#METABOLOMICS WORKBENCH efahy_20230425_000081 DATATRACK_ID:3978 STUDY_ID:ST002659 ANALYSIS_ID:AN004331 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 Adrenal
ST:STUDY_TITLE                   	Powder - Untargeted HILIC-Positive
ST:STUDY_SUMMARY                 	The goal of the endurance exercise training study in young adult rats (internal
ST:STUDY_SUMMARY                 	code: PASS1B-06) was to perform exercise training studies in adult (6 month)
ST:STUDY_SUMMARY                 	F344 rats, and from these rats collect as many tissues as feasible in order to
ST:STUDY_SUMMARY                 	provide high quality samples for detailed analysis by chemical analysis sites.
ST:STUDY_SUMMARY                 	Tissues were collected from 10-12 rats sedentary control rats concurrent with
ST:STUDY_SUMMARY                 	the collection of the 8-week training groups. The 8-week training group and
ST:STUDY_SUMMARY                 	controls were from the same cohort and same age at euthanasia (either 8). For
ST:STUDY_SUMMARY                 	the older age group, an additional set of controls (n=5-6) were collected with
ST:STUDY_SUMMARY                 	the 1-2 week training group. Rats were either sedentary or underwent an exercise
ST:STUDY_SUMMARY                 	training program. Rats were exercised on the rodent treadmill 5 days per week
ST:STUDY_SUMMARY                 	using a progressive training protocol designed to exercise the rats at
ST:STUDY_SUMMARY                 	approximately 70% of VO2max as outlined in the Table on the next page. Training
ST:STUDY_SUMMARY                 	was performed no earlier than 10:00 am and no later than 5:00 pm over 5
ST:STUDY_SUMMARY                 	consecutive days per week. Training was initiated with the treadmill set at 70%
ST:STUDY_SUMMARY                 	of VO2 max (see tables) and 5 degrees grade for 20 minutes. The duration of
ST:STUDY_SUMMARY                 	exercise was increased by one minute each day until day 31 of training (start of
ST:STUDY_SUMMARY                 	week 7), when a duration of 50 min was reached. Speed and grade of each training
ST:STUDY_SUMMARY                 	session increased in larger increments due to treadmill parameters. The highest
ST:STUDY_SUMMARY                 	intensity and duration of training began on day 31. This intensity was
ST:STUDY_SUMMARY                 	maintained for the final 10 days of the protocol to ensure steady state had been
ST:STUDY_SUMMARY                 	achieved. If any rats were unable to perform at least 4 days of training per
ST:STUDY_SUMMARY                 	week they were removed from the study and euthanized. It is important to note
ST:STUDY_SUMMARY                 	that the starting treadmill speed varied depending on the sex and age of the
ST:STUDY_SUMMARY                 	rat. The initial and maximum speeds were based on VO2max measurements obtained
ST:STUDY_SUMMARY                 	during the pre-training testing of the compliant rats. Rats assigned to the
ST:STUDY_SUMMARY                 	control group followed a schedule similar to the training group. They were
ST:STUDY_SUMMARY                 	placed in one lane on the treadmill for 15 minutes/day, 5 days per week. The
ST:STUDY_SUMMARY                 	treadmill was set at 0 m/min at an incline that corresponded to the incline
ST:STUDY_SUMMARY                 	being used by the training group.
ST:INSTITUTE                     	Broad Institute
ST:DEPARTMENT                    	Metabolomics Platform
ST:LABORATORY                    	Clish
ST:LAST_NAME                     	Clish
ST:FIRST_NAME                    	Clary
ST:ADDRESS                       	415 Main St, Cambridge, MA 02142
ST:EMAIL                         	clary@broadinstitute.org
ST:PHONE                         	(617) 714-7654
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Rattus norvegicus
SU:TAXONOMY_ID                   	10116
#SUBJECT_SAMPLE_FACTORS:          	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA01	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0000f_MoTrPAC_PASS1B_HP-PREFA01.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB01	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0000g_MoTrPAC_PASS1B_HP-PREFB01.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed01	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0000h_MoTrPAC_PASS1B_HP-Sed01-ADR.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed02	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0000i_MoTrPAC_PASS1B_HP-Sed02-ADR.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE01	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0000j_MoTrPAC_PASS1B_HP-IPE01-ADR.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE02	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0000k_MoTrPAC_PASS1B_HP-IPE02-ADR.raw
SUBJECT_SAMPLE_FACTORS           	BC49E4EF-E2FE-4269-BAF0-461F768BD95D	90217016003	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0001_MoTrPAC_PASS1B_HP-90217016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	0BD282C7-7832-4581-9089-08A32D557034	90218016003	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0002_MoTrPAC_PASS1B_HP-90218016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	955498F4-70A0-4D50-A2BA-619A8FED8FEF	90222016003	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0003_MoTrPAC_PASS1B_HP-90222016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	CFE06932-9314-4BCC-B2D9-73883D5FCDFB	90223016003	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0004_MoTrPAC_PASS1B_HP-90223016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	3719CB62-B551-49BE-94A0-E51DFE13D30D	90225016003	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0005_MoTrPAC_PASS1B_HP-90225016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	F65955CE-E49F-48C7-B861-02A2FDF6F9B8	90227016003	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0006_MoTrPAC_PASS1B_HP-90227016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	0559B193-BED3-4170-B045-10A2B6441CB6	90229016003	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0007_MoTrPAC_PASS1B_HP-90229016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	90CFE5A4-76FE-4458-A2B1-A66F0B60118E	90232016003	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0008_MoTrPAC_PASS1B_HP-90232016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	F0D83B29-8EFA-4CDE-B1AA-2358AC220ECF	90237016003	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0009_MoTrPAC_PASS1B_HP-90237016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	FCE9ABE6-B60B-4934-BAE5-56AF8B11ECEC	90239016003	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0010_MoTrPAC_PASS1B_HP-90239016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	1628FB23-6F66-47D4-8D82-63C87726F0FD	90245016003	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0011_MoTrPAC_PASS1B_HP-90245016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	69FD4884-786D-4F2A-97B1-6174FBD25D60	90248016003	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0012_MoTrPAC_PASS1B_HP-90248016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	0D5071F5-D166-4CF1-BE8B-EB4DF6E04C0E	90251016003	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0013_MoTrPAC_PASS1B_HP-90251016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	07AF7369-F082-4CA7-99D5-D973F4A162C9	90252016003	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0014_MoTrPAC_PASS1B_HP-90252016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	2479BEE5-2A38-4D09-B15B-B1715F561A9F	90254016003	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0015_MoTrPAC_PASS1B_HP-90254016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	0A4A7935-3AF4-463F-84E3-DCF07671509D	90258016003	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0016_MoTrPAC_PASS1B_HP-90258016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	04C84D7E-FC8C-422F-AE4B-CAFADB63407B	90259016003	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0017_MoTrPAC_PASS1B_HP-90259016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	F9BEE1FA-E2DB-4BE4-A79C-99D585D6FD17	90265016003	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0018_MoTrPAC_PASS1B_HP-90265016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	A77AC89A-1D9E-4516-9DA4-2BE99C8126EF	90266016003	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0019_MoTrPAC_PASS1B_HP-90266016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	2B969165-1A52-43AA-8FD9-39AFA62F094F	90267016003	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0020_MoTrPAC_PASS1B_HP-90267016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA02	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0020a_MoTrPAC_PASS1B_HP-PREFA02.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB02	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0020b_MoTrPAC_PASS1B_HP-PREFB02.raw
SUBJECT_SAMPLE_FACTORS           	22D700B9-EDD0-4BC8-8155-EB9C39417F81	90280016003	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0021_MoTrPAC_PASS1B_HP-90280016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	1CA4210C-3CE6-4A5A-996B-673EBDEB3B81	90281016003	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0022_MoTrPAC_PASS1B_HP-90281016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	9F3E1040-D409-421E-B635-2572DC20ED89	90283016003	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0023_MoTrPAC_PASS1B_HP-90283016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	569A9229-04E8-414A-A195-FE9E8F1B66AB	90289016003	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0024_MoTrPAC_PASS1B_HP-90289016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	E4271AF1-899A-4A65-9D8D-BF18CEE3F1CF	90292016003	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0025_MoTrPAC_PASS1B_HP-90292016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	2E37478F-525F-4E5E-A882-EE75FD0CFB29	90406016003	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0026_MoTrPAC_PASS1B_HP-90406016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	A9CE3E3D-31A0-4443-8A7F-8FD831D79248	90410016003	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0027_MoTrPAC_PASS1B_HP-90410016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	3D5BC47C-BB3D-45A2-8DB8-D7ADCD51997C	90412016003	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0028_MoTrPAC_PASS1B_HP-90412016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	89D6F615-D17C-4EB9-88EB-A602940FF179	90416016003	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0029_MoTrPAC_PASS1B_HP-90416016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6	90420016003	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0030_MoTrPAC_PASS1B_HP-90420016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	6D680EA2-C62B-4A35-8B6E-2ED6A79CB017	90421016003	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0031_MoTrPAC_PASS1B_HP-90421016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	53F914B0-FD4F-4340-84A6-48341EAB3798	90422016003	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0032_MoTrPAC_PASS1B_HP-90422016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	D350D633-8D95-4783-99F2-BB8294D2EC32	90423016003	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0033_MoTrPAC_PASS1B_HP-90423016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	0DBFEB04-1B58-43CF-BAFD-9AA9915B67F6	90426016003	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0034_MoTrPAC_PASS1B_HP-90426016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	10E282EB-1DBA-406E-BD5D-81027083A01D	90430016003	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0035_MoTrPAC_PASS1B_HP-90430016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	4E974304-21EB-42E8-A729-A7FB6B406E64	90439016003	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0036_MoTrPAC_PASS1B_HP-90439016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	6527EC12-E7EB-4F17-BF0A-0AC7CD1819A0	90441016003	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0037_MoTrPAC_PASS1B_HP-90441016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	AEB1611A-F29E-43F8-B9F3-A2BC4F9EB504	90444016003	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0038_MoTrPAC_PASS1B_HP-90444016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	FDA87A8D-3634-4C42-9A1A-0EA03B58BB01	90449016003	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0039_MoTrPAC_PASS1B_HP-90449016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	CDCFA3F1-07ED-4737-A36D-15EFEC325AA5	90450016003	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0040_MoTrPAC_PASS1B_HP-90450016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA03	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0040a_MoTrPAC_PASS1B_HP-PREFA03.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB03	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0040b_MoTrPAC_PASS1B_HP-PREFB03.raw
SUBJECT_SAMPLE_FACTORS           	B73AB139-7210-4498-9CCF-E1DBE6EBA71C	90559016003	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0041_MoTrPAC_PASS1B_HP-90559016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	EA5C8932-9325-4DA5-96BB-50CD49CEDD10	90560016003	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0042_MoTrPAC_PASS1B_HP-90560016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	0645F621-878C-4C9B-84A6-58862BAA17D9	90564016003	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0043_MoTrPAC_PASS1B_HP-90564016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	68083256-8DAA-4185-B446-0CAF600474B5	90567016003	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0044_MoTrPAC_PASS1B_HP-90567016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	6A013AA1-4D1E-4B75-B691-6BA22D928E51	90571016003	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0045_MoTrPAC_PASS1B_HP-90571016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E	90576016003	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0046_MoTrPAC_PASS1B_HP-90576016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	DC8B35E8-4AA8-4829-8569-F223D069620C	90578016003	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0047_MoTrPAC_PASS1B_HP-90578016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	8904857C-2073-4BBA-AC7C-1EC239E5BFF7	90581016003	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0048_MoTrPAC_PASS1B_HP-90581016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	1F9BD644-303F-43E7-94BE-FF6654306F5E	90585016003	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0049_MoTrPAC_PASS1B_HP-90585016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	0409BED3-F9FE-4C06-9920-74F5E5CA04A3	90587016003	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0050_MoTrPAC_PASS1B_HP-90587016003-ADR.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed03	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0050a_MoTrPAC_PASS1B_HP-Sed03-ADR.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed04	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0050b_MoTrPAC_PASS1B_HP-Sed04-ADR.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE03	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0050c_MoTrPAC_PASS1B_HP-IPE03-ADR.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE04	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0050d_MoTrPAC_PASS1B_HP-IPE04-ADR.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA04	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0050e_MoTrPAC_PASS1B_HP-PREFA04.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB04	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0050f_MoTrPAC_PASS1B_HP-PREFB04.raw
#COLLECTION
CO:SAMPLE_TYPE                   	Adrenal gland
#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               	ST002659_AN004331_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	90217016003	90218016003	90222016003	90223016003	90225016003	90227016003	90229016003	90232016003	90237016003	90239016003	90245016003	90248016003	90251016003	90252016003	90254016003	90258016003	90259016003	90265016003	90266016003	90267016003	QC_PREFA02	QC_PREFB02	90280016003	90281016003	90283016003	90289016003	90292016003	90406016003	90410016003	90412016003	90416016003	90420016003	90421016003	90422016003	90423016003	90426016003	90430016003	90439016003	90441016003	90444016003	90449016003	90450016003	QC_PREFA03	QC_PREFB03	90559016003	90560016003	90564016003	90567016003	90571016003	90576016003	90578016003	90581016003	90585016003	90587016003	QC_Sed03	QC_Sed04	QC_IPE03	QC_IPE04	QC_PREFA04	QC_PREFB04
phenylalanine-d8	831447	841124	856542	807235	823156	795266	833522	824563	720868	815138	835168	816350	837191	846485	896857	933066	881944	923713	872724	872497	870574	907064	901468	917444	931592	920127	831447	826494	883513	812429	874029	921191	854518	847181	868876	947108	957854	854367	844553	746446	803548	785480	855377	853670	889106	781813	806176	846948	831447	798935	734989	775055	714906	783516	750250	860800	874150	705769	655283	720145	784067	799552	767264	768737	831447	842087
