.3349	CAR(16:0)	6.61
C16-OH carnitine	C23H45NO5	416.3361	415.3298	CAR(16:0(OH))	7.06
C18 carnitine	C25H49NO4	428.3724	427.3662	CAR(18:0)	6.51
C18:1 carnitine	C25H47NO4	426.3568	425.3505	CAR(18:1)	6.53
C18:1-OH carnitine	C25H47NO5	442.3518	441.3454	CAR(18:1(OH))	6.97
C18:2 carnitine	C25H45NO4	424.3411	423.3349	CAR(18:2)	6.59
C20 carnitine	C27H53NO4	456.4041	455.3975	CAR(20:0)	6.41
C20:4 carnitine	C31H54NO4	448.3411	447.3349	CAR(20:4)	6.48
C26 carnitine	C33H65NO4	540.4986	539.4914	CAR(26:0)	6.19
cadaverine	C5H14N2	103.1232	102.1157	Cadaverine	9.26
carnosine	C9H14N4O3	227.1127	226.1066	Carnosine	9.7
C-glycosyltryptophan	C17H22N2O7	367.1489	366.1427	C-Glycosyltryptophan	7.06
choline	C5H14NO	104.1071	104.1075	Choline	8.24
citrulline	C6H13N3O3	176.102	175.0957	Citrulline	8.31
cotinine N-oxide	C10H12N2O2	193.0961	192.0899	Cotinine N-oxide	6.69
creatine	C4H9N3O2	132.0767	131.0695	Creatine	8.29
creatinine	C4H7N3O	114.0665	113.0589	Creatinine	6.44
cyclohexylamine	C6H13N	100.1122	99.1048	Cyclohexylamine	6.38
cystine	C6H12N2O4S2	241.0301	240.023848	Cystine	8.99
cytidine	C9H13N3O5	244.0921	243.0855	Cytidine	5.82
diacetylspermine	C14H30N4O2	287.2439	286.2369	N1,N12-Diacetylspermine	10.29
dimethylglycine	C4H9NO2	104.0708	103.0633	Dimethylglycine	8.5
ectoine	C6H10N2O2	143.0812	142.0742	Ectoine	8.89
GABA	C4H9NO2	104.0707	103.0633	gamma-Aminobutyric acid	7.56
glutamate	C5H9NO4	148.06	147.0532	Glutamic acid	7.6
glutamine	C5H10N2O3	147.076	146.0691	Glutamine	7.98
glutathione reduced	C10H17N3O6S	308.0904	307.0838	Glutathione	7.85
glycine	C2H5NO2	76.0393	75.032	Glycine	7.88
glycocholate	C26H43NO6	466.3155	465.309	Glycocholic acid	5.34
guanidinoacetate	C3H7N3O2	118.0614	117.0538	Guanidoacetic acid	7.84
guanosine	C10H13N5O5	284.0984	283.0917	Guanosine	5.25
hippurate	C9H9NO3	180.0646	179.0582	Hippuric acid	2.65
histamine	C5H9N3	112.0872	111.0796	Histamine	9.13
histidine	C6H9N3O2	156.0762	155.0695	Histidine	9.19
homoarginine	C7H16N4O2	189.1334	188.1273	Homoarginine	9.15
homocysteine	C4H9NO2S	136.0424	135.0354	Homocysteine	6.99
hydroxyproline	C5H9NO3	132.0655	131.0582	Hydroxyproline	7.84
hypotaurine	C2H7NO2S	110.0273	109.0198	Hypotaurine	7.95
imidazole propionate	C6H8N2O2	141.0656	140.058578	Imidazolepropionic acid	7.42
imidazoleacetate	C5H6N2O2	127.0504	126.0429	Imidazoleacetic acid	8.05
inosine	C10H12N4O5	269.0876	268.0808	Inosine	4.86
isoleucine	C6H13NO2	132.1019	131.0946	Isoleucine	7.06
kynurenate	C10H7NO3	190.0488	189.0426	Kynurenic acid	5.23
L-alpha-glutamyl-L-Lysine	C11H21N3O5	276.1543	275.148122	Glu-Lys	9.64
leucine	C6H13NO2	132.1019	131.0946	Leucine	6.93
leu-gly	C8H16N2O3	189.1223	188.116093	Leu-Gly	7.45
linoleoyl ethanolamide	C20H37NO2	324.2889	323.2824	Linoleoyl-EA	1.99
lysine	C6H14N2O2	147.1124	146.1055	Lysine	9.31