valine-d8	426224	418460	410419	406378	405764	393605	417560	410228	323782	408179	408160	416267	420790	425820	457343	467439	452654	472783	420822	444131	451711	462862	441128	451026	470011	445262	426224	416979	447824	425372	449942	440865	434372	420278	440097	458463	458788	446486	444702	398783	418282	428680	444095	451779	470164	421518	418308	446919	426224	420869	400129	406846	396123	408965	396199	448872	461305	339350	330168	360006	392636	403578	387788	383115	426224	429750
1-methyladenosine	73811	72311	79009	77843	76587	75712	82741	64606	32536	71971	67591	57919	56777	60633	86382	67224	73051	70881	81076	77313	94398	74878	86268	45145	81636	63132	73811	69406	73949	57075	85398	69333	93040	86592	93533	59398	75075	67144	72217	46641	68954	44017	59583	72013	70777	45397	78161	74641	73811	77743	75308	96317	68494	63068	27566	88526	71090	83913	73011	84500	83927	85422	84761	85828	73811	70847
1-methylhistamine	8236	9984	8843	8995	1180	1248	1910	1975	2265	2219	2215	1843	798	953	8105	7776	6975	4234	5881	8554	5350	10140	12624	9895	10726	5759	8236	8906	13050	10118	6641	10101	8064	8824	8942	11034	12218	9534	7649	6382	8012	7624	9555	10036	9337	6909	10812	10231	8236	7884	3482	8802	8785	4502	1049	5298	6529	6197	9244	7814	52719	52472	7530	7088	8236	8398
1-methylnicotinamide	1276047	1263956	1105637	1099158	1008605	987513	1464571	1395818	918794	1385061	1428183	916675	1028697	1549109	1508467	1188690	1509099	916251	1861608	1315286	1594175	1277172	1380593	1081833	1356321	1307952	1276047	1269978	1253701	1272480	1164142	1481947	1284709	1478435	1421536	1241653	1650441	1424314	1183493	688722	1074577	819904	887208	1198531	1243271	831241	1056841	1683178	1276047	1263128	1148602	1247713	1163344	1560746	413311	2014950	1342056	1474121	2089993	1021410	1026304	1035211	909402	895088	1276047	1275503
21-deoxycortisol	19403092	19213872	11926665	11120516	12673775	11985091	16100811	16569536	10495497	19136191	14774955	11101117	10126389	16524650	16355544	10264400	18752142	16820788	35312756	12989382	27234236	21261202	30394833	12423871	12286395	28401657	19403092	20246801	32936652	12401935	23638539	35961300	19121027	30071145	34602008	27313874	30455987	18895354	26061274	6873492	16948053	5542945	12142515	24958198	19688956	8715463	22458077	24653422	19403092	20391770	15743257	26130618	14051566	26436395	202356	25925003	21198947	31944824	31869703	12097122	13120232	12771514	18362644	17522513	19403092	19012841
2-aminoheptanoate	44698	40518	48048	44706	59435	59954	45955	29849	18954	23671	32017	15651	19450	26896	52788	37947	43831	43362	71028	31866	52954	57188	50189	40124	44303	60701	44698	43538	58896	37802	44647	78380	29550	43488	69337	36571	55303	41879	31572	6142	40930	15632	26487	43807	30208	19066	44521	55249	44698	44931	59326	66276	39027	59921	15792	98540	57509	79990	60403	30004	51727	51737	61896	61524	44698	46191
2'-deoxycytidine	585756	576186	684477	660925	668996	637664	715281	597650	361803	523968	484372	342100	327398	437124	762311	526888	521238	360735	773252	589249	594678	496519	651276	425210	593065	487750	585756	571980	767017	477666	535874	874672	652777	656657	642404	513550	547598	486376	599418	455464	672181	379229	634646	716311	625496	388500	748505	851595	585756	583750	610705	746883	447738	531498	389142	814917	601247	739975	732749	563974	829206	832673	852180	847577	585756	613224
3-methoxytyramine	101713	100628	192245	186147	124868	126041	91726	60791	39964	96442	106136	73736	99383	77068	85470	103238	112972	96977	131569	111966	147460	112896	171302	33366	128303	75453	101713	100179	173116	54150	150097	84594	221985	116271	190569	89655	160367	74933	99801	35483	82120	47086	76598	63982	127844	27756	123434	105157	101713	102066	82632	150600	110549	67033	656	95378	103041	93362	73011	124410	158913	160999	120849	119310	101713	100558
3-methylhistidine	198541	172072	254904	240906	288685	269837	236312	234592	112852	178675	180017	111874	113756	164084	290355	206043	141791	127209	204457	132963	206159	125215	126045	117333	142066	140688	198541	190244	289024	203078	241713	336984	220472	158604	164586	159300	167978	133072	285327	174842	257141	138042	206062	303788	234359	146672	238280	330938	198541	196250	149700	174241	145723	133063	69873	189048	124205	166897	172491	109490	329952	334940	406156	415011	198541	197536
4-guanidinobutanoate	7960	7926	15750	15934	16767	15277	11594	6582	1056	8178	11533	6477	4745	7778	8790	7676	6915	5603	11497	7998	9329	10112	16841	14594	15141	12077	7960	8913	8908	6130	4530	13561	11216	8585	11667	11268	9802	9039	7412	509	6274	8869	12313	11749	9894	4261	8758	11288	7960	8966	4620	9427	3773	8357	6486	9311	10566	7227	10430	7575	24013	23171	14477	14457	7960	7617
5-methylcytidine	128382	124832	150498	143381	157257	148370	148957	126917	69361	121281	110910	83344	65904	99097	168738	111947	114238	82107	191501	138712	136429	128727	141644	127737	141967	118307	128382	126505	182467	101714	109249	196046	139073	146174	148318	128270	145921	127293	132404	86422	137613	70827	136204	162997	129671	75454	162257	188468	128382	133187	130320	157264	94427	122254	85516	197027	130749	157488	159466	123235	184564	175752	187704	179330	128382	131784
5-methylcytosine	128798	114531	72446	71525	72640	72707	85291	93820	77576	96865	106536	76572	44576	64334	80572	73680	152534	125978	261538	155605	244373	220862	220186	153316	167392	222298	128798	134061	155294	87931	68513	134763	94190	182099	224274	185483	228578	218710	85804	39394	80645	50615	64467	55785	77982	43299	88932	71082	128798	123961	159151	213137	130506	159643	83184	189841	144867	180194	179537	114718	80629	81250	86224	81995	128798	125494
7-methylguanine	22368	22188	50306	48145	28010	27413	27323	20362	13316	17550	17193	10933	12407	15553	20763	15263	19854	15418	31676	18642	27044	22518	26364	18079	22677	20246	22368	21957	27888	18698	18526	29888	20906	24412	30757	21057	28418	21583	19935	11078	19295	10870	13663	24059	17365	11089	26506	27297	22368	21320	21288	27762	17614	22950	11233	39947	19832	29377	27681	17239	61214	58420	37394	35253	22368	23245
acetylcholine	984851	1002911	1312331	1313631	1304581	1328451	917257	862793	656116	1690677	1655890	1047216	1075345	1142004	1283232	1049664	863770	847589	975154	764054	1213450	1712291	2450112	367068	1034903	915383	984851	1047115	1462076	812130	1362874	1030743	1490035	1181667	1148325	784321	1282261	793475	894501	370211	966187	474679	1139135	894517	1393518	275586	1411211	1332968	984851	1001908	645435	1416294	1024030	624243	50541	1087966	843962	1013507	747830	616025	661839	671923	656466	669211	984851	997158
adenosine	6452786	6453064	4056981	3975974	5869955	5844780	6917659	13001512	3338905	8798178	9235927	5905872	4022731	6655219	5565648	5447854	4100817	2870741	11658476	3908919	7124019	7076336	8072963	9503590	6550787	5063484	6452786	6532054	6628955	6327276	5860483	9485706	7437530	5063635	10190213	6821394	6952254	5313494	8059680	7255123	4238071	8906692	5653651	12959754	4481165	6945925	6538017	7804659	6452786	6368160	4175548	5395321	6377123	3323059	6620688	6313680	4770457	5262693	6729449	6011741	3910695	3764675	3732491	3670804	6452786	6432359
ADMA	53157083	50708065	107756177	99871738	131391509	127773385	87356712	66812513	41466075	63726630	64329901	38306733	39682557	65522587	91601002	65792611	36185139	33150799	72497977	42995208	60562574	50026331	45244224	34557550	38373229	40822805	53157083	51347436	78417588	55085176	69114075	95548504	62173045	44041539	66444486	45115840	54469166	48077013	57701448	26237905	60014416	25762916	39811936	62395083	52150808	33551404	61913942	88225131	53157083	50850720	34082124	48708547	31394679	34617854	11070335	48267434	37494911	43377744	47836980	25568908	117455880	119607692	164854342	170436792	53157083	54048202
ala-ala	633	700	904	1046	707	762	507	258	119	374	485	174	236	417	638	470	676	960	801	619	865	711	660	867	784	952	633	674	895	726	1200	970	470	405	549	430	703	317	225	82	784	285	501	555	379	384	549	694	633	667	1080	832	786	1159	478	1440	1008	653	459	498	820	926	619	665	633	587
alanine	741341	764409	822096	816755	912998	905324	1239623	866322	558111	669642	728842	526956	482673	767619	702937	553831	803969	641702	1067353	749121	966627	781034	790983	810567	740560	800889	741341	737140	786354	570131	532055	1006952	492013	808293	1027361	898507	988355	883737	716984	421368	718569	465269	591179	818666	619310	394384	691929	747737	741341	769453	836399	1101671	640692	761740	248450	1221957	750993	993222	913499	530370	855798	846676	930472	893734	741341	754906
allantoin	56808	56861	134643	131833	153268	152235	58672	55598	39231	39966	59244	36637	32452	45361	54524	42462	54061	38807	79732	52419	69959	55469	57710	51766	63470	53582	56808	57610	67256	56627	42014	73257	50207	77140	78816	69231	71345	57491	54472	33784	56678	44629	48993	66165	48339	36401	62062	72167	56808	59884	49729	65805	56133	53672	37968	79174	49460	57982	66379	48144	132643	130415	159360	160154	56808	56598
alpha-glycerophosphocholine	45714448	44875190	81825656	81095364	67625752	68057511	47517145	47722718	35177123	42937871	52148889	39293521	20860735	38029320	41756302	49041417	35584962	32576712	42807403	36642651	46657004	48171370	54321772	40695606	47509608	51643278	45714448	45095867	53503607	41658682	32668793	65619095	42925218	57756714	49218915	52667582	58843857	55421394	44431537	34684789	56025296	37792409	49980292	76742541	46253130	41006779	52418334	50817502	45714448	45575375	38271973	49783602	35289117	34306024	27106885	48681064	41116481	43233398	48587228	34125319	80557715	81136946	64375011	64673529	45714448	45380425
anserine	29839	29350	26884	28627	39042	39444	38113	63244	21840	25938	24742	28797	23902	21574	21153	15486	16301	15394	27060	24948	51841	22391	15539	41459	32278	93105	29839	30414	29644	30504	18384	32779	21950	17686	32856	43022	24348	34675	26789	19037	29980	24768	38681	41807	16715	47220	48538	34656	29839	29324	11024	16621	11803	13392	12488	21688	24083	16182	17902	25690	33000	34281	43216	43540	29839	32734
arachidoyl ethanolamide	6583	2529	4	27	10	63	89	2	7337	27	28269	4237	15540	14157	1004	29498	25981	13171	109	16	25038	14174	nan	20803	28957	14491	6583	8402	23	20075	23587	0	1	4	1753	29266	14956	28521	14572	nan	nan	26413	nan	26973	19429	7729	nan	nan	6583	8164	nan	nan	8244	nan	41395	nan	0	nan	nan	nan	nan	nan	nan	nan	6583	8166
arginine	7592682	7460833	8780669	8550874	10717942	10400039	9596300	8751308	6803739	7902271	8884357	6261644	6119760	7998202	9773995	7588084	6512594	5707530	9622560	6289094	9462634	7543776	7642163	6490797	5870753	8129666	7592682	7394815	9138638	8131263	8355690	10169913	8020056	7456940	9670663	8266876	9043816	7876827	7470957	4717707	7713853	3926736	5566319	7304088	6809829	5159693	8312164	9650786	7592682	7727329	7478244	7711132	5600601	6959096	2150026	8525983	7477990	8121359	8575736	5480588	9430431	9540632	11387475	11223198	7592682	7596267
argininosuccinate	4353	3702	4596	4405	6042	5799	10976	6257	4941	5480	5331	3267	3815	7210	6088	6137	2418	3125	5080	2671	6455	3057	4245	2389	2555	2806	4353	5017	5971	3673	5963	8904	5859	3426	5270	3789	5370	4335	6155	2798	4758	2427	2662	4953	3840	2937	5248	5392	4353	4070	4093	4962	3010	4048	47	3777	4022	6206	4751	2482	5463	5318	6878	6780	4353	4362
asparagine	22525968	22344693	27927039	27610685	38014852	37803544	34914489	30476311	22861568	23393398	28300420	21659021	18615062	23631794	27939805	20483916	20891218	18110471	29030670	21971334	28947311	24976791	23490345	22445637	22859163	21815744	22525968	23035389	27345274	22102674	19209071	32011161	19864323	20574148	29718084	24526421	27987713	20772215	23603296	14888852	22827723	14739145	20363078	24484096	21226116	15494495	23159572	28131690	22525968	22800780	18545711	26258629	18944324	18557125	10046131	28444444	20120854	21401170	21140810	17220023	29748439	30397596	37485550	36965167	22525968	23419671
aspartate	421054	421114	522238	526200	379770	370589	563866	487985	528783	406105	400027	271394	275311	446416	470732	437766	455219	478691	565093	424701	616979	489731	591889	319605	400597	409677	421054	423306	461818	296709	365064	553144	451486	578385	546630	427649	621781	466005	456530	222303	382707	275723	321804	380253	357173	216998	386234	383324	421054	419672	418577	586048	429114	407408	85693	544776	428599	540181	451847	321629	525364	528943	357333	353069	421054	426838
beta-alanine	19785657	19520027	18972915	18167063	21484846	21720140	36054423	22831480	13518283	16566899	19470503	13412005	14750341	21615193	19430032	17146999	17118403	15590453	27448364	18585830	20761252	18300755	18793344	18922058	17444569	18572226	19785657	19325671	23797791	16966826	17137732	28157465	18240104	20130013	25259271	21829688	23554973	21925576	19810360	11658055	22989547	12964734	16769218	26041482	17365006	10656575	20923884	26586223	19785657	20828166	18516344	27137140	16528819	18727077	7284118	31715360	20133083	22684158	21584074	12836132	19269143	20021652	22442269	22215332	19785657	19644234
beta-guanidinopropionate	35679	32961	44220	40860	41458	39751	36868	24509	7540	23663	27860	17815	16613	29803	26229	39417	27369	29340	33582	33967	41032	34089	45565	37603	45472	32592	35679	33823	51714	27125	29584	50353	41303	41766	52209	35019	46787	39695	28758	16150	33788	26590	42616	39448	33694	16181	38721	31734	35679	35408	33697	43394	28443	19933	17277	59622	33756	40184	45308	45833	53168	53570	48807	48165	35679	37549
betaine	20892287	20502216	32715593	32708076	26467827	26042420	28828980	21568045	21187004	21184685	25044538	18788931	13331162	17619803	21129971	19750894	17788380	16316700	23180539	18265229	22996771	26135783	31161728	22027392	21040604	22868327	20892287	21017146	19250487	20596650	15202429	24790725	19757858	26098542	24967493	26032663	28820616	24209394	18051223	13648047	20899429	16451692	18211719	22321639	20262348	14429563	20892902	23676888	20892287	20814016	14155314	26374549	16403664	17224984	21021334	20572924	20875916	20510810	21959414	16307294	41251875	40539086	23707344	23521460	20892287	20758345
biliverdin	13470659	17365532	28060513	34052531	34722532	40352723	83938627	80101738	46753650	73492844	54212531	33340746	49608078	61533796	9795606	10006769	7958537	9224960	18505465	16055876	8396253	10829308	16417818	14786775	15485738	13945412	13470659	14010700	17745616	8609084	10586694	17814173	13670154	14912035	20000102	17617422	24565353	18360067	9809290	6154539	12015985	3320872	13264831	13322647	15307853	7441290	12574180	19263362	13470659	13065909	11701017	13859644	8835655	10376605	448725	20774628	12930695	15280025	14636905	14467913	14974912	15788708	15219465	14793989	13470659	13687579
butyrobetaine	1016767	1016077	1367320	1357331	1419389	1400158	1256070	1193578	984805	1355818	1416655	1114339	693424	950633	913752	895776	711568	639678	1223305	910951	1090211	1128272	1396383	989821	1201903	1116571	1016767	1020816	1251453	1009322	934848	1291178	1190964	1205175	1241507	1113344	1292463	987806	866696	596143	892458	747916	838972	1175297	911883	560866	1057130	1130620	1016767	1031547	762449	973063	767369	725792	1086884	1123379	884975	910151	1066295	930362	1300881	1314183	1330242	1351336	1016767	1006653
carnitine	48873860	48436691	46620788	46859926	55372039	55016771	50036218	54384476	33863752	42589555	58038379	35963939	31365939	39034444	43463061	38135965	28396656	23674848	49593273	50729460	38802375	36765042	43872579	80478092	88266595	32488470	48873860	49039440	43418225	62710634	32602515	51115591	38532099	44300012	54225903	63154856	48512987	41934936	38016348	51690343	33841766	64967429	60121865	90991461	58033581	58548748	45745042	44344919	48873860	49415225	26602157	45756051	30287614	28809940	87058086	40581687	34999443	32245965	39583416	61716972	55246178	55784984	53169168	53713203	48873860	49151295
C2 carnitine	52938360	52381307	62746178	61306196	71637423	72029657	69982487	57718411	43218477	55690270	64040700	40228499	39385079	55837332	63664702	50905858	44857937	40464074	44600733	43955333	54346298	49850929	53874825	44826420	52276646	45443556	52938360	52278199	61056736	46042874	48482815	72919730	55524232	52912783	48229614	61476743	63992610	47794976	54051963	43849834	51403832	59501794	57353390	82487826	59340642	52078040	60020841	71059704	52938360	52532016	33859528	57331159	40096622	43730980	58436768	48313440	43446601	48267494	52513413	44596303	57822744	56958431	50651369	51462712	52938360	52949577
C3 carnitine	2068473	2075874	2787708	2825181	3160648	3064552	4676689	2254331	1453002	1966399	2555650	1571228	1774570	2520916	2099386	1823405	2161339	1521668	1995748	2151606	2055897	2220855	1865426	2422939	2735721	1947739	2068473	2047253	2170767	1984719	1774767	2937184	1650214	2130813	2284130	2167068	2348214	2123683	1907271	1569379	2287484	1608495	1785413	2922760	2094677	1411859	2246829	2649081	2068473	2063756	1291787	2264660	1730279	1701175	1187088	2269516	1764918	1942432	2303953	1677835	4222768	4275950	6199663	6238847	2068473	2073967
C3-DC carnitine	17005	15893	5458	5706	17162	16880	6632	18060	3050	4407	17415	5935	4289	4658	7756	5294	3819	3483	5508	31274	5463	4471	5603	51305	70579	3851	17005	17227	4729	24199	3779	13124	4952	8965	12135	32190	13736	8876	11424	30857	4670	38788	30220	79451	25655	33857	14103	6286	17005	16590	3833	12224	6752	6809	85394	10222	6243	5082	14244	45028	7118	7305	7518	7517	17005	17729
C3-DC-CH3 carnitine	81649	85944	120672	119276	198418	194528	92218	82537	29596	97121	143564	46449	35512	70381	62060	50461	31094	26707	96733	106001	60390	54438	130086	203303	143565	62931	81649	82821	80464	125739	46823	89835	84114	108049	126483	199904	157800	87148	52392	24779	34530	55097	76830	128877	119794	33887	86444	68403	81649	82619	67329	113033	26814	31241	48844	79947	42371	34308	67174	70451	129165	128486	158525	159196	81649	78363
C4 carnitine	3726299	3698312	5220728	5191414	7791899	7740509	6849340	3254817	2843921	3526583	4245458	3374141	2777175	4071235	3719423	2913151	4301498	3020020	3990446	3963082	4080788	4423664	4112347	4434300	5006909	3981782	3726299	3702497	3913221	3660071	2912212	4973194	3025618	4537383	3682642	5132497	5131259	4348728	3363284	2409847	3691270	2715304	3342600	5237855	3785039	2427578	3566633	4370400	3726299	3739762	2463167	4307716	2817333	3443957	3074692	4603157	3286244	3749612	4026450	3328258	4186472	4279405	5289424	5269341	3726299	3737326
C4-OH carnitine	1210680	1190172	1592756	1573115	2030803	1969149	2929107	1329361	743241	1052193	1153023	742462	1199349	1540472	1428961	1136167	1436081	1168078	1569975	1418204	1464940	1070648	857044	723563	937084	1171926	1210680	1219151	1540785	850584	1395539	2022616	1352659	856113	1125186	1038391	1376969	1072549	1474417	983243	1449703	787666	862267	1484167	966672	785293	1486404	1773040	1210680	1225250	1069234	1459920	1202499	1105279	509936	1425380	1100905	1663292	1402344	714220	1572916	1600939	1830502	1916830	1210680	1224887
C5 carnitine	749546	751927	2443632	2437523	8806737	8753257	898535	643024	787721	691860	938492	732839	452391	553458	528598	547417	941939	584100	991526	841814	694187	832224	1171867	752363	1301904	844926	749546	782958	679480	743356	522907	707644	617806	1042366	1132089	966180	1164760	682445	863106	493271	636253	791218	729692	1316091	602144	545543	587992	675397	749546	741442	408866	645269	727589	603597	1068401	804666	612580	626292	776130	1108455	2555341	2525102	9442162	9482902	749546	761313
C5:1 carnitine	15973	17078	56760	56122	168556	164741	23745	15727	8660	12129	18875	14649	11109	12513	9800	10542	22819	15603	22680	18670	17702	18693	27113	18933	24663	18370	15973	16813	14647	17061	13406	16575	12916	18110	29238	20579	25206	16759	13829	35662	15847	20789	22721	15586	12883	8293	13918	12036	15973	16531	12459	17599	13298	12373	13389	18314	12659	14134	15865	16831	57691	60915	171870	177774	15973	17482
C6 carnitine	386416	392708	207368	208517	275685	277230	784380	404308	104763	616760	359931	306961	199020	318998	629992	199260	366132	310214	715955	507513	539945	782768	704595	469390	513253	510416	386416	389631	602371	188023	251806	479571	315477	418834	406250	531676	532434	696003	325251	206264	312557	110238	413244	335552	371193	147960	316035	395931	386416	392219	564884	981143	223484	454547	90583	902240	427994	760762	651420	431027	195794	192621	116820	110767	386416	388305
C7 carnitine	12907	12918	25961	25820	67549	65307	32264	12049	3561	13017	17241	11241	8379	12515	12431	9901	12064	7816	12576	10439	12208	15188	14560	15226	16169	12097	12907	12247	17287	12526	7252	16654	9630	13064	12605	15662	16415	13524	13464	7252	12532	8949	11885	17881	12558	7745	13518	16415	12907	13257	8330	15270	7591	10076	10811	17076	11940	12379	13843	12301	22744	25157	27171	26892	12907	13450
C8 carnitine	179839	179482	120525	121364	249758	245994	472147	171873	77295	253057	239369	126205	149360	213875	205212	137682	173729	124990	211356	186529	188651	223513	198996	220848	207344	187278	179839	178732	223275	155724	159213	246649	136644	137889	142932	219836	240684	204558	156877	83509	171518	103853	174119	237195	193311	106516	218483	254650	179839	182533	146455	243348	113521	150328	88239	287689	176772	224145	188575	131185	87994	88143	66871	66897	179839	186145
C10 carnitine	108149	104759	115389	113538	163335	159017	193603	112240	66458	143272	118513	65932	64335	113331	115472	90194	83087	77855	97120	116201	123531	112246	115129	133950	147567	104711	108149	113047	134225	92844	107624	148292	84318	102854	85842	141913	149653	114153	94000	76396	102307	103606	128258	188196	125605	86908	119330	141844	108149	105626	81586	130884	75738	74660	99797	118657	85288	112169	105067	86003	76395	78956	71243	72008	108149	109751
C12 carnitine	266634	272255	234238	235377	339017	337585	408530	244946	171868	346541	245387	142752	134739	262297	231071	227769	204574	229581	321649	263259	354254	331820	328552	270454	327430	292778	266634	261587	310497	183873	262989	396250	236873	270826	244942	315755	428784	316498	239342	150413	268488	200542	275918	426016	287340	179579	263989	340889	266634	252967	234200	357788	188771	204889	147533	305505	231386	330755	299529	175252	203476	204547	213288	205091	266634	262669
C12:1 carnitine	69917	71618	63288	64789	103947	97959	93127	75636	40672	99468	72378	33092	32720	69951	66675	54775	52242	59826	70798	56815	101598	75569	89068	63389	78006	79932	69917	69777	89452	50009	77722	116181	67300	88100	67841	94899	116477	71934	56332	35062	65868	54048	71319	133475	80213	48564	74059	93080	69917	68530	47856	81049	46321	59919	43790	63610	46845	82119	86403	41907	61366	60452	71117	72160	69917	72635
C14 carnitine	906127	890821	710080	684784	1227432	1207582	1416242	748851	489431	903583	719948	450359	390261	750715	688023	719592	720720	838002	1346894	1049724	1041037	1216778	1017618	947110	1179137	990131	906127	908627	956984	616364	764198	1259995	663475	841654	883591	1110892	1589673	1146365	883428	531682	870022	617346	922712	1479192	849876	615319	831209	1143516	906127	903372	827133	1195380	690777	800794	568892	1184118	829222	1235494	1135033	621259	786987	804339	1012105	1036443	906127	926108
C14:1 carnitine	348972	347807	301863	289904	553230	546955	468997	315322	212922	387700	332759	170063	157760	308724	311490	293968	290629	309603	394653	346843	398697	429167	413283	294337	386632	370241	348972	347733	373466	235371	326719	504891	298184	398842	299503	451117	564209	377831	335277	201778	346093	271951	420396	621556	415531	261715	359400	487180	348972	360742	297679	479299	280499	332758	215529	429431	302576	443400	445354	229689	344979	354818	474112	480014	348972	367019
C14:2 carnitine	87787	88002	91614	93804	185557	183845	117714	79754	52726	90257	100280	44104	34180	79066	89485	73065	69404	69097	80228	74888	96661	101423	103147	92570	117442	90787	87787	92669	90161	94237	80094	126280	71926	102602	77354	125177	143643	95135	82881	56522	81944	95510	112461	173137	107345	79455	95809	121266	87787	90304	59977	97575	70214	76297	91035	92959	69122	87015	84600	73978	109801	112760	146542	140271	87787	91289
C16 carnitine	4759382	5014256	3496154	3518918	5540181	5647810	7782732	3369460	2785709	3322494	3067195	2764000	2606999	3681047	3205192	3783508	4999639	5065332	8257159	6695565	5226970	6391639	5981199	6380037	6033196	5874520	4759382	4811523	4277636	2599318	3100469	5199991	2971813	4039273	5655936	5846123	8841526	6199315	5016811	2673297	4285579	2572092	4149711	5729542	3856511	2857011	3830604	5408918	4759382	4737577	5431739	7705993	4103169	5146476	2611985	8325660	5301592	7397602	6182061	3303258	3526111	3510539	4831525	4670999	4759382	4913761
C16-OH carnitine	329350	318370	149479	148260	217656	209168	287099	263644	83018	290495	193327	154708	102301	185029	145051	293709	264034	305232	629982	227128	481032	443054	583527	299652	211430	443082	329350	328024	370053	150770	273719	685508	401405	382700	419480	380307	666705	379427	519545	160298	426310	200747	313761	693461	324531	212831	313473	391886	329350	324331	431949	438214	199401	328833	139134	632900	232190	587704	439471	130890	176102	173012	219371	216348	329350	339515
C18 carnitine	917456	977926	711405	734362	775294	810511	1152529	572443	595792	620855	407562	562030	580870	539410	450555	661644	1234495	1190012	1019412	1308151	974166	1476682	1086718	1187870	1023246	977626	917456	914052	575299	554902	721031	548664	480050	577374	1046558	896313	1260243	1063997	980254	907031	675600	869038	960653	1042227	762648	836945	690127	714526	917456	970248	1284881	1303873	882327	1162679	1074932	1199831	1113179	1066406	933459	913452	779565	721249	662162	661881	917456	904078
C18:1 carnitine	2619647	2677981	2110198	2108206	3314511	3309782	3515568	1638601	1847135	1676167	1302882	1866096	2076853	1767735	1405048	1970303	3780980	3789254	2957765	3844059	2532379	3368147	2843456	2933159	2477416	3312020	2619647	2619932	1754974	1226669	1829058	1824692	1634234	2110916	3089021	2790336	3924002	3199323	2922728	1772675	2609634	1208886	2245835	1753614	2249965	1571225	2020402	2661259	2619647	2651660	3558091	3914238	2669267	3686351	1016834	4339443	3278911	4043312	3290257	1830873	2000442	1984558	2444483	2455872	2619647	2641369
C18:1-OH carnitine	372987	385266	236139	236512	400953	412702	370058	323005	100759	308898	251315	178474	163114	246816	153864	334768	388481	380072	591141	252792	497507	404431	526987	327790	224798	471101	372987	368397	358664	161593	292243	667269	431294	453428	431132	434164	689903	369462	675492	190829	507678	179849	372520	645174	421380	223988	360934	561633	372987	367951	438267	462047	219490	394322	109740	774777	249004	672080	535595	115202	251741	249917	398612	395726	372987	379983
C18:2 carnitine	1842772	1929607	1704556	1755593	3273009	3289148	2955161	1420411	1248132	1142688	1154139	1274119	1102470	1277958	1119360	1408847	2041032	1985681	2605741	2366476	1891451	2455276	2322075	2191660	1904756	2535680	1842772	1883973	1372900	1377187	1239030	1672985	1090073	1666667	2413810	2122545	3141058	2488255	1755615	1261147	1844949	1003919	1582233	1838343	1566395	1110377	1497431	2127640	1842772	1898503	2390668	2863195	1590098	2175585	903619	3386455	2180499	2842409	2389800	1258705	1573780	1568897	2305548	2286681	1842772	1870264
C20 carnitine	81289	74427	50774	47825	74593	77261	97000	62509	30782	49334	56765	40651	24659	34677	39191	45802	132731	92118	117238	124776	85516	90397	78639	226229	199887	86316	81289	82476	53230	45383	41447	75443	51749	75554	100607	111904	134968	86162	84129	59744	68808	32760	89394	180787	70802	48412	68926	81880	81289	79811	78255	108611	49543	82558	57093	122298	81909	107170	110773	56068	54892	53246	68524	70667	81289	90078
C20:4 carnitine	508996	524249	560392	562647	588823	601627	424254	338527	389854	311556	305249	435871	583377	404848	313474	436609	1080534	859790	456771	459888	430697	460975	459928	636306	441442	757083	508996	492662	355504	300502	386751	408489	461213	543875	540683	729466	619554	405816	662807	538695	695744	270191	575259	382743	610067	475238	401709	581784	508996	491523	474003	531301	418291	860536	333124	666449	493455	561298	599477	327060	569552	553016	543970	527634	508996	470258
C26 carnitine	20714	21468	17151	15170	13552	11508	19697	30783	7691	21001	22907	13225	11568	16812	24719	18084	19435	17577	30245	17068	40935	30938	34987	18302	20472	32437	20714	24232	25636	19957	20099	31008	22724	25965	25973	22830	33448	25016	19792	4056	18916	8310	14547	26936	24088	8323	23362	29214	20714	21708	15782	33434	12736	26014	5083	26093	21714	33368	24563	17720	28816	30398	11660	12442	20714	20573
cadaverine	5848	5440	257	207	133	171	3232	36163	6958	1453	4345	3941	1300	3553	2548	2863	4861	785	3634	2848	5166	3441	1908	1067	3005	3674	5848	5713	3753	7781	5063	4502	5248	5789	5548	1306	693	1380	954	69629	10230	4936	9797	1358	1492	1562	2273	3516	5848	5407	6326	12051	2058	1632	2111	2391	1033	2932	9489	3407	91	70	49	61	5848	6063
carnosine	431162	399942	314955	332059	403590	393442	520196	758194	345018	360337	399546	352588	319649	337169	343857	282937	383611	333707	517980	462669	1012122	428512	366807	699672	548654	1276703	431162	464109	396335	450910	248344	455272	339353	377886	493906	741327	472608	640237	357022	222882	404923	306820	558989	607537	220155	582528	479319	464389	431162	431839	242181	339160	230258	292328	292612	519103	392442	364443	327516	365147	345360	325837	396311	377518	431162	415657
C-glycosyltryptophan	30735	27709	35365	33057	36152	35860	45857	38846	17084	32918	42757	24020	21763	36180	37453	30756	30335	22805	48958	29905	39743	36720	39202	23061	29131	28431	30735	30541	40753	24953	26697	49113	28806	37854	37695	32602	46030	34037	33106	11459	32252	15180	24435	41274	31613	15817	34837	50048	30735	33668	27360	37605	23976	23217	9605	43437	29588	38922	32661	22411	36899	35018	39761	36270	30735	31340
choline	14120397	13931601	15343609	15456962	18855547	18719496	18613859	17286345	11169017	13579024	16404831	12582293	11427292	13088509	9630632	11286943	10495847	8692545	20077360	14970137	14307887	14502482	12899663	15584014	20239073	13506978	14120397	13924423	14891101	14017580	10240252	14830654	11958883	13422978	23857792	14130428	17794494	15218641	12488995	12992033	12044458	10305526	11747807	18710027	10666858	10152195	13317374	13335559	14120397	13965075	13138051	14201519	11460805	10214292	16139142	16334973	13763452	13180164	13860597	15776279	17614270	17820977	20913619	20721319	14120397	14026535
citrulline	189351	187403	180533	178602	258297	250126	130291	135143	111698	95545	161329	117308	93676	109669	160142	117542	268551	189567	280780	223661	271449	226753	238241	275269	279180	261391	189351	188223	119256	137275	78576	155801	108564	288873	254733	311442	309306	237144	147457	112055	163029	132613	143840	173455	149824	114188	150708	183478	189351	188097	209945	275400	241669	263902	190484	273144	253653	246087	281569	201001	185596	188052	255200	255101	189351	192245
cortisol	362842	370264	153537	146680	179959	179739	331364	285569	228124	250031	263707	251298	139113	222792	195230	201237	412174	343762	708646	272109	589684	545092	617283	282958	280074	542910	362842	393650	533995	157337	341839	583715	222482	572915	656802	638192	767834	464896	388246	110239	232751	93472	151501	413685	279096	111933	340675	223780	362842	368519	294135	577251	317909	585132	417	465303	377775	611918	568753	215571	188083	171389	252279	238503	362842	397015
cortisone	104794	105907	85556	78174	85889	78291	111462	78921	47465	94806	98593	52990	38018	64147	93197	75314	115701	71190	318156	130882	170166	183270	160971	106428	102508	152539	104794	114550	122743	58015	68400	135127	66778	169640	214569	180115	205364	171892	88907	32031	47598	39244	42689	70132	55726	18807	107028	92462	104794	107807	99837	159978	94055	165626	173	203431	143729	154217	172467	88224	81792	82364	91409	86735	104794	107059
creatine	8303640	8205649	9244439	9234927	10722629	10484304	6372894	7537187	5873932	6587168	8915724	6388992	4663532	6176257	6759349	6618978	6070958	5522958	6267819	8587218	7430799	7120258	9137474	12517583	12698210	7060119	8303640	8275886	8170273	8705881	6532298	8076365	7098038	8307532	8344826	10520358	9540973	7316423	7148906	8035923	6585875	12401056	11846459	12762145	9802710	9479467	8115950	7624905	8303640	8308976	5806253	7691707	7036973	5476980	12741323	8713827	6577354	7176188	8121878	9600136	9163181	9425930	9710666	9706690	8303640	8306170
creatinine	230514	238662	585971	579734	403998	417879	272322	283929	198055	222664	252920	183811	190692	219667	229507	172681	185526	150532	262653	175938	225377	188849	198494	209025	252234	216464	230514	222665	253244	268987	194605	276049	184831	232901	255147	276699	262019	207878	232349	215264	210243	237709	228150	301384	223248	227802	240923	291869	230514	237734	191862	245561	224330	238274	394758	284254	203571	232969	293403	198926	501538	524637	394282	394149	230514	236705
cyclohexylamine	251522	253130	131044	130888	97860	100514	167443	586437	212898	102684	104071	122067	126833	107148	107926	119354	79861	60925	118775	154087	103918	59367	112747	94132	98361	98621	251522	247845	144005	161546	74977	177500	202646	255402	82444	52043	73729	106508	59147	2187949	248347	150498	278214	117234	83095	102205	102578	490634	251522	252555	662342	605440	168868	178244	156816	233319	151689	106515	1087825	205454	78045	81541	123379	122134	251522	252991
cytidine	2683278	2643881	3744700	3509075	3792106	3664282	3452944	2388979	1602085	2052690	2367026	1559978	1931300	2535760	3003393	2855885	2611131	2191639	3380333	2183824	2968716	2509580	2648691	2340790	2182177	2531382	2683278	2626336	3234359	2353403	2260368	3717172	2645849	2606157	3401956	2622083	3032394	2528021	2992340	1682840	3052180	1625036	2080466	2946953	2375253	1561196	3141877	3251404	2683278	2754400	2465929	2934126	2161278	2365475	776606	3589304	2411989	3186702	2951732	1728277	4417051	4325276	4934054	4908463	2683278	2786452
dimethylglycine	70207	71853	81701	82214	109648	109299	145674	101478	46437	86411	102230	48669	44072	78855	79494	58657	63793	46643	148866	64470	107492	62085	78019	50992	66267	74860	70207	71813	92381	60077	62205	135892	76140	88877	116418	68235	91332	77901	67728	39128	64133	37328	49520	95248	65208	36047	81056	134318	70207	72139	58814	80866	63693	67440	29982	138092	67998	104821	135355	45059	88216	92389	110306	113878	70207	72961