methionine	C5H11NO2S	150.0578	149.0511	Methionine	6.99
methionine sulfoxide	C5H11NO3S	166.0526	165.046	Methionine sulfoxide	8.59
methylguanidine	C2H7N3	74.0713	73.064	Methylguanidine	6.75
methylimidazoleacetate	C6H8N2O2	141.0656	140.0586	Methylimidazoleacetic acid	8.87
methylthioadenosine	C11H15N5O3S	298.0962	297.0896	5'-Methylthioadenosine	4.23
myristoleate	C14H26O2	227.1995	226.1933	Myristoleic acid	1.68
N1-acetylspermidine	C9H21N3O	188.1747	187.1685	N1-Acetylspermidine	9.75
N1-acetylspermine	C12H28N4O	245.2329	244.2263	N1-Acetylspermine	11
N1-methyl-2-pyridone-5-carboxamide	C7H8N2O2	153.0653	152.0586	N1-Methyl-2-pyridone-5-carboxamide	4.3
N2,N2-dimethylguanosine	C12H17N5O5	312.1294	311.12297	N2,N2-Dimethylguanosine	5.32
N4-acetylcytidine	C11H15N3O6	286.1028	285.0961	N4-Acetylcytidine	4.26
N6,N6,N6-trimethyllysine	C9H20N2O2	189.1587	188.1525	N-6-Trimethyllysine	11.16
N6,N6-dimethyllysine	C8H18N2O2	175.1433	174.136828	N(6),N(6)-Dimethyl-lysine	10.2
N6-acetyllysine	C8H16N2O3	189.1222	188.1161	N6-Acetyllysine	8.35
N6-methyllysine	C7H16N2O2	161.1279	160.1212	N(6)-Methyllysine	9.54
N-acetylalanine	C5H9NO3	132.0655	131.0582	N-Acetylalanine	3.61
N-acetylaspartate	C6H9NO5	176.0544	175.0481	N-Acetylaspartic acid	4.56
N-acetylglutamine	C7H12N2O4	189.0858	188.0797	N-Acetylglutamine	7.04
N-acetylhistamine	C7H11N3O	154.0969	153.0902	N-Acetylhistamine	7.7
N-acetylleucine	C8H15NO3	174.1116	173.1052	N-Acetylleucine	2.87
N-acetylmethionine	C7H13NO3S	192.0678	191.0616	N-Acetylmethionine	2.91
N-acetylornithine	C7H14N2O3	175.1068	174.1004	N-Acetylornithine	8.37
N-acetylputrescine	C6H14N2O	131.1179	130.1106	N-Acetylputrescine	7.88
N-acetylserotonin	C12H14N2O2	219.1118	218.1055	N-Acetylserotonin	2.54
N-acetyltryptophan	C13H14N2O3	247.1071	246.1004	N-Acetyl-D-tryptophan	2.81
N-alpha-acetylarginine	C8H16N4O3	217.1285	216.1222	N-Acetylarginine	8.15
N-carbamoyl-beta-alanine	C4H8N2O3	133.0607	132.0535	Ureidopropionic acid	4.13
niacinamide	C6H6N2O	123.0556	122.048	Niacinamide	3.74
nicotinate	C6H5NO2	124.0394	123.032	Nicotinic acid	3.84
N-lauroylglycine	C14H27NO3	258.206	257.199094	N-Lauroylglycine	2.39
N-methylproline	C6H11NO2	130.0863	129.078979	N-Methyl-proline	8.6
NMMA	C7H16N4O2	189.1335	188.1273	Targinine	9.34
ornithine	C5H12N2O2	133.0971	132.0899	Ornithine	9.19
pantothenate	C9H17NO5	220.1169	219.1107	Pantothenic acid	3.04
pantothenol	C9H19NO4	206.1376	205.1314	Pantothenol	3.81
phenylacetylglycine	C10H11NO3	194.08	193.0739	Phenylacetylglycine	2.84
phenylalanine	C9H11NO2	166.0855	165.079	Phenylalanine	6.67
phosphocholine	C5H14NO4P	184.0722	183.066	Choline phosphate	10.8
pipecolate	C6H11NO2	130.0862	129.079	Pipecolic acid	7.95
proline	C5H9NO2	116.0709	115.0633	Proline	8.07
proline-betaine	C7H13NO2	144.1015	143.0946	Proline betaine	9.21