ectoine	22428	21086	79367	77512	66742	65565	27560	17399	13490	22251	22036	16969	11293	14459	23599	21588	18986	18571	21086	10153	17084	25448	30920	27624	15048	19881	22428	22474	9141	16503	12596	42742	28267	15898	17038	25145	19596	20711	19945	11012	27319	12766	19793	17236	24152	9733	26352	25708	22428	22638	24628	56997	20082	40147	17711	30089	45321	21111	41581	24669	75980	73983	71815	74551	22428	21964
GABA	4982056	4765184	3940408	3876451	4188911	4181938	4571959	3946489	2436886	3152252	3414945	2547714	3310164	3595976	4054237	3329195	7663957	5947922	8242751	8255906	7788118	4252182	3879217	3862641	7307857	3912407	4982056	4949292	3712297	3010514	3862005	4291311	3611998	4932577	6509814	4063785	4979625	4591994	3718308	3094061	3842316	3422168	4357234	5136915	3089321	3772446	3573397	4262934	4982056	4724481	6687861	6583817	6847243	6944499	5548153	10685311	5919108	8286702	7128530	7045390	4117251	4187692	4045160	4096471	4982056	5223741
glutamate	860133	881666	1337162	1355363	1060041	1054500	1438908	743368	701475	732387	898327	642206	624042	934183	879408	896043	886965	1035027	736018	903127	1081047	942823	1131808	960583	905317	853922	860133	846278	844992	692878	683766	1140354	879844	1084783	978162	895746	1154196	940406	854789	593453	888032	738425	797132	837627	792442	557887	793704	741244	860133	860557	947822	1203899	802022	726922	522562	980567	858287	951634	862405	733668	1271712	1297048	1015626	1029793	860133	860422
glutamine	2926634	3010625	3574186	3604245	4692758	4613724	5228174	3801086	2370681	2954683	3409255	2305523	2248052	3618780	3682311	3262901	2831494	2354277	2846317	2338614	2890518	2356044	2417985	2763199	2887950	2504956	2926634	2895878	3299411	2803112	2542828	4813517	2711982	2998146	2785080	3162294	3406161	2600553	3760555	2375142	3544951	2955380	3280962	4729207	3226001	2311990	3293139	4286883	2926634	2940236	2387038	3506791	2187879	2208217	2140358	3122650	2425830	2668322	2697034	2059524	3725082	3761275	4290175	4281648	2926634	2973054
glutathione reduced	9852206	9750667	9926141	9745617	10403046	10333852	11819737	12108953	3769896	9878481	11005872	7781504	7989695	11227681	13004484	10992112	10657405	10280309	15755246	10960136	13674581	11503714	12567835	9888511	9605278	11588736	9852206	9893705	10803556	7823876	8758403	11825064	9703843	10531243	10521574	12676357	14043422	12091130	11630215	5365857	9937339	5039816	8626631	12799762	10659450	5924967	10850091	10754153	9852206	9992277	7885920	9875305	6638846	8401157	1055708	10605041	7936973	9890056	12290230	7526192	10873607	10987580	12371772	12377557	9852206	9999474
glycine	63319	63375	108252	107849	139229	137619	86498	81534	52017	60006	71312	53156	49103	69028	60651	65041	64366	55341	77262	57809	87921	61655	72163	58474	63923	63626	63319	63206	70325	51803	49508	72100	62790	66284	86014	77421	77102	66308	75150	38825	69389	37338	58592	67461	57127	39414	68542	84606	63319	62136	55088	78936	59026	57860	30804	79650	59097	67876	69284	45526	118384	116569	138030	137499	63319	64598
guanidinoacetate	13670	13705	30691	30060	19515	19497	13467	17307	9401	12011	16311	12013	10216	10353	15330	10524	16684	10776	10171	13723	11877	11328	15450	21377	24850	13541	13670	14568	11576	12257	10836	13103	11913	14952	10560	19845	13456	12641	16408	13237	13527	10976	18807	22795	17355	11459	13759	16630	13670	14483	8275	15755	10811	11328	15486	11665	10082	10597	12561	10582	63111	63264	21049	22121	13670	13354
guanosine	1565413	1596758	2285993	2351989	2194223	2181755	1762160	1554033	1366740	2630024	2607998	1990067	1874138	1949639	1456191	1766309	1393721	1344178	1641916	1408506	1955348	1979560	3459173	869272	1500043	1676372	1565413	1544572	2192310	1309562	1938680	1573084	2589045	1784827	2611613	1232408	2248916	1090119	1463561	938908	1160529	919872	1121363	1085068	1443234	617408	1740930	1569884	1565413	1564503	1124645	1954597	1410116	985138	431898	1537160	1336916	1479807	1126815	1493483	1321246	1284932	1046548	1057501	1565413	1571305
histamine	3274117	3275264	2149199	2117951	2082527	2055001	4672192	4360103	4741898	4185731	4039690	3030002	1107530	2346597	3299890	2991930	3020965	1555771	1162597	2716835	1827470	3540429	1947620	4524303	4058222	1978499	3274117	3260673	3877214	2606985	1655929	3624936	1033893	3223191	1986899	4711722	4103672	4147876	3359742	3500793	3900773	3872030	4553029	5190665	3811857	3606547	4230109	4596081	3274117	3260501	1786505	4354747	3981592	2646127	575986	2365488	3191294	2715147	4171619	3459118	2250632	2255078	2445248	2395056	3274117	3292594
histidine	200631	189098	163217	142741	186515	168421	172406	144366	91313	102101	111776	82657	63446	90040	257282	204814	212967	170778	243767	195504	275017	215873	198345	199394	203301	199427	200631	194603	217413	185915	168324	245473	163607	201577	212649	204233	228683	180987	233460	143740	216686	131097	173937	222956	199405	143421	206514	250550	200631	198740	216413	238188	171198	182868	111572	255277	186901	211900	200034	166982	205844	215785	271352	269528	200631	205606
homoarginine	60465	59836	70755	68399	81385	79514	68437	60301	33468	48900	65796	42456	35892	48042	57852	37761	96902	58400	97082	37018	103438	49489	59179	45761	51972	80201	60465	57961	49218	51937	53035	66966	59756	67616	95231	49573	66392	46717	42579	24802	59144	17845	27660	44416	44485	22291	51490	55889	60465	60232	80496	74418	54240	127030	20440	145196	86257	114183	139507	48208	76274	76377	83627	80604	60465	58948
hydroxyproline	213748	211500	260517	258939	338031	333736	343730	287908	181577	215627	268889	190005	173607	243927	287064	212288	205306	176255	234477	185439	253663	202654	208484	198342	196380	186163	213748	215390	290541	233266	183172	313482	199211	205094	236461	233846	244559	189232	274367	150710	249437	147384	207618	266901	218527	137778	229155	290491	213748	217929	165191	227710	158124	171363	87379	240202	174964	191095	213587	145348	293123	295205	353015	348870	213748	221731
hypotaurine	80884	80898	63351	62136	62846	61251	89193	58010	27210	50020	68593	37733	45362	67345	62297	59684	83118	77901	155507	100322	87464	103061	124591	109443	95933	91336	80884	77553	65652	44298	43124	86206	54027	103542	152999	128466	122488	108974	55007	35078	61758	39164	65195	75457	67218	33426	64685	70572	80884	81341	85839	101115	101538	87070	19168	162656	133942	103127	152494	93177	64743	65624	65359	65115	80884	81879
imidazole propionate	48788	47699	89463	88923	81694	78059	134173	52599	21381	40779	48323	55878	41923	92277	37650	62398	23809	19931	47343	58150	22453	29992	29655	42767	28740	32191	48788	46463	105849	94843	47284	99999	78238	76843	28907	38862	19434	23488	67755	49543	57654	29519	53059	72301	55346	43250	59478	97803	48788	50753	13146	19152	35161	23408	19386	39291	30805	25448	44215	16051	137064	137639	91006	90358	48788	49103
imidazoleacetate	21277	20965	32573	32262	34771	32897	16834	29197	3184	14564	26542	17114	9387	9653	14839	13068	10908	7753	13606	15380	17362	20199	11478	16018	17596	10614	21277	20994	21408	57553	12208	16891	13759	13635	58258	19928	28063	27872	30007	32751	20799	33431	34679	23789	22799	28499	31341	21911	21277	21782	8417	23791	53896	15879	5058	19219	17327	17037	14475	15499	37367	37880	64436	64276	21277	20875
inosine	3777295	3892576	5411799	5260192	4748569	4571552	5743959	7638501	2418856	4342308	5812481	3697233	3185869	4691401	4329438	4061374	3338400	2376533	9617496	3006976	6202722	4438619	3359009	4094601	2542498	3635361	3777295	3693669	5531634	3263808	3215835	6002765	3575479	2746313	7547824	3050579	5346346	3701062	3934365	3402932	3298962	3124354	2640329	3874711	2275496	2696976	3921035	4786124	3777295	3784482	2220613	3374734	2566874	2487443	4491433	4203461	3118247	3587954	3560586	2769495	6557941	6603223	6890725	6729295	3777295	3814957
isoleucine	131945853	127095787	140519671	140941651	172639126	170769184	183184739	156203920	94999673	120758116	160924352	103742921	91086752	130284435	148705080	106883807	127735489	95747307	229973109	146495898	180012287	155897087	141268437	113963481	158580085	136853122	131945853	128960366	151487049	102747451	101784649	199572012	118320609	150174545	204723241	139991747	182255689	143381893	128067340	68222273	114448650	78988506	96542598	143450190	102789488	75222741	132246188	148866379	131945853	131557897	116046966	145349121	133030651	121091772	56627992	187773017	125919807	142860577	149063616	114130436	155246495	152995587	183474211	182738602	131945853	133295615
L-alpha-glutamyl-L-Lysine	1519	1459	2147	2144	2109	2245	2617	2173	1623	1613	2143	1224	1395	2273	1755	1633	1096	912	1321	1056	1379	1123	1028	1077	1096	1009	1519	1235	1796	1278	1411	1911	1292	1353	1261	1268	1536	1168	1567	1379	1856	950	1292	1963	1727	1117	2052	2385	1519	1666	1358	1909	1478	1470	727	2317	1338	1468	1586	972	2842	2501	2924	2690	1519	1597
leucine	223520693	223332424	249537520	238789484	294198275	287240341	328463508	271564154	174058806	213124638	277688456	185883995	153669222	225326148	252136688	186229302	229710486	166800813	399238846	234832420	308437283	275803569	240270978	207915473	276502831	237918473	223520693	224261664	266768918	176787529	174375470	340081344	195401030	235384448	363915666	244873307	319524283	246396009	211623908	110379387	187126439	131169924	157518844	236244661	175029836	123670423	223642797	242926779	223520693	222319005	196100641	251036904	204374783	200385507	94534378	324688871	212189236	235961633	247216898	177571179	263495610	262377045	312917034	310921160	223520693	227086175
leu-gly	3904	3797	10541	10015	7614	7105	6406	5329	2080	4287	5420	2878	3137	4101	4169	3008	3134	3898	5367	4016	4972	4125	4834	3644	4398	4184	3904	3093	3129	1629	3708	5989	4057	4005	5506	3453	5418	3025	2691	365	3579	1526	2920	4062	2345	1536	3651	4338	3904	4514	3597	3995	2294	3405	1495	5215	4085	3668	4613	3682	8286	9329	6130	6167	3904	4348
linoleoyl ethanolamide	201236	195350	158378	142210	205480	197141	102411	107163	233141	114236	245589	280073	246106	287707	221124	270038	275104	306287	158268	127889	278237	339202	124976	319274	314132	346380	201236	195849	94255	283822	326385	125775	107478	75040	300770	284691	248863	272762	277640	68814	127500	395966	109062	305900	318866	306563	159942	122113	201236	200946	99884	126301	259146	148993	284940	106870	150353	156089	96230	118804	131146	140788	142563	135454	201236	191654
lysine	5427971	5482453	6075157	5805564	8687557	8494664	7524093	6637985	5006739	5991823	7125763	4052584	3424313	5447592	7195049	4874562	5632491	4044040	7467074	5236340	7439517	5633141	5165263	4191494	4705011	5748865	5427971	5482857	6636259	5231971	5267069	7272662	4800612	6586296	7993322	6056658	7424114	5910262	5183338	2675923	5255922	2016466	3544454	5142292	4337553	2832129	5692929	7034810	5427971	5387566	5917606	6643719	4818784	5938882	506462	8139676	6401154	6858499	8081513	4311013	6162369	6318928	8589828	8607062	5427971	5588956
metanephrine	846985	865044	876712	868787	634093	611714	600438	709301	587618	1105875	1012633	769975	949460	666142	683100	787336	795169	876685	1282946	860420	1252707	1121736	2306715	237582	576784	1116345	846985	836472	1176772	579529	1220158	624689	1463801	1187140	1700641	650794	1244251	638012	599076	216668	577404	248768	441758	370836	795634	153612	768498	752160	846985	837760	579831	1018945	863032	499420	4128	778401	817462	904552	689017	902308	740814	726283	659130	652534	846985	863767
methionine	236487	241067	300496	298644	480377	487683	335343	329490	190856	262864	311968	197824	179771	237582	272347	199576	203614	147207	360722	207078	307087	260736	263242	207856	254295	223417	236487	233249	301003	225555	202555	345251	212155	242015	365747	254708	316742	232131	261587	139826	226784	150352	194518	306326	225207	144755	261663	307986	236487	244860	173938	248940	195643	187262	113982	316548	215667	234531	254802	179169	323392	322125	522019	513383	236487	239773
methionine sulfoxide	15438	15918	28836	29592	50144	49630	23182	22386	12941	20995	27462	15178	9614	18660	18818	13356	13326	10622	19572	10138	18368	16013	18785	12375	10002	17300	15438	14598	23544	14636	13675	28810	16799	21860	18095	18748	22773	15709	21020	7304	19628	7952	10777	17218	15270	7365	18105	26259	15438	15216	9686	18153	11550	13771	2110	22570	13803	17034	21641	8134	28344	29467	46549	47811	15438	15655
methyl N-methylanthranilate	17735782	18002027	22900797	28659464	28058526	26932436	31355113	27721927	22406107	23502295	35198400	33151504	30222499	29269708	15349237	14943427	16208906	13875559	8933059	17919452	15663677	17479706	20924530	25767263	8840211	14348747	17735782	16839438	17712212	19088256	15113414	18944212	18987120	25485776	20499749	24496258	16734673	22733587	15853658	12176667	12281252	10720721	12190638	14029764	10300049	14567113	12097780	18491794	17735782	18450623	17100081	15644167	16874744	16878611	5223455	9690972	14878109	14614207	12623050	14940514	14927371	17496780	19881641	18193508	17735782	19582776
methylguanidine	1882	2073	2745	2823	1809	1923	3320	1789	1183	1746	2157	1830	854	1176	2139	1235	924	1072	1511	816	1372	2073	1968	2613	1683	1905	1882	1617	3544	3250	1087	2384	1617	1652	2187	1965	1618	2109	915	1035	1864	1107	1060	1416	1892	858	1394	2268	1882	2082	1519	2938	1245	2806	1227	2793	3451	1536	2835	2121	2272	2254	1456	1526	1882	1904
methylimidazoleacetate	5670	5133	15372	14146	11974	10342	5801	7786	4114	6861	4663	9830	5264	4343	5024	4260	3991	3584	4339	3968	5388	3154	3355	2004	3840	8344	5670	6437	7196	6493	6308	11360	8367	8985	2874	3078	2491	3544	6288	3312	3079	4443	2526	7531	3346	6592	4910	9670	5670	5310	2976	2760	8305	6352	2773	7131	4951	10407	6743	7431	16611	16967	13450	13098	5670	5202
methylthioadenosine	1122719	1240438	1266176	1363390	1607977	1774047	2316702	1991126	1770432	1946810	2185992	1466783	1394431	2347387	723095	883626	719614	703985	706747	638124	902714	703920	769655	1004559	1277924	1114054	1122719	1189559	1098706	951899	917874	1263482	936798	1210720	1154928	1640413	1584336	1235635	711203	383269	735307	548861	692958	1067762	1115832	804637	891943	1067315	1122719	1139139	882044	914330	750139	977153	655937	1712975	1308729	718858	675188	531336	737608	747091	848470	865387	1122719	1130730
N1-acetylspermidine	248515	245378	459129	446137	486184	474436	346366	255887	207778	274545	270729	192500	224097	294090	274401	206303	286909	229296	405857	309231	291629	284880	311097	252397	309493	218007	248515	242073	266646	188184	230399	257882	241029	303393	394508	251894	354159	276914	200595	103855	199310	135240	190773	241444	219776	115702	249768	312514	248515	242924	234918	316272	219592	220203	96127	314983	233893	276329	268632	235197	445249	459458	486455	487448	248515	249711
N1-methyl-2-pyridone-5-carboxamide	28938	28067	39029	38325	38008	36286	21010	21821	15897	23920	24817	13945	18037	25258	24240	21980	28109	19926	46391	31509	39498	33420	33069	29258	48147	38766	28938	30073	27129	23642	24686	31784	26835	34654	41367	29139	38689	31721	21747	12499	18842	17157	17263	26736	20649	19942	20393	30985	28938	27813	24035	20119	24489	34203	20546	46351	30137	30668	37247	26069	36612	36158	35527	35424	28938	29065
N4-acetylcytidine	83772	81879	42601	38757	47613	45891	42688	50645	33315	62259	51427	30014	22564	34571	38701	32116	112933	92268	170781	105617	156621	110993	121670	99423	111025	112849	83772	85945	96931	42042	51057	75499	52848	99131	140362	116628	162646	111633	50952	15704	36463	25838	39806	49013	39961	23529	52315	45386	83772	83785	101050	142776	100549	117317	57915	139131	101550	149252	112182	96083	53101	50081	53620	53252	83772	84646
N6,N6,N6-trimethyllysine	709522	672881	568327	539128	637729	591378	659752	691619	448951	559074	644268	385152	350689	470628	718520	464008	626299	524480	1232599	671007	958714	787251	843723	690680	745313	786622	709522	682531	819806	546840	587732	870051	588402	824136	1067213	909588	1123609	879975	541377	388636	550627	316510	590695	770627	649752	375032	640895	848595	709522	713191	691917	921066	636314	690983	247717	1025252	756898	869946	1065504	595469	619300	614360	675295	680177	709522	714971
N6,N6-dimethyllysine	8494	8058	9044	9410	11096	11432	8891	8523	8534	5983	6749	4471	3738	5285	10582	7359	8340	6083	10651	7690	13943	10033	8785	5840	7329	7620	8494	8142	9655	7124	7257	10486	7393	9071	11243	8481	10529	9294	7971	4776	8432	4030	6141	9777	7339	4161	9894	10797	8494	7998	8506	11774	8328	7572	2183	12889	8376	10528	10889	6991	11457	10942	15988	15582	8494	9173
N6-acetyllysine	42780	41742	56284	56511	55444	52142	48136	44352	27866	44116	46364	33163	21245	34982	44644	34199	39252	29555	68276	37530	57796	51162	54513	32340	36546	50103	42780	42933	54778	39536	37607	60451	41977	56005	61051	46516	61167	50249	37333	18283	41396	19100	31110	46724	34990	17755	43891	53633	42780	41535	44028	50968	36429	46504	6444	68925	46338	53103	64404	30347	64835	63995	58547	58907	42780	43658
N6-methyllysine	12947	12390	20216	19108	22209	21318	14545	10703	8974	8361	12004	7699	5736	8648	15621	11616	13461	10006	18183	13307	17214	14882	14284	15192	14998	13075	12947	12616	13434	11237	9822	17212	10577	15236	16797	15124	16547	13104	10356	7053	13468	7120	9474	13716	11457	7837	12557	15044	12947	12679	10793	16338	11408	13013	9264	15944	13546	15035	16655	12230	22122	23077	27179	27131	12947	12382
N-acetylaspartate	28148	30784	33551	33103	37067	37362	31238	23990	14612	33263	35522	23288	23652	28061	28957	30671	24176	21068	23681	21674	23702	33418	56071	15598	19914	27007	28148	29108	32796	18280	32643	26626	39016	29637	40364	22286	41251	18477	23111	6095	23001	75745	131032	24991	28433	8794	35670	27847	28148	27635	17026	36236	20131	13646	14417	22311	21900	20557	24073	21804	28341	29007	35006	35276	28148	27791
N-acetylglutamine	537	1249	4243	3459	1568	2361	2035	336	nan	329	1784	942	245	1450	439	602	398	396	671	247	761	418	319	484	243	253	537	663	676	649	348	1071	164	608	497	788	779	494	850	nan	877	309	689	740	486	388	779	1008	537	571	223	854	451	324	nan	647	343	502	641	399	2184	2215	1297	1108	537	581
N-acetylhistamine	31514	31458	34983	35853	23157	22970	72795	37901	32502	36981	47007	41172	28056	53544	63293	39374	17409	13091	22984	22014	28483	17427	16339	22123	20788	20116	31514	32218	39947	49193	42394	64980	39173	30584	21941	18188	19732	25177	44410	20993	53950	34503	33317	54863	33844	25874	42819	53730	31514	32571	15058	17061	14597	22601	3710	19242	22510	18679	26262	14321	38124	36959	25145	26077	31514	31680
N-acetylleucine	89202	89933	80793	80269	120967	118822	84994	82207	146888	47853	117581	63029	58211	61715	46977	73635	78048	44716	77277	153931	76553	50819	235294	51263	170965	59820	89202	89391	128668	161965	63009	70804	215786	66883	69592	45737	46945	71729	32716	157924	137308	63650	40295	47931	37128	41733	51104	48517	89202	86524	213168	130721	113612	290407	84307	50821	76941	54995	52847	31458	66097	64216	45232	44658	89202	92001
N-acetylmethionine	304664	275250	399447	413963	477306	475206	478742	840359	156065	198712	244483	132123	268887	160794	227551	397341	193682	147842	1566860	216367	463242	335738	242780	132804	136944	288679	304664	290357	377129	138037	263629	483036	138509	175400	1511224	213017	559939	384320	132956	6033	137362	96032	201961	197249	123988	57308	280569	356098	304664	289327	171224	227498	121899	306723	9280	295019	359538	284511	197629	118626	1088351	1129130	1719504	1714304	304664	283048
N-acetylornithine	61826	59013	92153	91351	112701	110917	91757	75857	53475	74585	78737	58686	41369	66865	75670	61385	42382	39771	97595	47061	67441	61361	68442	55985	49831	58809	61826	61266	70307	50515	50236	100205	69139	67385	72641	65691	84787	67132	79163	36484	73676	43482	59204	74717	59839	40403	65647	89475	61826	59887	48228	62255	46421	41789	25904	62557	50674	49971	55835	38427	98140	100818	113221	114129	61826	62277
N-acetylputrescine	5575	6195	8874	9026	5157	4842	4998	3233	2972	2745	3993	2158	4530	4861	5571	6081	6557	7947	7600	8223	4519	4711	5230	4927	5743	6528	5575	5602	4947	3539	5689	4676	5795	5675	6425	4622	4946	5918	4373	2994	6965	2979	5702	8692	3531	3206	5407	5820	5575	5800	3198	6124	5547	5838	1504	10565	5824	9919	5957	3902	14257	15631	6918	7139	5575	5735
N-acetylserotonin	2437	2104	444	643	301	362	1372	3057	nan	1774	nan	nan	nan	nan	2166	nan	nan	nan	3744	2804	nan	nan	3029	35	nan	nan	2437	2458	5532	nan	nan	3327	3842	10377	nan	nan	nan	nan	nan	13399	4981	nan	5994	nan	nan	nan	2583	3859	2437	2179	1955	9012	nan	3729	503	5324	4426	4126	3901	2874	354	281	410	770	2437	2274
N-alpha-acetylarginine	75145	70235	82909	83591	89011	83848	82544	64856	27954	58857	65411	44702	38319	66603	93593	55286	59790	51087	126905	54730	105720	84955	87547	65538	50430	83104	75145	74767	103506	71965	68077	112958	72546	75347	117509	98681	116861	96633	59248	29228	66397	30120	46136	66739	64234	30361	77824	94301	75145	71024	72041	81425	58805	75827	3232	96696	71736	85801	101861	54140	99779	100873	109780	110021	75145	74017
N-carbamoyl-beta-alanine	4209	4002	7288	6796	4824	4651	3689	3534	2406	2955	2895	2950	3878	2519	3907	2997	4250	2422	4268	5890	3775	2853	3185	4519	7505	3369	4209	4356	4180	4356	2628	4717	2704	5893	5540	4222	4424	3815	5044	2988	3749	3623	3411	6210	2942	2535	4285	4536	4209	4325	3842	4396	5744	4518	3019	6699	4663	4226	6082	4271	7438	7286	5581	5725	4209	4146
niacinamide	17958718	17462244	16377943	16313157	18753234	18775697	21477648	35851876	10150961	17328331	20565041	16148142	16319917	15433915	10524077	17444410	10862018	8528230	42729932	16773719	24624750	20466775	16562670	17409436	17244286	13475905	17958718	17665078	17694924	14542959	15247304	19333393	15759252	12970873	51171959	15627731	22456671	21792758	16528703	11761867	8688066	16177931	15399017	20945967	11360678	10140302	13800190	12141650	17958718	17763236	9109784	10197449	14084880	10110947	19818982	15224571	13645758	16204352	14462504	20396694	18292155	18228169	23783619	23798655	17958718	17968496
N-lauroylglycine	53908	55226	16134	16868	9251	10064	22015	18009	73565	16082	109425	74973	52545	88997	68741	87834	81361	106724	68893	15843	81923	95642	9643	52074	138751	88378	53908	55383	17080	148394	116678	9270	15840	18738	71434	58875	83019	108167	42677	17018	28177	76455	10297	43753	43087	71012	36382	14138	53908	46108	11912	8984	82929	39164	147717	11157	9170	57708	6699	6983	17016	14159	19266	18920	53908	52764
N-methylproline	14514	15093	25490	26386	29273	29554	26085	19381	12994	12872	20225	16660	11078	19879	13231	15141	7737	7262	11312	7766	9427	9722	10600	9529	8244	8796	14514	13806	11740	9808	6789	12629	8605	10331	12253	10782	14969	10526	17934	9645	13014	11690	13035	17054	13771	12652	17577	23066	14514	14837	16162	20253	24347	26884	13361	24371	22966	32676	16494	20277	34610	35942	26369	26990	14514	13829
NMMA	317786	324699	419245	412864	497810	488376	501915	387093	294671	335012	411663	259219	196916	342387	519055	390391	296590	214518	524299	271273	418146	344728	313955	265653	224834	323043	317786	318107	381110	304122	314760	557974	348075	327525	477530	317973	401441	350454	338713	147966	390745	129785	247457	322108	275160	169869	403609	476499	317786	319766	262012	311013	199331	285443	25479	340689	297037	294891	388663	160632	480459	491828	551485	554621	317786	325674
oleoyl glycine	1766	2128	927	888	951	1122	161	nan	3039	748	2193	2555	2936	3078	2150	2517	2082	4077	2105	1275	1936	4075	780	2318	1366	2907	1766	1961	181	2801	4178	158	723	195	2071	2320	1967	2841	2041	nan	798	4116	295	1571	2213	2984	1678	nan	1766	1932	476	1138	3639	1160	3195	nan	1563	2129	nan	1232	904	814	517	1200	1766	2695
ornithine	123622	121475	208170	204417	172316	170175	220760	146167	104189	95499	154016	99151	84612	153316	219339	149420	95174	89929	123332	99674	127462	108450	102653	108082	93248	108453	123622	119228	142333	131157	115005	211417	135285	126857	113473	134781	143237	122024	138377	89604	158600	74904	98289	129404	140402	85409	122765	184639	123622	122447	97484	136823	103000	106959	29337	104772	100616	102945	110190	64468	254898	259703	199350	201951	123622	125048
pantothenate	12737232	12809923	16129547	15760044	18033997	17099420	23806757	18192919	9621549	16522901	18800049	14957079	13330481	21603305	15930660	17413230	4633213	4083151	8464855	8899205	8183020	5743568	8062750	11046834	18701235	6307062	12737232	12864590	17989271	16413548	15600369	21822920	18868011	6971130	9741811	8780075	9086626	7771690	13338869	10872718	13664072	12787112	16206280	32635143	16880711	11699433	18085518	22638227	12737232	12670338	4506846	6603281	4361934	3979976	10485237	9303100	6468516	6388680	7195717	9345409	15965455	15611462	16255862	16324809	12737232	13033577
pantothenol	22166	21939	15101	15302	15472	16159	28699	61872	21236	21579	8565	17801	13491	16303	20775	20320	14892	19861	19698	22900	37975	23497	92802	16906	27103	74349	22166	23136	16939	16978	20496	22770	54188	15687	1916	13139	10649	16111	14582	15354	15687	22084	16400	16881	13133	16034	22117	18339	22166	22497	8528	17033	13788	23529	15948	10825	14701	103202	8260	8600	15458	14972	10458	8962	22166	22590
phenylacetylglycine	217679	244856	558515	584284	397645	446685	368141	345683	256689	541506	502916	336445	361158	420668	135430	178349	165152	129396	325598	231055	218486	205529	454289	91115	228792	216230	217679	219122	353113	171650	246304	188353	366710	287151	443529	213627	391043	193253	183912	64471	148577	70070	164005	145735	236296	46521	232476	223511	217679	218104	141736	268565	178709	119473	24279	241371	183958	202819	199056	213845	291977	287660	260933	260733	217679	228824
phenylalanine	2279779433	2266336542	2949807972	3007705679	2367607799	2324435289	1984810665	1996989291	2119172674	3350232696	2961554049	3096851733	3365968817	2208246364	2091683672	2741348032	2053024872	2251202666	2264778977	2153908173	2487289908	2936293073	5259011877	600899973	1798102129	2018594031	2279779433	2141902547	3034713387	1689323463	3817817628	1453696564	4768012509	2521598659	3570300150	1323795731	2785522892	1395796839	2025945373	880618323	1752975074	963720675	1529659226	1074936086	2636403168	479655343	2678170672	2103126632	2279779433	2286186339	1582513367	2618402272	2118108398	1072731200	131681221	1576651034	2035235020	1797244378	1407990138	2294484317	2451189198	2464995927	2104142971	2157277272	2279779433	2204950669
phosphocholine	1598470503	1582169555	1491273963	1481494918	1094527470	1067461700	1562279745	1745907020	1532908583	1779525668	1771162232	1203222450	1027855077	1345452527	1595335042	1197559234	1383617420	1176462736	2975874124	1457446867	3001917334	1547076208	2062187849	1107262317	1182984827	2018126754	1598470503	1600543927	2059946160	1382985209	1461609993	1778245675	1733712278	1999820739	2670945222	1590062981	2136638211	1639111913	1195259794	605518056	1434334169	541429830	1093945018	1618387874	1404625315	650597727	1706130944	2320629226	1598470503	1569103233	1154288710	1667475893	1271140400	1573748185	238257160	3054610904	1798566821	2558325115	2558752257	1122145909	1557327561	1560854324	1013642344	990085417	1598470503	1614324556
pipecolate	44126	44098	96855	100601	120302	116287	83621	44171	25141	39405	43815	29033	36012	58175	48728	53540	45706	36944	52337	37410	47586	39878	42282	40699	37726	36953	44126	44831	70069	47146	39444	92481	51532	52036	50648	53228	67640	46002	50556	24805	48233	33153	41656	45924	36587	24061	51900	54902	44126	43552	40457	46897	43630	39206	18102	53248	39943	41215	45278	31760	102253	103218	118990	115959	44126	44075
progesterone	565632	606821	965454	919389	2615231	2378393	779397	758618	170766	395735	346512	188854	459515	413665	798147	403127	475874	484378	1500195	579960	471896	391441	620509	360076	384211	536381	565632	496592	428611	210457	230865	689551	356835	657016	1399226	851884	800469	507420	772428	219474	474449	123795	442528	335147	527963	222565	649152	1188516	565632	514187	762245	1200136	418082	1082785	40485	1162827	680977	948181	1354449	339434	891408	780522	1931245	1901376	565632	629309
pro-gly	36557	34369	38552	40198	59563	58534	94871	72776	8666	76914	69214	16325	12064	43753	70656	24496	27526	17382	151864	26875	112803	49787	66660	14218	14186	59272	36557	35045	86594	20663	45036	131868	48815	53866	100158	44214	86406	52304	35663	6868	34013	5534	14349	44483	24188	7594	44941	94974	36557	35912	33024	59002	19084	29904	1277	107638	32941	76275	91021	11567	51461	52668	63659	67921	36557	37346
proline	1959891	1954033	2685666	2697660	4649161	4475156	3278696	2213835	1297093	1875418	2276353	1720904	1199152	1689631	2337476	1615069	1840986	1186426	2385121	1717182	2673342	2169573	2312887	1945012	2192995	1841111	1959891	1955450	2486920	2045849	1443546	3128633	1579452	1900753	2756262	2528476	3040418	1970835	2175406	1140922	2193981	1092385	1725523	2178840	1760215	1111073	2203325	2649402	1959891	1890135	1766392	2457860	1563059	1616470	818440	2552751	1848987	2070480	2205531	1412477	3121586	3194954	4645040	4577781	1959891	1966327
proline-betaine	581322	585299	979923	987934	869942	860515	881605	594231	496073	545703	679372	468938	418299	490127	560480	493809	432856	404577	696161	450206	736544	665863	889132	675215	638938	650739	581322	567977	708058	670499	326584	672091	557622	674828	707329	724569	636945	740761	475846	305876	557882	357675	488212	701350	577553	413405	630238	729156	581322	586485	402378	856020	506646	583916	588196	566178	605730	598721	727193	413408	1198565	1206460	850218	854026	581322	584551
pseudouridine	13177	13979	24099	23756	25779	25273	22383	15721	7928	13929	15581	10409	10005	15196	13208	9936	11627	8995	28392	14240	22162	16158	14815	12740	17029	13947	13177	14570	17489	11513	12167	21991	11991	13821	24936	14386	19684	15752	11280	3731	11602	4933	7679	13776	9140	5265	12191	15829	13177	12562	11464	14575	8970	12333	4962	21137	11260	16962	16865	9999	22857	22900	26174	26715	13177	12954
putrescine	63848	62126	78231	75797	46395	45459	69859	53178	47632	42434	49999	34476	67004	66633	66174	80472	76557	89135	89698	88199	46444	51786	58981	56363	71757	84498	63848	63987	60594	45612	75651	55343	68371	59059	66183	48436	50313	72496	43664	39518	73962	32721	68504	99417	35603	39977	59564	52761	63848	63878	35204	62804	56687	66266	28398	106738	73344	113384	68349	49232	103763	102036	49041	48659	63848	64444
S-adenosylhomocysteine	71694	68799	99763	97661	98499	94250	102305	78964	22167	89212	80591	77780	67812	66171	52599	64638	78729	66302	122770	93150	91780	79910	131860	54325	79857	79143	71694	71112	90452	63825	79869	64759	89861	68648	141995	56567	110041	68593	62950	29014	59848	30316	40473	47296	54947	21767	61475	61974	71694	70696	60299	80932	64709	49735	14714	81888	66864	69201	62033	74120	105687	107726	125593	121569	71694	75028
S-adenosylmethionine	305062	288995	304612	285601	332992	338937	464278	373093	294590	313382	344746	222833	177742	295714	408384	307638	276649	239372	401140	279825	387843	304010	286095	303790	291487	325177	305062	293141	336315	257853	257836	435195	253551	313674	312751	299860	360971	300463	286676	165088	310761	171175	232080	355559	272275	174510	289268	429895	305062	292098	298415	335267	242514	289126	115834	396941	294840	373689	427418	233214	350675	349761	401784	401638	305062	305830
salsolinol	207152	218751	229323	222460	163542	160908	154951	173149	145022	279999	258292	190768	248069	173575	165591	189588	192238	209256	318151	208317	308542	272218	572115	55870	139325	270421	207152	206132	289774	142955	311931	153526	367099	283774	417275	154251	310760	155357	147275	50422	143654	57163	107333	89980	205557	34705	196923	186450	207152	202631	139356	253198	208453	119425	1584	191088	197910	223662	166659	220090	190774	191112	169952	164997	207152	210826
SDMA	23997717	23023316	39682402	38511884	43565118	42190384	36560524	24472571	17595382	21405705	24760516	14047267	15856428	27388409	35257356	25677514	24446352	18523590	41123288	21941939	34790472	22839400	23123686	15549445	18338102	23284454	23997717	25540136	31511763	20176942	27687569	38055796	22936926	28388939	39017933	25529236	33274768	24815378	25572657	10963796	26664587	9562349	16397795	26620091	19937979	12927874	29744858	35884402	23997717	24360761	23308899	28989656	18404396	21548829	2332202	32711205	24713054	29475223	31764908	13591970	39755930	42175265	51949272	53703775	23997717	24112300
serine	23455	24670	23743	22388	31317	29809	27197	27105	20633	21110	27096	19508	17067	21264	24400	18899	19942	18149	19394	22593	25304	20844	23784	29066	26665	21793	23455	22852	21628	22936	19553	26107	20909	23348	21008	30588	26439	22891	23485	21113	24315	23733	25024	29311	27573	22219	23165	25649	23455	23588	20442	27819	21378	21261	31676	24181	20659	21845	21283	20487	24547	26648	27749	28689	23455	23227
serotonin	448713	452470	757359	702935	695842	628999	551513	372783	241582	415747	459710	234293	244435	352705	489609	486108	427503	313776	381889	485324	415026	532435	573282	417000	669920	296966	448713	465232	625358	270373	420555	420849	562084	443128	612136	552053	773368	503287	388747	198905	369582	268888	473221	592319	536318	176225	636521	570011	448713	457614	263113	723266	513435	304751	35323	463225	436244	398522	508925	562292	720034	698563	719515	721259	448713	485593
S-methyl-L-cysteine-S-oxide	72764	72773	75417	73740	78139	76795	122227	116236	121794	68453	80509	70315	66798	89329	95863	88959	76327	69445	76192	79539	71645	61519	34004	99063	83910	74075	72764	77223	64387	74709	55444	84695	41532	60032	55501	74363	64989	77660	67062	77025	81659	86049	71091	89320	62644	71522	58720	79957	72764	67934	72627	57151	62667	83553	99595	79318	79428	64832	80290	58346	80758	78747	82721	78967	72764	74538
taurine	18227110	18036964	18187334	18347219	19235890	18958451	21467664	22436550	17362237	21619818	21769309	18290309	15570158	19890027	18173182	18222643	14352172	12472048	22136603	18699811	17580102	16580151	18050512	21202320	22981977	17878470	18227110	18254229	21358674	18408974	17445162	21580956	17924591	18238546	21200485	19189096	19091030	17360223	15422695	13837116	16379204	16063603	17754573	24478668	18266457	14932207	19300647	20583427	18227110	18256665	14086675	17280781	14694124	15325630	19316554	19954423	16067057	17030822	19632047	18175762	18499565	18502938	18295676	17887367	18227110	18319900
thiamine	169243	165330	555691	534828	289803	283831	252782	166676	88147	109633	147400	126913	141929	149439	152994	172352	110015	87237	251282	165438	117516	146173	172343	188784	210848	164037	169243	164731	161116	161185	129975	184369	179862	177576	379378	179991	232835	188884	130362	96014	137564	104703	164354	674127	187157	105273	172310	186363	169243	164099	80614	166891	131744	142065	164952	123500	158246	130580	129345	165848	589083	587475	300370	310564	169243	174855