pseudouridine	C9H12N2O6	245.0762	244.0695	Pseudouridine	4.15
pterin	C6H5N5O	164.0559	163.0494	Pterin	4.72
putrescine	C4H12N2	89.1074	88.1	Putrescine	9.3
pyridoxamine	C8H12N2O2	169.0963	168.0899	Pyridoxamine	9.02
S-adenosylhomocysteine	C14H20N6O5S	385.1279	384.1216	S-Adenosylhomocysteine	8.08
S-adenosylmethionine	C15H23N6O5S	399.1436	399.1451	S-Adenosylmethionine	10.07
SDMA	C8H18N4O2	203.1492	202.143	Symmetric dimethyl-arginine	9.58
serine	C3H7NO3	106.0501	105.0426	Serine	7.62
serotonin	C10H12N2O	177.1013	176.095	Serotonin	6.22
S-methyl-L-cysteine-S-oxide	C4H9NO3S	152.0381	151.030316	S-Methylcysteine S-oxide	8.5
taurine	C2H7NO3S	126.0221	125.0147	Taurine	6.08
thiamine	C12H17N4OS	265.1114	265.1123	Thiamine	9.66
threonine	C4H9NO3	120.0659	119.0582	Threonine	7.56
trigonelline	C7H7NO2	138.0547	137.0477	Trigonelline	8.85
trimethylamine-N-oxide	C3H9NO	76.0757	75.0684	Trimethylamine N-oxide	8.12
trimethylbenzene	C9H12	121.1016	120.0939	Trimethylbenzene	2.01
tryptamine	C10H12N2	161.1066	160.1	Tryptamine	6.06
tryptophan	C11H12N2O2	205.0959	204.0899	Tryptophan	6.46
tyramine	C8H11NO	138.0911	137.0841	Tyramine	6.24
tyrosine	C9H11NO3	182.0801	181.0739	Tyrosine	6.77
urate	C5H4N4O3	169.0348	168.0283	Uric acid	4.15
urobilin	C33H46N4O6	595.3475	594.3417	L-Urobilin	6.54
urocanate	C6H6N2O2	139.05	138.0429	Urocanic acid	4.55
valine	C5H11NO2	118.0865	117.079	Valine	7.37
warfarin	C19H16O4	309.1116	308.1049	Warfarin	1.72
xanthine	C5H4N4O2	153.0402	152.0334	Xanthine	3.74
xanthosine	C10H12N4O6	285.0826	284.0757	Xanthosine	4.36
C14:0 LPC	C22H46NO7P	468.3077	467.3012	LPC(14:0)	7.83
C16:1 LPC	C24H48NO7P	494.3236	493.3168	LPC(16:1)	7.75
C16:0 LPC	C24H50NO7P	496.3391	495.3325	LPC(0:0/16:0)	7.68
C18:3 LPC	C26H48NO7P	518.3213	517.3168	LPC(18:3)	7.69
C18:2 LPC	C26H50NO7P	520.3395	519.3325	LPC(0:0/18:2)	7.67
C18:1 LPC A	C26H52NO7P	522.3553	521.3481	LPC(18:1)_hp_a	7.62
C18:1 LPC B	C26H52NO7P	522.3553	521.3481	LPC(18:1)_hp_b	7.49
C18:0 LPC	C26H54NO7P	524.3709	523.3638	LPC(18:0)	7.57
C20:4 LPC	C28H50NO7P	544.3398	543.3325	LPC(20:4)	7.6
C20:3 LPC	C28H52NO7P	546.3531	545.3481	LPC(20:3)	7.45
C20:1 LPC	C28H56NO7P	550.387	549.3794	LPC(20:1)	7.49
C22:6 LPC	C30H50NO7P	568.3378	567.3325	LPC(22:6)	7.43
C22:4 LPC	C30H54NO7P	572.3694	571.3638	LPC(22:4)	7.39
C24:0 LPC	C32H66NO7P	608.464	607.4577	LPC(24:0)	7.26
C16:1 LPC plasmalogen	C24H50NO6P	480.3441	479.3376	LPC(P-16:0)/LPC(O-16:1)	7.51
C18:1 LPC plasmalogen A	C26H54NO6P	508.3757	507.3689	LPC(P-18:0)/LPC(O-18:1)_hp_a	7.72
C18:1 LPC plasmalogen B	C26H54NO6P	508.3758	507.3689	LPC(P-18:0)/LPC(O-18:1)_hp_b	7.39
C16:0 LPE	C21H44NO7P	454.2921	453.2855	LPE(16:0)	6.23
C18:3 LPE	C23H42NO7P	476.2741	475.2699	LPE(18:3)	6.23
C18:2 LPE	C23H44NO7P	478.2923	477.2855	LPE(18:2)	6.22