threonine	92327	94822	97776	100984	136897	133721	116372	119652	81138	102707	119306	93014	82767	98009	113987	73090	101828	72958	91475	102668	100524	95054	94758	107950	106824	87452	92327	92003	92987	88597	76392	106017	83953	94508	90201	103568	96781	81459	104745	84818	103682	91312	106418	113880	101068	89858	84000	98118	92327	93090	72929	91684	78543	85176	97885	91615	86338	91713	90849	93653	102825	102384	110804	109212	92327	92509
trigonelline	282853	275799	557513	541527	444216	436329	386726	261291	274407	273964	337849	286823	210322	272196	324193	333386	295042	294546	372838	213808	390203	420036	478886	325085	253141	384240	282853	285225	192225	257529	182358	448544	316867	313624	391413	370882	387440	386263	267343	121268	308531	171084	227111	206906	261456	128766	297396	324778	282853	281398	243604	390828	231900	268196	104694	258363	280199	238955	296886	159186	541590	538505	454016	469928	282853	287098
trimethylamine-N-oxide	41023	40821	77155	79192	30765	30986	43637	56670	41688	52197	55446	48348	29050	45583	51388	48393	58172	53391	54555	30755	68190	70191	76370	53266	67468	61358	41023	40574	61906	53999	27015	55390	44432	51018	69425	56518	58341	57559	32421	19621	41165	26519	28513	43505	33651	14547	29097	30156	41023	40125	23518	11242	9534	36227	8868	11880	12296	23297	12089	30373	78947	80917	30166	30722	41023	40733
tryptophan	18785617	18460431	19351717	19023707	30416108	30611126	22911646	20519550	18040969	14627875	17841070	14990003	13963509	17598223	20074098	13368101	19789075	15436624	26936132	20235930	22952109	20214896	17693891	22036584	25787484	20097161	18785617	18385445	18036196	16018681	13188658	22528283	12320900	19301204	24195889	23137361	24716951	21385436	18473067	13911391	15718953	14040084	16035731	20444057	17090026	13839506	15446566	20796938	18785617	18238335	18219966	22216600	20254119	21074500	18615129	26695533	17925298	22680886	26743215	18169810	20070915	21406239	33151854	32469764	18785617	19518144
tyramine	8583	8618	9748	9298	16301	14564	5762	5364	3926	9621	9350	7933	6290	6149	8540	11293	9333	8073	10523	8182	10371	8709	16170	3918	8876	9111	8583	8666	12728	7724	14746	7130	17125	11429	14121	6653	11320	6559	10120	4700	7050	4726	6105	6140	9437	3901	9710	9546	8583	8646	5871	8124	7485	5865	2512	9833	6010	7726	7133	7710	12010	11698	17167	18093	8583	8912
tyrosine	34404923	32715973	29568921	29103785	54971237	50964267	41246730	39747776	26897921	29481138	40242833	25455665	23670762	30116727	40475213	31409814	30868639	21784617	52312000	29823643	44367492	40066327	36897474	26080380	42899739	40195967	34404923	35087448	43539235	31845276	28210357	43008152	30237403	33398989	48756004	38189789	44447782	33261882	41449293	19408295	30331502	19188294	27406761	38971792	31201523	21311074	36873792	42548421	34404923	34942301	28068558	35492048	32824757	29420538	13746940	41575913	32167269	35014638	37755825	29630243	36822494	39469707	66193308	66682569	34404923	36628499
urate	204109	198523	270783	259250	334142	332312	985409	379645	149077	268568	269545	273396	279745	342264	220325	176846	140327	83130	455274	217287	130063	247819	146786	166127	191238	188331	204109	211975	266364	202559	203159	310737	154195	89483	362151	177740	218154	249442	219008	76577	216171	39991	96002	179047	186981	60792	219713	294001	204109	207984	196811	222680	116101	159547	20265	311926	172015	164670	196261	105733	274290	279605	421313	413741	204109	197470
urocanate	131104	123428	68869	67758	59442	59368	114980	243646	399670	102745	217925	100071	123860	81615	50807	313826	51651	56534	256304	94124	149210	241585	60902	139509	220107	202812	131104	130627	52674	281373	134550	63335	138946	47519	198327	56937	68177	121215	73182	37696	68655	97515	69273	233343	88290	78930	67197	65677	131104	127492	29938	60487	137396	229145	98549	296672	101902	57843	102155	51129	68332	70751	70770	73263	131104	129347
valine	142758457	144440278	174392665	174822443	226001828	222250749	203636282	177411527	109259659	149604890	179293411	123121389	100476545	155622526	164551379	119978578	136453392	103065255	229159327	143060980	195704811	160630344	152933212	122728345	160654837	152511872	142758457	141073320	169626619	117952650	115554339	214953306	135168596	157373563	205323757	148339980	190277703	148226054	146270979	80468875	134866734	90105041	107364664	160553395	117402404	84446479	147393969	162502709	142758457	143081986	128036058	155361416	139734423	131415481	59101560	201023492	131050340	148707371	159944621	115209452	183154837	187611649	245592477	235320075	142758457	143910698
warfarin	1443570	1518454	386	621	257	881	304	77925	4353200	3696	3283487	9689457	1543540	4151168	86089	3083412	3773550	577423	3834	7709	3738512	2230226	746	1088815	1922575	2951515	1443570	1396986	3668	5394000	2346239	1030	3371	15660	2260187	1120810	635981	1647943	1317737	2195	14439	6712171	8461	746269	1786187	2546337	nan	403	1443570	1390885	nan	253	8591233	4417	2637852	1781	715	3322	nan	814	nan	nan	312	nan	1443570	1430305
xanthine	1291741	1262586	2101525	2079433	1401860	1411529	3872470	2375033	757235	1120162	1510755	1136981	1683631	1856918	951500	1203193	1475352	782436	3394424	1587016	1433061	1090097	793455	1709368	1343628	1142186	1291741	1269098	1534786	1190044	870217	1650278	875858	594458	3553187	935775	1506935	1548956	1182383	715629	1442463	440692	800842	640380	725192	416951	1267414	1245679	1291741	1329414	1141217	1394372	691086	865265	196625	2689820	1475398	1194505	910936	884251	2320044	2354652	2374695	2380322	1291741	1298634
xanthosine	494169	486099	1173493	1160548	912214	893844	3803189	784862	366591	535643	628502	638546	1124677	1087302	470795	413772	338259	160450	744215	597410	254769	377056	202446	487923	418661	301694	494169	496224	504776	497801	427027	587448	315661	128044	589633	218854	299763	425704	465042	294954	544073	114436	202555	174429	318789	143567	463112	584335	494169	500510	354207	319107	161892	238222	36181	819408	380541	272058	241591	250516	1159216	1156618	1094843	1075838	494169	495389
C14:0 LPC	300872	298882	436265	420736	363995	359254	273362	295229	176401	514760	547579	457269	237336	278244	302693	284955	248990	221620	381080	340641	348362	482988	942253	180768	310270	358759	300872	315015	405454	271701	333989	256730	563835	453386	533268	255076	491433	268689	265451	63942	212141	111494	199992	194713	294441	74353	336164	283719	300872	312021	177617	289680	203004	135419	33440	300481	216820	188724	260401	249874	388408	391822	308595	304666	300872	304425
C16:1 LPC	409675	388256	620491	633094	560579	557874	430473	387620	285607	665811	716091	541422	351694	390471	384159	332830	342996	310246	549296	482942	417188	606019	978747	304813	475543	460268	409675	426289	570940	364801	449252	422193	687304	549192	715710	375235	613590	363179	344367	123067	305689	160970	316921	259931	380925	121852	449205	403472	409675	411485	268561	522263	303130	199037	78511	419544	308855	302256	316769	337883	518839	522008	424170	415015	409675	407265
C16:0 LPC	39340192	38432675	49848366	50739683	49489500	49281676	45696427	40002917	21556815	56207686	58006642	42393916	40815672	40811193	42354393	41015251	33429969	31987779	48251943	40269188	42061180	47923015	77754273	26747259	43405731	35924393	39340192	39871631	57204987	32309664	52169675	42027316	67316188	45929976	59080988	35936756	55627056	31949807	37539086	18585000	32691252	20987291	33320694	33799371	45871674	16237070	44207875	44413993	39340192	39952818	28341969	48057930	29955752	20482467	11176051	37337023	31893173	34810343	32756918	39133886	46654404	46940818	42895608	42102155	39340192	40983024
C18:3 LPC	597405	544660	633476	635075	587796	590396	547625	491294	306068	606834	634420	538135	534095	487729	614347	571163	571257	558518	615923	652842	579482	704035	957351	486172	687587	519652	597405	596820	709254	493727	685056	551133	804756	650270	744471	600579	742891	503873	576353	350311	506599	475796	593960	507323	724804	328680	636378	616644	597405	614065	471087	699528	506154	332268	255799	549393	482757	518363	510861	683112	650830	676788	603041	600235	597405	618509
C18:2 LPC A	1700769	1711882	2105392	2120095	2389008	2407325	2014910	1672269	1018697	1952805	2718561	1779882	1210965	1213861	1819122	1305318	1425015	1230698	1922674	1710630	1443731	2226827	2811510	2698574	2418106	2034333	1700769	1700598	2154233	1719001	1354646	1987131	1883567	2178166	1782349	2231702	2355503	1894742	1449120	950880	1624181	1026165	1672963	1648672	2081386	1081728	1888367	1995131	1700769	1723377	1108807	2113472	1081659	1173621	1086890	1776018	1530380	1300438	1705480	1587094	1805251	1828921	1611815	1648420	1700769	1753076
C18:2 LPC B	756527	719623	732025	781920	1103926	1027640	1191226	1058125	342100	906101	891575	737805	465408	476787	949403	559450	764368	599846	1348205	981268	717995	1159892	1189000	1545545	1502402	1052154	756527	757671	859344	689017	500265	965680	597452	794989	875379	1042719	1074602	987929	652888	465348	760613	414932	750239	755778	784222	462656	686271	639195	756527	758350	646492	927078	430167	543040	584842	788214	654531	747146	930750	844311	844964	890944	943773	932217	756527	765546
C18:1 LPC	4963469	4941125	7948365	7746297	7890658	7763533	5388310	5608133	2736622	9577499	8584949	6885297	5754123	5083236	5301050	5035212	4186627	4288239	5999058	5291195	5256292	6611954	12650575	2169001	5183568	5057128	4963469	4874877	7248046	3815447	6767445	4258127	9969955	6312272	8062014	3897849	7044130	3693371	4774998	1986776	3977964	2062106	4131522	3173950	5781805	1483854	5715644	5258037	4963469	5069283	3486071	6338868	3811113	2470229	648414	4521852	3845011	4076838	3643423	5088073	6535038	6814606	6018249	6183293	4963469	4981598
C18:0 LPC	13041456	12875063	12434889	12649281	14987543	14478432	14759577	16018659	5694436	16934674	15959209	11872647	10822052	11067796	16682065	10528146	12553900	11397527	18448982	15139438	17032848	15542101	21984167	12634452	17561901	13294149	13041456	12744438	17454176	9836120	13515659	13340964	17025407	15531152	17055758	14922161	17174030	12601888	12709546	8641724	11686894	7981561	13754875	12972177	13865512	7975432	12708028	14402907	13041456	13217199	13073793	18187297	10484043	11054070	9173215	16990571	11778407	15380787	15660406	16492839	13099472	13842310	13705983	13715329	13041456	13047192
C20:5 LPC	3559	2812	4052	3091	4924	5151	3964	3420	778	4049	4620	3600	784	693	3784	2127	3495	1811	5153	3941	1402	4979	5986	5693	6009	3431	3559	2224	3533	3020	614	2415	549	3588	1547	4798	3580	4634	1718	nan	4669	1925	6145	793	5892	2825	3637	2716	3559	4951	3118	3691	785	2232	3132	4564	3543	3173	8213	6731	8764	8464	7725	6958	3559	6792
C20:4 LPC	7291152	7101034	10250903	9988821	16227341	16500729	19155760	15809561	2479897	9214536	7959987	4958000	6453474	7198717	9971086	6364915	6200991	4686030	26950825	6709969	10103960	7864094	9566686	6383274	6477581	7638397	7291152	7109770	9792345	4017552	5817988	12399136	7376754	7131522	17978356	8250629	11480320	9931182	7014088	2662128	6693362	1978801	5428698	7547462	5809320	2784621	6898048	8088007	7291152	7107778	6050392	9010495	4084863	5860402	733324	10180501	6130682	9603434	10165770	5332417	12502360	12167384	16743757	16922081	7291152	7341955
C20:3 LPC	50075	45364	65415	64054	78297	65593	50948	45319	15283	71222	75000	52557	30136	32519	63182	35698	46228	44722	66257	58755	54112	70465	92550	58239	74916	56404	50075	48623	59327	39563	50039	44806	74653	61248	68968	66518	67837	50903	58894	17082	54523	38112	67720	48763	61921	38474	58214	67460	50075	53961	33669	66304	36566	45272	50838	62570	42927	46216	42209	68463	56662	65059	68448	68634	50075	54568
C20:1 LPC	1256319	1316273	2563406	2521608	2626693	2663662	1767032	1886530	705550	2938640	2503437	1637403	1627122	1416715	1823735	1261208	1140550	1111351	2204101	1571314	1543908	1727389	4058762	389588	1421277	1241004	1256319	1257086	2334059	769080	1696098	1097917	3077868	1760673	2285531	937779	1811808	861964	1342376	425892	985751	405469	1244398	744739	1442701	225588	1483062	1331311	1256319	1219577	960465	2204384	939791	632412	26114	1372106	969828	1337851	1155537	1457526	2548028	2364040	2079019	2134000	1256319	1304644
C22:6 LPC	644885	620808	552226	536176	714999	700848	1010089	435015	136927	573400	547542	282890	346492	521896	656966	375103	855014	568913	1519900	877551	803218	764289	849513	973482	919021	931488	644885	599957	664803	395863	448020	863021	419978	720031	960829	850162	1149481	877218	461310	198479	522868	180252	443212	538096	479269	322607	554469	549472	644885	644804	572174	1018459	460960	654740	148033	1021773	788360	863114	1019940	609731	531224	568953	656732	631167	644885	652424
C22:5 LPC	167160	159818	201565	197175	251694	247365	333843	152440	31647	197284	187066	112271	96755	147805	166248	118491	183105	116401	422591	229285	196567	222445	243275	232592	232856	243310	167160	158456	179473	114967	100386	226294	121163	170523	257702	208962	258598	221455	132025	34741	138956	53265	114057	165300	116806	86979	155999	143492	167160	173554	134634	219633	114590	151517	44458	242854	184362	169768	205364	114523	186529	199277	237056	219159	167160	159365
C22:4 LPC	197808	196495	306151	316986	462288	435759	458742	327782	40967	210749	212152	150550	143994	194149	169104	200663	203916	143442	632105	163191	335108	260577	317981	174609	171715	263171	197808	185759	222033	108125	124731	296785	177934	210716	598490	220290	366453	290267	162039	89248	170913	57673	113526	198983	119230	56662	171811	158585	197808	183425	159318	197064	126113	162241	16855	327159	188297	247965	214390	119281	302556	317256	478722	440055	197808	194905
C24:0 LPC	61787	73890	42107	47757	63056	60143	73449	79031	13960	107293	120194	65385	35081	54694	68986	34225	58639	46113	113002	63271	116679	101818	117631	56849	69697	97728	61787	54429	70345	41032	60203	65717	49295	66027	84899	85838	105802	88970	63434	3698	42201	16132	43097	62369	57969	25374	66876	88594	61787	71962	60320	82812	53132	77332	19152	103215	83812	94381	69931	75720	57546	58842	37033	43958	61787	60387
C16:1 LPC plasmalogen	70883	75044	109318	106465	127103	128653	99303	119857	33533	149017	125644	95599	88266	74088	116083	70572	73859	67353	156462	99485	94693	106414	181671	47264	100044	69807	70883	75975	127925	46610	82121	70454	136646	84484	146286	62599	102372	65067	69984	35243	54386	31799	75903	47553	69632	22698	65069	65682	70883	66672	59240	127506	51823	39054	17243	76913	61590	76312	74018	116160	128993	126592	128833	132639	70883	76947
C18:1 LPC plasmalogen A	180725	183657	247646	256388	231529	230772	165552	192483	111918	305714	303013	228542	157530	160864	139972	131198	174791	150028	242782	182414	234831	221019	437769	83073	184171	210986	180725	181407	227615	114544	213791	162032	270910	257014	361393	152623	288963	156123	133359	51628	130291	67679	119774	114540	176607	42034	171794	161058	180725	180748	134226	241084	172156	99749	20704	233964	157469	186094	175475	209561	226031	230251	214700	211974	180725	187043
C18:1 LPC plasmalogen B	73049	71808	104176	95456	120625	107089	99109	76939	17494	113989	121840	106037	50406	62858	55234	61348	65701	52901	123541	73791	98404	94860	166620	45546	74650	86884	73049	65689	88343	48822	63559	70259	79267	88719	171364	64234	126063	73004	51604	16069	46441	29491	38484	62938	64661	21374	68096	71867	73049	72841	44300	90498	58227	39352	16682	91051	73353	72914	56221	73785	96971	107591	123059	112356	73049	71149
C16:0 LPE	1542035	1538185	2706951	2603438	2618353	2512561	1839833	1507665	1201052	2390374	2472809	1792177	1967370	1888318	1597653	1855446	1250391	1297673	1662316	1656371	1601224	1943991	3374484	1203244	2025579	1291338	1542035	1519439	2162916	1332037	2163967	1519735	3190101	1725551	2711433	1196258	2235853	1242735	1343766	642340	1207817	793683	1283247	1372669	1782267	639954	1794582	1759308	1542035	1500187	963266	1807385	1157854	788814	606516	1320674	1310778	1295495	1154216	1562319	2300031	2269736	2158252	2191788	1542035	1619686
C18:3 LPE	112659	108242	162951	161069	160259	152552	123828	101896	94150	148171	163724	128423	145704	129703	113399	131259	94273	108352	103246	117873	103640	134316	188262	108543	149082	91578	112659	108485	136442	102765	145367	95512	185362	121194	164597	88427	149209	93515	112646	67551	101760	85434	118868	107450	130726	70347	136424	122707	112659	112282	81138	126647	99571	66133	79046	102774	95619	94691	82496	131012	171324	164184	154392	152113	112659	124424
C18:2 LPE	165195	166268	260104	249114	400501	387146	140279	195978	61628	131946	256445	134844	113621	114480	124648	113962	99924	88313	169860	214510	130358	159719	180810	489432	580845	121746	165195	167046	151586	193735	110067	192645	145489	173064	281110	256893	206152	161734	137059	148963	114260	160799	223453	314060	169194	166020	153168	134854	165195	159241	73945	143668	101128	80422	298754	146875	103794	118668	130138	223807	248624	243387	358383	352247	165195	172834
C18:1 LPE	1779068	1838997	3991725	3857097	4182220	4070097	2099646	2100497	1523440	3128498	3284981	2406220	2160324	2092595	1737832	1945453	1196650	1199297	1803341	1730310	1623625	2173454	3938488	1617850	2511822	1486014	1779068	1722019	2488687	1688373	2375334	1789355	3470882	2029327	2960307	1421958	2355017	1272688	1706983	854223	1360270	965525	1469318	1585941	2061385	796187	2149857	2016662	1779068	1771775	951977	1890906	1240967	816807	998031	1405198	1299482	1272102	1211634	1821400	3341368	3271800	3522804	3425865	1779068	1862235
C18:0 LPE A	8094195	8222226	12063509	11951079	11282551	11040933	9163496	7921707	6048782	11923531	11833200	9287834	11120509	9297363	7989625	9702261	7265829	7501860	9590812	8547650	8899445	10289292	17623400	4155079	8878256	7388805	8094195	8089679	10661070	6433602	12256703	6847103	16193323	9097420	13828319	5457949	10956970	6340927	7062018	3289773	6656810	3726486	6177683	5923683	8802951	2790560	8941799	8713064	8094195	8089312	5622760	9471565	6666652	4741678	1905452	7110616	7323835	7173531	6452716	8621159	10274029	10280430	10354048	10138592	8094195	8497890
C18:0 LPE B	251579	243087	408724	420027	412187	408231	343388	301242	152837	376853	430248	295267	219123	278108	263547	217371	220009	166412	290002	233817	270848	315631	540418	161505	242457	267140	251579	266808	399301	244788	312983	279822	385222	324591	385664	248822	371197	208738	243301	102564	203280	118496	192547	210253	302357	79092	314663	284239	251579	243799	160854	300751	191212	146927	45500	242052	204388	209228	222932	195090	377460	378849	329755	327794	251579	253549
C20:4 LPE	1128305	1093161	1600805	1570251	2327408	2225779	1322738	1454201	708836	1209964	1140960	807918	1022714	925573	1404335	1001290	895632	819480	2170122	1111698	1725048	1240305	1292029	1387092	1803066	1104097	1128305	1160268	1271433	1140814	1169780	1390466	948236	1150665	3405271	1199290	1632335	1307421	971909	581818	970241	592158	984833	1205270	951745	792269	1111681	1337181	1128305	1068388	950522	1164975	887985	1044297	677984	1242483	1093134	1131062	1238087	1052500	1483014	1391092	2405401	2222864	1128305	1064816
C20:1 LPE	14108	11751	26296	26447	23920	24491	12822	14096	5434	20844	23889	19955	15872	14571	16793	22999	16729	14992	24821	20025	16129	34608	51825	11335	21297	25743	14108	20499	32476	19940	33036	20364	42578	21384	29620	17500	29647	16855	12987	1293	10661	7487	9747	8306	17530	3286	17307	15162	14108	13362	5802	17665	11515	2877	nan	9074	7891	9304	3898	14294	24574	23101	19169	23090	14108	15422
C20:0 LPE	526343	530359	747611	741949	880281	854761	675492	687907	275929	828311	833287	603497	501986	536230	631404	491962	443525	365855	643147	494658	588272	609089	984315	362813	525153	505466	526343	520416	859911	495387	708320	583009	824310	576881	692869	509024	707440	434969	553556	288675	452014	293947	466204	505285	643322	243607	622414	633188	526343	523581	368282	572605	382690	354132	180452	526052	407535	491504	503336	522205	747727	759368	786800	802671	526343	543411
C22:6 LPE	40289	31042	39357	44751	140017	121231	8705	31222	2125	2369	24454	3251	7298	2591	10063	15410	37222	25012	43155	56476	36790	22277	29521	115575	137483	21555	40289	36218	12598	38353	5813	25376	7875	35283	132935	77519	64461	36170	70240	73509	54721	99387	166362	190928	42311	128098	24790	26506	40289	55198	22624	56456	13917	45213	180801	63358	42970	23840	34767	70381	44737	40104	143943	117776	40289	30948
C30:0 PC	1495324	1573120	1834750	1805594	1970815	2053043	1373529	1319366	2803464	1727848	2541771	1744281	1047635	1386466	1366360	1249704	1214364	1000574	1974461	1719254	1710870	2036664	2882711	1954559	2178441	1660557	1495324	1528096	1594950	1391644	1175179	1566642	1609961	1810136	2119653	1722285	2182114	1440413	1138099	671498	1216302	1626007	2034987	1817426	1230262	818221	1311284	1353531	1495324	1480730	1105481	1491597	1018515	928105	1786424	1763798	1236891	1178341	1398590	1566853	1940102	1874805	1726738	1656876	1495324	1615121
C32:2 PC	482773	499816	447200	460873	764967	798864	345898	571007	505310	402461	1077090	627301	228523	276224	336216	233277	242218	195676	453087	590633	278042	441519	543905	1010529	888890	384754	482773	491240	401257	675634	230687	454121	337652	444383	501512	740625	464769	400798	403776	534889	285242	850595	635656	830889	489001	529397	374862	313599	482773	485030	239153	364320	376976	224626	1364072	381640	268127	209577	330642	647582	464888	451064	537465	585514	482773	490288
C34:3 PC	2397357	2423350	2674175	2634797	3162886	3297319	2288722	2050943	2338430	1991316	2719714	2345764	1899210	2073714	2292209	2144471	2106423	2039190	2218142	3005234	1993741	2415610	2265154	3513545	3054723	1999263	2397357	2417501	2208568	2747354	1919371	2356447	1996095	2352647	2367411	2962744	2520411	2418394	2381241	2173460	2221173	2709440	2480299	2719043	2311384	2569703	2231708	1988529	2397357	2434628	1940654	2401029	2328882	1940438	4203373	2327906	2082190	1962840	2068658	2694697	2659802	2699030	3058019	3009570	2397357	2411366
C36:2 PC	103719017	104232733	86697518	86767170	93255713	94719805	89656456	104042076	83224111	89684983	97421389	102691960	83699314	87243004	82572843	95462136	92482118	90906171	86149546	116766188	89114263	92423744	98215940	156735031	171046267	91989255	103719017	109913280	90762341	124238611	94445599	97104165	89430745	98551926	93500275	124395426	96610813	105771731	101386190	121665645	90010683	145550071	131873508	141580875	121824046	123934000	98191338	83274277	103719017	103061868	86297423	97773906	92819479	87745710	186016329	95251185	90818198	91964340	86332990	135648150	85308767	90827467	83310467	83704796	103719017	104583380
C34:3 PC plasmalogen	168070	133437	242507	214429	289987	267223	156165	182065	114907	122569	252396	199390	115610	118285	170973	192694	177171	197206	117957	204974	130907	185164	115655	229027	184713	108478	168070	155404	149501	315886	128006	199062	92170	173434	156754	191541	155671	133598	142398	254376	121447	243060	195997	220169	191182	215620	166714	113210	168070	146901	117349	158109	137234	122381	243571	98175	133372	147617	160672	224936	290183	296751	263250	246382	168070	200945
C36:5 PC plasmalogen	12514149	12788813	18420338	18943793	20450434	20519162	15255108	11784277	9489580	10505551	11696973	9285216	10622023	13227467	14271238	12183451	13963527	13053174	16495286	14324357	14251517	13758216	13712616	12721654	12742175	13385812	12514149	12261119	12704935	10704326	9948947	14546730	10668943	15097495	15738048	13517847	16176486	14297392	10874125	8253546	11602569	8455589	9734885	11432621	11070423	8735804	12322100	12482756	12514149	12366656	12606320	15372129	12837803	13323568	4782063	14976605	13657002	15147866	16227701	10914675	18407401	18600119	20660199	20768495	12514149	12803685
C36:3 PE plasmalogen	318922	325812	392281	404588	355410	371100	309146	284814	300198	329239	414741	369373	328152	324634	355500	361813	319192	313374	164943	298688	242902	448046	419685	260513	261067	273213	318922	290621	301638	269415	397680	229607	345902	265021	281512	286726	325664	234877	293741	264241	330845	516817	608583	246490	388881	224412	370833	289352	318922	300100	288389	339463	244066	189912	302862	209083	338854	206887	226444	298465	372745	349364	320734	307157	318922	316209
C38:7 PC plasmalogen	851804	905365	1297779	1203443	1457944	1495726	972891	856300	564552	658870	959393	644178	574329	781539	807141	711416	923122	793526	1146731	961772	987487	910506	1001830	959176	978479	902991	851804	835405	832802	839552	604435	1004564	634885	1073282	1165751	1000892	1133407	982880	660395	610291	687504	676380	728792	968386	752668	618520	765069	836178	851804	857565	776784	1039334	787974	902715	601228	971904	918542	1086023	1116645	833733	1220070	1179129	1316578	1336985	851804	870828
C38:6 PC plasmalogen	4644592	4912229	7965689	7739124	8596463	8944001	5860971	4377414	3485220	4098323	4786128	3655508	3837001	4812137	4941061	4383326	5166311	4278127	6084154	5359584	5367663	4708908	5325765	4456273	4920598	5191610	4644592	4609649	4676223	3783097	3488045	5163894	3703161	5430756	6059473	4838284	5601216	4968432	3842084	2725638	4057007	2840981	3621478	4362449	4277382	2802928	4411473	5133469	4644592	4523659	4121714	5380945	4462987	5013628	1520537	5234824	4886702	5895516	6005436	3951566	7689684	7488538	8462586	8212272	4644592	4648872
C34:2 PE	3313233	3454662	1922473	1883464	2900255	2749664	1848438	2732107	1597377	1541849	3376434	2289103	1606209	1691922	1810402	2035436	1635598	1664849	1593295	4744154	1632322	2026675	1777920	8719662	8802986	1520878	3313233	3220095	1728823	4172621	1457018	2550194	1730869	2764692	2330399	5327162	2642388	2855211	2751602	4529182	2005027	6523185	4884119	6482675	3749237	5153741	2479779	1825253	3313233	3339110	1862228	2774505	2447229	1773200	10646231	2907921	2173210	1898211	2208422	5652771	2124688	2051530	2021394	1980386	3313233	3487529
C34:0 PE	1292299	1387632	2102043	2108199	2118577	2164780	1600525	1431838	1880096	1600189	2025653	1580805	1243321	1584947	1344655	1236049	1226759	868558	1436673	1085347	1325307	1537707	1960051	1088772	1015312	1404007	1292299	1277419	1621524	1385042	1395425	1419044	1455034	1439362	1508599	1196170	1648842	1184191	1240473	806542	1347518	1057109	1180911	1462785	1340323	704099	1418847	1431373	1292299	1289922	973011	1359027	1065117	1117312	848484	1278573	1305469	1243298	1184237	1046588	2038267	2012985	1926418	1943896	1292299	1371097
C36:4 PE	6282760	5967374	6115712	6333961	6909952	6881001	6082123	6277208	4617009	5134843	6184895	4989811	4835703	5739794	6245085	6035506	4916862	4445606	5352028	7883617	4744050	5188554	4833338	12616789	13369109	4476883	6282760	6515780	5383784	7144819	4748880	6505520	5178742	5624540	5757940	8681731	6345641	5949285	5980953	6287819	5031847	9702200	7867741	9811837	7093008	8046721	5986749	5344096	6282760	6321019	4442302	5521282	4543713	4292435	15715169	5657089	4756340	4716730	4980993	8569045	7394017	7205369	6732272	6420747	6282760	6421100
C36:2 PE	6674973	6725110	5344619	5414294	6206837	6150966	5236070	6689805	4298581	5085108	6987820	5785607	5353339	5527516	5028571	5665559	4697927	4585671	4683758	7734233	4770543	5187660	5588244	10995680	11704734	4597128	6674973	6467435	5019370	7571723	5596709	5769094	5620978	5626909	5507657	8294359	5868025	5988335	6255079	9754529	5294921	10539494	8657359	10523191	8330123	8950179	6253557	5121665	6674973	6699682	4893176	5869983	5270651	4615946	15215242	5831343	5434076	5173168	4793491	8546747	5378169	5134921	5386195	5081715	6674973	6740213
C38:6 PE	1388372	1368737	1096050	1104099	1543037	1548766	973383	1199267	734588	892980	1326826	931351	696684	857797	919670	1030149	973240	895856	1130238	1537232	1080736	1000120	1020429	3333213	3045520	921796	1388372	1368391	962423	1833467	772354	1281382	896349	1285571	1270310	2307087	1384705	1279382	1173953	1720649	954727	2868268	1935534	2850188	1561159	2148382	1117757	877276	1388372	1398108	924965	1235481	918050	927264	5278910	1375593	1002324	1092206	1108492	2321948	1368741	1361972	1389784	1344290	1388372	1416190
C38:4 PE	79376073	78288074	73974169	75337146	73518085	73693121	78036294	75063424	70932585	82518521	75343022	72979586	72980258	81005384	83606338	81183464	87748157	82513403	95866886	78486075	91362297	88469362	85842656	76839356	73015468	93767412	79376073	81278121	83355206	75653614	82322792	84165155	82470551	86718021	88100665	80338843	86667839	86783791	80760895	62224239	82368701	55742654	68175717	74278778	74552402	61174953	80989272	85332543	79376073	79852417	85390057	84559048	75459056	89485734	42176511	92510819	91370976	86429410	84792492	69358560	74796682	73572705	77194921	74466379	79376073	80425862
C40:6 PE	1895330	1846446	1212028	1226764	1832041	1849956	1182387	1561075	928203	1064581	1746445	1259074	1017208	1131346	1083148	1284060	1427313	1340504	1412810	2049801	1518085	1380473	1465641	4185984	4087079	1383895	1895330	1962471	1245601	2739043	1054170	1631424	1281090	1793581	1645460	2816379	1772806	1513400	1573963	3008985	1225387	4283474	2859893	4333090	2141367	3385678	1492514	1027141	1895330	1991831	1286702	1612410	1248808	1394308	7704157	2006995	1463981	1577755	1526596	3197909	1236343	1256834	1485052	1475738	1895330	1918063
C34:3 PE plasmalogen	206133	196267	281429	263773	296257	270769	212658	242501	199026	221420	342692	264365	224585	205204	193007	197692	162902	160967	142157	220420	152505	224490	259673	233133	235765	155561	206133	204323	195698	242205	228649	175468	225275	175237	199435	197611	206511	165433	207081	256260	175822	281366	270277	222153	265897	218164	225661	195621	206133	221458	153563	211480	184535	137052	276810	139900	174613	133573	149883	239031	249926	239727	220397	208471	206133	216692
C34:2 PE plasmalogen	437104	415793	615761	602336	508389	522932	475084	386499	486998	518449	579801	531944	621314	531688	587050	556882	489783	489057	339937	496191	367691	609700	687850	307928	361591	403239	437104	424604	460255	367210	664240	362583	614325	420141	463422	365560	463134	351252	432786	372125	463180	444770	599407	310366	498423	308146	507075	470861	437104	446239	409446	491300	397809	299156	277812	337329	519324	303846	318627	394587	524049	512640	449197	426639	437104	426926
C36:5 PE plasmalogen	10019792	9697057	12804054	12882824	12857657	12845135	12977444	11167828	9735001	11170476	10970250	10205407	10970347	12647660	12111598	11373500	9250768	8723204	10152778	9250794	9332683	10279194	10008352	8586495	8389272	8672747	10019792	10283358	12043549	10484910	11475207	12575282	11880152	9601073	9709010	9198583	10334973	9104232	11791471	9047049	10667974	8695515	9693274	10511115	11352972	8586219	11854702	12295982	10019792	10158126	8543104	10609177	9001476	8702281	5733883	9788341	9304702	8914854	9208346	8201940	12547750	12735449	13265575	12900450	10019792	10066247
C38:7 PE plasmalogen	1946368	1843138	2279228	2294706	2531058	2481584	1977268	2187026	1726851	2088934	2318729	1843268	1646596	1870178	1837844	1719953	1747746	1594031	2129465	1850501	2044036	2092697	2564761	1910242	2048399	2002857	1946368	2014051	2275457	2255098	2077033	2201420	2307312	2189837	2274169	2165872	2369225	1863546	1836085	1571608	1680247	1772123	1819100	2075416	2014384	1535404	1986047	1959394	1946368	1982850	1588839	2176608	1817180	1647518	1727778	2069108	1772132	1935442	2072968	1864985	2271549	2408210	2513222	2436493	1946368	2011372
C38:6 PE plasmalogen	9497764	8959918	14291308	14740586	15146307	14777879	12073817	11262565	9127778	11488115	11446559	9762249	10651702	11729004	10709927	10193317	8959638	8424675	9679776	8926962	9386444	9793503	11842946	7280004	8283289	9006454	9497764	9862638	11620061	9267923	11348581	10893458	12077632	9785164	10458563	8732990	10206035	8006570	10560331	6976263	9485193	7049403	8832552	8978719	10537476	6279880	10750517	11711730	9497764	9687799	7659001	10009812	8521893	8032216	3635357	9434755	8671554	9262873	9060267	7547485	13529532	14601781	15056296	14775898	9497764	9636736
C38:5 PE plasmalogen	15852749	14941536	16780756	17399460	16996657	16878525	17575299	15306066	14262724	15493059	15411517	15299749	15233306	17244351	17594490	18378130	17552126	17404648	14764869	15214634	16626622	19321066	19006913	13528631	13867664	16589647	15852749	16397149	17089687	14046076	16615269	16836827	18066934	15738761	16644254	16213452	18225957	16047406	17030754	13266118	16523600	11592216	15175359	13901038	16083556	12025298	17373700	17772919	15852749	16114199	15853265	17565379	15267929	15716638	6777388	16425633	18182556	16152989	15701686	13655963	16437161	17595377	16173823	16055600	15852749	16005947
C40:7 PE plasmalogen	1736282	1589389	1747329	1798100	1844566	1849694	1595261	1656614	1455183	1887209	1881354	1823489	1541496	1628503	1726240	1713759	1698031	1707184	1729737	1639198	1948429	2151998	2837774	1487253	1813233	1884275	1736282	1737593	2042572	1648110	2018958	1690531	2290096	1880018	2181048	1818509	2152575	1717897	1575654	1189996	1517103	1534339	1845763	1515544	1737837	1177697	1655418	1669625	1736282	1763521	1452779	1896102	1621108	1397819	1447303	1685986	1722645	1615939	1579599	1623261	1735337	1839405	1768478	1782183	1736282	1697715
C14:0 SM	52927	59827	69171	79154	130345	124234	87500	57526	1244	130974	104439	46355	17705	63304	107635	39921	46821	37881	123726	71472	80499	81886	124364	60835	66108	50430	52927	44602	91676	33667	59397	99161	63242	36970	82613	65688	105235	65354	72661	nan	33913	13974	76244	83269	54296	5144	81858	86945	52927	46355	29545	47589	19067	43374	20547	97668	35291	76647	64900	79132	128808	121674	110827	111296	52927	64337
C16:1 SM	2069890	2107974	2879012	3247082	3344331	3648088	2592793	2467362	980090	2073716	2677311	1579506	1346587	1843326	2064731	1709381	1870951	1681812	2571628	2017856	2762632	2134429	2741222	1789809	1875284	2277158	2069890	2026939	2519461	1965394	1679896	2509338	1921957	2250961	2811489	2285955	2953226	2192710	1974733	1120524	1902057	1290636	1910705	2311988	2191742	1154025	2243087	2579541	2069890	2047336	1797450	2985111	2004763	1852827	1034715	3255014	1940314	2814227	2783064	1800710	3665302	3683355	3385854	3417468	2069890	2180362
C16:0 SM	73134976	71476997	86034892	96821901	94882310	104667465	105491414	80589526	42097293	84510664	90625544	64765688	70308165	87081438	87582301	76757756	73222007	64156927	77426266	62121594	92858282	80257458	95386979	53359126	57407148	79470645	73134976	74207831	96678255	67068717	78426607	97028989	91304924	81252103	96996133	56752619	90694434	71591941	69291783	37042064	80228462	34191837	54977402	75440745	64196105	35843540	81759811	100984550	73134976	71618891	69949034	86046413	58919087	74306293	18110717	101511756	78627212	93223679	87830374	55279597	89503414	88482502	92224634	94584292	73134976	76681466