C18:1 LPE	C23H46NO7P	480.3079	479.3012	LPE(18:1)	6.19
C18:0 LPE A	C23H48NO7P	482.3235	481.3168	LPE(18:0)_hp_a	6.17
C18:0 LPE B	C23H48NO7P	482.3235	481.3168	LPE(18:0)_hp_b	7.75
C20:4 LPE	C25H44NO7P	502.2924	501.2855	LPE(20:4)	6.09
C20:0 LPE	C25H52NO7P	510.355	509.3481	LPE(20:0)	7.62
C22:6 LPE	C27H44NO7P	526.2929	525.2855	LPE(22:6)	6.06
C30:0 PC	C38H76NO8P	706.534	705.5309	PC(30:0)	6.63
C32:2 PC	C40H76NO8P	730.5346	729.5309	PC(32:2)	6.59
C34:4 PC	C42H76NO8P	754.5318	753.5309	PC(34:4)	6.51
C34:3 PC	C42H78NO8P	756.5473	755.5465	PC(34:3)	6.55
C36:2 PC	C44H84NO8P	786.5946	785.5935	PC(36:2)	6.5
C34:3 PC plasmalogen	C42H80NO7P	742.5708	741.5672	PC(P-34:2)/PC(O-34:3)	6.5
C36:5 PC plasmalogen	C44H80NO7P	766.5688	765.5672	PC(P-36:4)/PC(O-36:5)	6.41
C36:3 PE plasmalogen	C41H78NO7P	728.5548	727.5516	PE(P-36:2)/PE(O-36:3)	5.38
C38:7 PC plasmalogen	C46H80NO7P	790.5693	789.5672	PC(P-38:6)/PC(O-38:7)	6.38
C38:6 PC plasmalogen	C46H82NO7P	792.585	791.5829	PC(P-38:5)/PC(O-38:6)	6.38
C34:2 PE	C39H74NO8P	716.5187	715.5152	PE(34:2)	5.46
C34:0 PE	C39H78NO8P	720.5498	719.5465	PE(34:0)	6.61
C36:4 PE	C41H74NO8P	740.5191	739.5152	PE(36:4)	5.39
C36:2 PE	C41H78NO8P	744.5502	743.5465	PE(36:2)	5.43
C38:6 PE	C43H74NO8P	764.5167	763.5152	PE(38:6)	5.37
C38:4 PE	C43H78NO8P	768.5478	767.5465	PE(38:4)	5.36
C40:6 PE	C45H78NO8P	792.5481	791.5465	PE(40:6)	5.35
C34:3 PE plasmalogen	C39H74NO7P	700.5234	699.5203	PE(P-34:2)/PE(O-34:3)	5.41
C34:2 PE plasmalogen	C39H76NO7P	702.539	701.5359	PE(P-34:1)/PE(O-34:2)	5.4
C36:5 PE plasmalogen	C41H74NO7P	724.5237	723.5203	PE(P-36:4)/PE(O-36:5)	5.34
C38:7 PE plasmalogen	C43H74NO7P	748.5215	747.5203	PE(P-38:6)/PE(O-38:7)	5.32
C38:6 PE plasmalogen	C43H76NO7P	750.5371	749.5359	PE(P-38:5)/PE(O-38:6)	5.31
C38:5 PE plasmalogen	C43H78NO7P	752.5524	751.5516	PE(P-38:4)/PE(O-38:5)	5.31
C40:7 PE plasmalogen	C45H78NO7P	776.553	775.5516	PE(P-40:6)/PE(O-40:7)	5.29
C36:2 PS plasmalogen	C42H80NO9P	774.5596	773.5571	PS(P-36:1)/PS(O-36:2)	6.62
C14:0 SM	C37H75N2O6P	675.5387	674.5363	SM(d18:1/14:0)	7.2
C16:1 SM	C39H77N2O6P	701.555	700.5519	SM(d18:1/16:1)	7.14
C16:0 SM	C39H79N2O6P	703.5702	702.5676	SM(d18:1/16:0)	7.13
C18:1 SM	C41H81N2O6P	729.5868	728.5832	SM(d18:1/18:1)	7.06
C18:0 SM	C41H83N2O6P	731.6022	730.5989	SM(d18:1/18:0)	7.05
C20:0 SM	C43H87N2O6P	759.6311	758.6302	SM(d18:1/20:0)	6.98
C22:0 SM	C45H91N2O6P	787.6613	786.6615	SM(d18:1/22:0)	6.93
sphingosine	C18H37NO2	300.289	299.2824	Sphingosine	5.71
phytosphingosine	C18H39NO3	318.2994	317.293	Phytosphingosine	5.82
sphinganine	C18H39NO2	302.3046	301.2981	Sphinganine	5.73
C16:0 Ceramide (d18:1)	C34H67NO3	538.5196	537.5121	Cer(d18:1/16:0)	1.86
C24:1 ceramide (d18:1)	C42H83NO3	648.6261	649.6373	Cer(d18:0/24:1)	1.8
C34:1 DAG	C37H70O5	617.5107	594.5223	DG(34:1)	1.6
METABOLITES_END
#END