C18:1 SM	1699339	1605312	2790967	2849855	3147574	3053740	2069620	1646407	656666	1720577	2095446	1430811	1296333	1740121	1811227	1800638	1687153	1518239	2158763	1793476	1936379	2239547	3153537	1261859	1832396	1641195	1699339	1758735	2155462	1288275	1701527	2194108	2257062	1902302	2710351	1815134	2790783	1625417	1668205	795225	1592887	1214565	1810874	1853483	1778460	742966	1974475	2098146	1699339	1693858	1380391	2408156	1470079	1273880	771124	2162881	1728045	1985918	1794783	1513184	2641979	2568870	2798681	2762593	1699339	1761340
C18:0 SM	9151730	8511990	11363346	11338628	12159789	11757013	9820954	7082520	3750193	9760232	9814248	8758243	9471048	9711993	9504453	10711751	9455288	9240497	9745482	9411285	8823406	12965478	16141788	7002118	10822902	7941182	9151730	9317411	9669145	7085164	11438049	8999872	12642784	9100459	11232618	7361087	11421630	7554764	8452599	4903603	9413035	6534433	8869124	9400103	9458104	4623478	10225399	10532561	9151730	9119501	7667400	9865457	6669587	7286263	6069965	10959579	10955968	8968263	8407919	9341985	9651416	9200734	9465279	9445734	9151730	9540505
C20:0 SM	1923107	1955786	2360981	2380500	2271219	2469029	2072193	1315334	734490	1901225	1800999	1742436	2175848	1947007	1724304	2234769	1960586	2070093	1718801	1686480	1482402	2562875	2578728	1360992	2028455	1545099	1923107	1774793	1700310	1461775	2250102	1449564	2184563	1501597	1855070	1468173	1974250	1454231	1800539	1090067	1917906	1382066	1989997	1641884	1960814	998096	1994330	1788798	1923107	1866613	1406686	1693655	1231785	1350345	1437303	1883404	2245956	1446136	1506051	1691389	1834548	1827005	1901566	1829232	1923107	1890269
C22:0 SM	1741984	1742592	1853312	1760263	1794602	1819294	1864286	1336388	512223	1511555	1480033	1345268	1450450	1606112	1513403	1938945	1881307	1761218	1645651	1524590	1449221	1855351	1561470	1768294	2057312	1534154	1741984	1770665	1418149	1529896	1571250	1461921	1516573	1324807	1611149	1773624	1749106	1485020	1585997	1227735	1605303	1426213	1623796	1715842	1756826	1365115	1753791	1532509	1741984	1719664	1310327	1325085	1048638	1293728	2577170	1899392	1976423	1348672	1430632	1446180	1452254	1388569	1465014	1393696	1741984	1783215
sphingosine	2397790	2285083	2192442	2218391	2691522	2638862	1765944	2242517	1760730	2023959	1941786	1248850	1152318	1522160	2679487	1761965	2576947	1986220	4422813	2428077	3423047	2701261	2845270	1795571	1857115	3254697	2397790	2427468	2489765	1915168	1943722	3108891	1848457	3026151	3188310	2387282	3192719	2600570	1942742	1095299	2248303	1098322	1409276	2680937	1741134	1485870	2470036	2924662	2397790	2376638	2193641	2745113	2057971	2741808	571365	3782572	2833464	4514929	3536117	2149889	2608836	2597124	3186598	3362655	2397790	2467750
phytosphingosine	838453	774396	515779	502861	465458	471825	567641	679421	609093	623975	631059	444527	316095	485508	795371	571937	895701	853554	1783057	1088547	1214262	1188561	1151281	752305	694650	1513773	838453	807411	673238	556208	555824	809147	552282	1109820	980256	917322	1119790	1126632	534324	307996	748317	272885	413082	794162	505306	397740	739666	899637	838453	832330	787035	897544	727564	1001878	16395	1194979	1168925	1372168	1203486	793559	626562	643041	523105	519013	838453	838243
sphinganine	244380	235197	281553	288177	468693	460048	174873	240943	164624	202880	192946	158798	140620	183296	246761	241855	266642	194613	456378	245809	284581	257465	249507	288618	264270	248504	244380	250380	238343	193556	197272	312365	199011	283154	294348	294399	290043	249315	296422	141293	263630	134422	206642	320282	202959	150881	251649	317471	244380	253400	252296	230272	225149	272608	132045	345236	231481	297649	304509	183429	330549	329944	561783	596937	244380	246433
C16:0 Ceramide (d18:1)	4287509	4114000	3842738	3962436	3760458	3605498	5983210	3890332	2262880	4204604	3249174	2665157	3556820	3326864	5215813	3381138	3633862	5634051	3530015	4951241	3931827	4307876	4922504	3711145	3496488	4081991	4287509	4187327	3980003	3215778	4106362	5434698	4452405	4391341	3212356	3039674	4577463	4100639	4271235	3343907	5307286	2675457	3446079	4903455	3611837	2844492	4484102	4740412	4287509	4196499	5652949	6030779	2527230	4667861	1045948	7027959	6199653	6355155	4101572	4247603	3577541	3507134	3625816	3542835	4287509	4494424
C24:1 ceramide (d18:1)	3053340	2782005	2201403	2212603	2366430	1923856	2401467	2615718	791323	2506070	1863300	1835029	2126822	1892254	3011653	1900147	2865364	4092407	3453596	3686003	2297683	3002872	3361101	3198100	3712758	3239451	3053340	2932361	2918910	2442036	2047710	3107882	2806861	3607613	2899116	3287688	3357433	2681214	3028410	2846619	3094479	2358485	3322137	3060033	3275414	2785194	2799201	2757887	3053340	2814903	3320979	3021961	1883211	3168174	2303141	4205741	4262375	4192779	3847874	3490009	2692334	2334705	2137762	2083100	3053340	3194340
C34:1 DAG	60186	66153	101467	92561	107821	118831	73480	160492	39335	81272	60544	79789	29155	33534	47653	32225	26095	33738	49773	83899	13678	36923	13247	73898	60059	31563	60186	66036	71203	80578	22513	68658	16404	64181	47374	109502	56375	83187	91239	112538	61355	80493	84296	88281	107171	77685	69096	96230	60186	57015	20388	61498	139913	42307	73181	76047	46150	57284	113650	101341	61061	51743	90121	108324	60186	49696
cAMP	4287	4107	3668	2992	54728	50495	1903	464	nan	1333	8423	nan	4325	4969	29574	21473	1184	1099	414	nan	773	nan	1291	500	1099	nan	4287	3499	3013	4949	279	5816	14311	13503	nan	5038	nan	189	7667	1522	7609	17954	13085	3850	1907	11732	7166	30248	4287	4641	nan	891	2980	2100	nan	1513	257	745	nan	nan	4101	3185	12882	10957	4287	6136
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	formula	mz	neutral_mass	refmet_name	rt
phenylalanine-d8	C9H3D8NO2	174.1355	173.1292	phenylalanine-d8 [iSTD]	6.66
valine-d8	C5H3D8NO2	126.1366	125.1292	valine-d8 [iSTD]	7.37
1-methyladenosine	C11H15N5O4	282.1189	281.1124	1-Methyladenosine	7.63
1-methylhistamine	C6H11N3	126.1028	125.0953	1-Methylhistamine	9.54
1-methylnicotinamide	C7H9N2O	137.0706	137.0715	1-Methyl nicotinamide	8.18
21-deoxycortisol	C21H30O4	347.2206	346.2144	21-Deoxycortisol	2.01
2-aminoheptanoate	C7H15NO2	146.1171	145.110279	2-Amino-heptanoic acid	6.05
2'-deoxycytidine	C9H13N3O4	228.0966	227.0906	Deoxycytidine	5.94
3-methoxytyramine	C9H13NO2	168.101	167.0946	3-Methoxytyramine	6.33
3-methylhistidine	C7H11N3O2	170.0915	169.0851	3-Methylhistidine	9.7
4-guanidinobutanoate	C5H11N3O2	146.092	145.0851	4-Guanidinobutanoic acid	7.27
5-methylcytidine	C10H15N3O5	258.1079	257.1012	5-Methylcytidine	5.97
5-methylcytosine	C5H7N3O	126.0662	125.0589	5-Methylcytosine	6.08
7-methylguanine	C6H7N5O	166.0715	165.0651	7-Methylguanine	5.73
acetylcholine	C7H16NO2	146.1171	146.1181	Acetylcholine	7.74
adenosine	C10H13N5O4	268.1034	267.0968	Adenosine	4.97
ADMA	C8H18N4O2	203.1491	202.143	Dimethylarginine	9.65
ala-ala	C6H12N2O3	161.0913	160.084793	Ala-Ala	7.89
alanine	C3H7NO2	90.0551	89.0477	Alanine	7.74
allantoin	C4H6N4O3	159.0506	158.044	Allantoin	3.58
alpha-glycerophosphocholine	C8H20NO6P	258.1095	257.1028	sn-Glycero-3-phosphocholine	10.35
anserine	C10H16N4O3	241.1283	240.1222	Anserine	10.38
arachidoyl ethanolamide	C22H45NO2	356.3506	355.345	Eicosanoyl-EA	1.96
arginine	C6H14N4O2	175.118	174.1117	Arginine	9.04
argininosuccinate	C10H18N4O6	291.1291	290.1226	Argininosuccinic acid	9.24
asparagine	C4H8N2O3	133.0607	132.0535	Asparagine	7.82
aspartate	C4H7NO4	134.0447	133.0375	Aspartic acid	7.81
beta-alanine	C3H7NO2	90.0551	89.0477	beta-Alanine	7.96
beta-guanidinopropionate	C4H9N3O2	132.0766	131.0695	3-Guanidinopropanoic acid	7.44
betaine	C5H11NO2	118.0864	117.079	Betaine	8.93
biliverdin	C33H34N4O6	583.2533	582.2478	Biliverdin	1.96
butyrobetaine	C7H15NO2	146.1171	145.1103	3-Dehydroxycarnitine	8.76
carnitine	C7H15NO3	162.1117	161.1052	Carnitine	8.79
C2 carnitine	C9H17NO4	204.1218	203.1158	CAR(2:0)	8.66
C3 carnitine	C10H19NO4	218.1375	217.1314	CAR(3:0)	8.31
C3-DC carnitine	C10H17NO6	248.1121	247.1056	CAR(DC3:0)	9.45
C3-DC-CH3 carnitine	C11H19NO6	262.128	261.1212	CAR(DC3:0(2Me))	8.55
C4 carnitine	C11H21NO4	232.1534	231.1471	CAR(4:0)	7.99
C4-OH carnitine	C11H21NO5	248.1485	247.142	CAR(4:0(OH))	8.83
C5 carnitine	C12H23NO4	246.1692	245.1627	CAR(5:0)	7.77
C5:1 carnitine	C12H21NO4	244.1537	243.1471	CAR(5:1)	7.85
C6 carnitine	C13H25NO4	260.1851	259.1784	CAR(6:0)	7.55
C7 carnitine	C14H27NO4	274.2009	273.194	CAR(7:0)	7.41
C8 carnitine	C15H29NO4	288.2162	287.2097	CAR(8:0)	7.28
C10 carnitine	C17H33NO4	316.2472	315.241	CAR(10:0)	7.07
C12 carnitine	C19H37NO4	344.2784	343.2723	CAR(12:0)	6.88
C12:1 carnitine	C19H35NO4	342.2628	341.2566	CAR(12:1)	6.94
C14 carnitine	C21H41NO4	372.3096	371.3036	CAR(14:0)	6.73
C14:1 carnitine	C21H39NO4	370.294	369.2879	CAR(14:1)	6.73
C14:2 carnitine	C21H37NO4	368.2783	367.2723	CAR(14:2)	6.79
C16 carnitine	C23H45NO4	400.3409	399.3349	CAR(16:0)	6.61
C16-OH carnitine	C23H45NO5	416.3359	415.3298	CAR(16:0(OH))	7.05
C18 carnitine	C25H49NO4	428.3725	427.3662	CAR(18:0)	6.51
C18:1 carnitine	C25H47NO4	426.3567	425.3505	CAR(18:1)	6.53
C18:1-OH carnitine	C25H47NO5	442.3516	441.3454	CAR(18:1(OH))	6.96
C18:2 carnitine	C25H45NO4	424.3409	423.3349	CAR(18:2)	6.58
C20 carnitine	C27H53NO4	456.4037	455.3975	CAR(20:0)	6.4
C20:4 carnitine	C31H54NO4	448.3409	447.3349	CAR(20:4)	6.49
C26 carnitine	C33H65NO4	540.4987	539.4914	CAR(26:0)	6.19
cadaverine	C5H14N2	103.1231	102.1157	Cadaverine	9.66
carnosine	C9H14N4O3	227.1127	226.1066	Carnosine	9.66
C-glycosyltryptophan	C17H22N2O7	367.1488	366.1427	C-Glycosyltryptophan	7.04
choline	C5H14NO	104.107	104.1075	Choline	8.23
citrulline	C6H13N3O3	176.102	175.0957	Citrulline	8.28
cortisol	C21H30O5	363.2156	362.2093	Cortisol	2.04
cortisone	C21H28O5	361.2002	360.1937	Cortisone	2.04
creatine	C4H9N3O2	132.0767	131.0695	Creatine	8.27
creatinine	C4H7N3O	114.0664	113.0589	Creatinine	6.41
cyclohexylamine	C6H13N	100.1121	99.1048	Cyclohexylamine	6.39
cytidine	C9H13N3O5	244.092	243.0855	Cytidine	5.8
dimethylglycine	C4H9NO2	104.0707	103.0633	Dimethylglycine	8.48
ectoine	C6H10N2O2	143.0811	142.0742	Ectoine	8.87
GABA	C4H9NO2	104.0707	103.0633	gamma-Aminobutyric acid	7.58
glutamate	C5H9NO4	148.0599	147.0532	Glutamic acid	7.58
glutamine	C5H10N2O3	147.0759	146.0691	Glutamine	7.95
glutathione reduced	C10H17N3O6S	308.0902	307.0838	Glutathione	7.82
glycine	C2H5NO2	76.0393	75.032	Glycine	7.85
guanidinoacetate	C3H7N3O2	118.0613	117.0538	Guanidoacetic acid	7.81
guanosine	C10H13N5O5	284.0982	283.0917	Guanosine	5.23
histamine	C5H9N3	112.0871	111.0796	Histamine	9.11
histidine	C6H9N3O2	156.0761	155.0695	Histidine	9.23
homoarginine	C7H16N4O2	189.1334	188.1273	Homoarginine	9.08
hydroxyproline	C5H9NO3	132.0654	131.0582	Hydroxyproline	7.82
hypotaurine	C2H7NO2S	110.0272	109.0198	Hypotaurine	7.93
imidazole propionate	C6H8N2O2	141.0655	140.058578	Imidazolepropionic acid	7.41
imidazoleacetate	C5H6N2O2	127.0503	126.0429	Imidazoleacetic acid	8.02
inosine	C10H12N4O5	269.0874	268.0808	Inosine	4.81
isoleucine	C6H13NO2	132.1018	131.0946	Isoleucine	7.04
L-alpha-glutamyl-L-Lysine	C11H21N3O5	276.1547	275.148122	Glu-Lys	9.61
leucine	C6H13NO2	132.1018	131.0946	Leucine	6.91
leu-gly	C8H16N2O3	189.1223	188.116093	Leu-Gly	7.43
linoleoyl ethanolamide	C20H37NO2	324.2887	323.2824	Linoleoyl-EA	1.99
lysine	C6H14N2O2	147.1123	146.1055	Lysine	9.27
metanephrine	C10H15NO3	198.1111	197.105193	L-Metanephrine	6.6
methionine	C5H11NO2S	150.0578	149.0511	Methionine	6.97
methionine sulfoxide	C5H11NO3S	166.0525	165.046	Methionine sulfoxide	8.57
methyl N-methylanthranilate	C9H11NO2	166.0855	165.078979	Methyl N-methylanthranilate	2.05
methylguanidine	C2H7N3	74.0712	73.064	Methylguanidine	6.76
methylimidazoleacetate	C6H8N2O2	141.0656	140.0586	Methylimidazoleacetic acid	8.86
methylthioadenosine	C11H15N5O3S	298.0959	297.0896	5'-Methylthioadenosine	4.19
N1-acetylspermidine	C9H21N3O	188.1746	187.1685	N1-Acetylspermidine	9.72
N1-methyl-2-pyridone-5-carboxamide	C7H8N2O2	153.0653	152.0586	N1-Methyl-2-pyridone-5-carboxamide	4.31
N4-acetylcytidine	C11H15N3O6	286.1026	285.0961	N4-Acetylcytidine	4.22
N6,N6,N6-trimethyllysine	C9H20N2O2	189.1586	188.1525	N-6-Trimethyllysine	11.1
N6,N6-dimethyllysine	C8H18N2O2	175.1432	174.136828	N(6),N(6)-Dimethyl-lysine	10.15
N6-acetyllysine	C8H16N2O3	189.1222	188.1161	N6-Acetyllysine	8.32
N6-methyllysine	C7H16N2O2	161.1278	160.1212	N(6)-Methyllysine	9.57
N-acetylaspartate	C6H9NO5	176.0544	175.0481	N-Acetylaspartic acid	4.53
N-acetylglutamine	C7H12N2O4	189.0855	188.0797	N-Acetylglutamine	7.02
N-acetylhistamine	C7H11N3O	154.0969	153.0902	N-Acetylhistamine	7.69
N-acetylleucine	C8H15NO3	174.1116	173.1052	N-Acetylleucine	2.88
N-acetylmethionine	C7H13NO3S	192.0678	191.0616	N-Acetylmethionine	3.54
N-acetylornithine	C7H14N2O3	175.1067	174.1004	N-Acetylornithine	8.34
N-acetylputrescine	C6H14N2O	131.1179	130.1106	N-Acetylputrescine	7.88
N-acetylserotonin	C12H14N2O2	219.1115	218.1055	N-Acetylserotonin	2.53
N-alpha-acetylarginine	C8H16N4O3	217.1284	216.1222	N-Acetylarginine	8.13
N-carbamoyl-beta-alanine	C4H8N2O3	133.0608	132.0535	Ureidopropionic acid	4.1
niacinamide	C6H6N2O	123.0555	122.048	Niacinamide	3.77
N-lauroylglycine	C14H27NO3	258.2058	257.199094	N-Lauroylglycine	2.39
N-methylproline	C6H11NO2	130.0862	129.078979	N-Methyl-proline	8.57
NMMA	C7H16N4O2	189.1334	188.1273	Targinine	9.31
oleoyl glycine	C20H37NO3	340.2834	339.2773	N-Oleoyl glycine	2.39
ornithine	C5H12N2O2	133.0971	132.0899	Ornithine	9.16
pantothenate	C9H17NO5	220.1167	219.1107	Pantothenic acid	3.01
pantothenol	C9H19NO4	206.1377	205.1314	Pantothenol	3.78
phenylacetylglycine	C10H11NO3	194.0799	193.0739	Phenylacetylglycine	2.64
phenylalanine	C9H11NO2	166.0854	165.079	Phenylalanine	6.48
phosphocholine	C5H14NO4P	184.0722	183.066	Choline phosphate	10.67
pipecolate	C6H11NO2	130.0862	129.079	Pipecolic acid	7.93
progesterone	C21H30O2	315.2308	314.2246	Progesterone	1.86
pro-gly	C7H12N2O3	173.0911	172.084793	Pro-Gly	8.46
proline	C5H9NO2	116.0709	115.0633	Proline	8.06
proline-betaine	C7H13NO2	144.1015	143.0946	Proline betaine	9.2
pseudouridine	C9H12N2O6	245.0762	244.0695	Pseudouridine	4.11
putrescine	C4H12N2	89.1073	88.1	Putrescine	9.29
S-adenosylhomocysteine	C14H20N6O5S	385.1278	384.1216	S-Adenosylhomocysteine	8.05
S-adenosylmethionine	C15H23N6O5S	399.1434	399.1451	S-Adenosylmethionine	10
salsolinol	C10H13NO2	180.1008	179.0946	(R)-Salsolinol	6.6
SDMA	C8H18N4O2	203.1491	202.143	Symmetric dimethyl-arginine	9.54
serine	C3H7NO3	106.05	105.0426	Serine	7.59
serotonin	C10H12N2O	177.1012	176.095	Serotonin	6.22
S-methyl-L-cysteine-S-oxide	C4H9NO3S	152.0381	151.030316	S-Methylcysteine S-oxide	8.45
taurine	C2H7NO3S	126.0221	125.0147	Taurine	6.04
thiamine	C12H17N4OS	265.1112	265.1123	Thiamine	9.66
threonine	C4H9NO3	120.0658	119.0582	Threonine	7.5
trigonelline	C7H7NO2	138.0547	137.0477	Trigonelline	8.84
trimethylamine-N-oxide	C3H9NO	76.0757	75.0684	Trimethylamine N-oxide	8.11
tryptophan	C11H12N2O2	205.0959	204.0899	Tryptophan	6.43
tyramine	C8H11NO	138.0911	137.0841	Tyramine	6.22
tyrosine	C9H11NO3	182.0801	181.0739	Tyrosine	6.75
urate	C5H4N4O3	169.0347	168.0283	Uric acid	4.15
urocanate	C6H6N2O2	139.0499	138.0429	Urocanic acid	4.53
valine	C5H11NO2	118.0865	117.079	Valine	7.35
warfarin	C19H16O4	309.1115	308.1049	Warfarin	1.72
xanthine	C5H4N4O2	153.0401	152.0334	Xanthine	3.68
xanthosine	C10H12N4O6	285.0823	284.0757	Xanthosine	4.31
C14:0 LPC	C22H46NO7P	468.3075	467.3012	LPC(14:0)	7.82
C16:1 LPC	C24H48NO7P	494.3235	493.3168	LPC(16:1)	7.73
C16:0 LPC	C24H50NO7P	496.3389	495.3325	LPC(0:0/16:0)	7.67
C18:3 LPC	C26H48NO7P	518.3211	517.3168	LPC(18:3)	7.68
C18:2 LPC A	C26H50NO7P	520.3392	519.3325	LPC(0:0/18:2)_hp_a	7.65
C18:2 LPC B	C26H50NO7P	520.3393	519.3325	LPC(0:0/18:2)_hp_b	7.56
C18:1 LPC	C26H52NO7P	522.355	521.3481	LPC(18:1)	7.61
C18:0 LPC	C26H54NO7P	524.3706	523.3638	LPC(18:0)	7.56
C20:5 LPC	C28H48NO7P	542.3229	541.3168	LPC(20:5)	7.64
C20:4 LPC	C28H50NO7P	544.3396	543.3325	LPC(20:4)	7.46
C20:3 LPC	C28H52NO7P	546.3549	545.3481	LPC(20:3)	7.58
C20:1 LPC	C28H56NO7P	550.3866	549.3794	LPC(20:1)	7.47
C22:6 LPC	C30H50NO7P	568.3381	567.3325	LPC(22:6)	7.43
C22:5 LPC	C30H52NO7P	570.3541	569.3481	LPC(22:5)	7.44
C22:4 LPC	C30H54NO7P	572.3691	571.3638	LPC(22:4)	7.38
C24:0 LPC	C32H66NO7P	608.4638	607.4577	LPC(24:0)	7.26
C16:1 LPC plasmalogen	C24H50NO6P	480.3439	479.3376	LPC(P-16:0)/LPC(O-16:1)	7.5
C18:1 LPC plasmalogen A	C26H54NO6P	508.3755	507.3689	LPC(P-18:0)/LPC(O-18:1)_hp_a	7.72
C18:1 LPC plasmalogen B	C26H54NO6P	508.3756	507.3689	LPC(P-18:0)/LPC(O-18:1)_hp_b	7.39
C16:0 LPE	C21H44NO7P	454.2919	453.2855	LPE(16:0)	6.22
C18:3 LPE	C23H42NO7P	476.2738	475.2699	LPE(18:3)	6.22
C18:2 LPE	C23H44NO7P	478.292	477.2855	LPE(18:2)	6.13
C18:1 LPE	C23H46NO7P	480.3076	479.3012	LPE(18:1)	6.17
C18:0 LPE A	C23H48NO7P	482.3232	481.3168	LPE(18:0)_hp_a	6.15
C18:0 LPE B	C23H48NO7P	482.3234	481.3168	LPE(18:0)_hp_b	7.73
C20:4 LPE	C25H44NO7P	502.2919	501.2855	LPE(20:4)	6.07
C20:1 LPE	C25H50NO7P	508.3399	507.3325	LPE(20:1)	7.67
C20:0 LPE	C25H52NO7P	510.3548	509.3481	LPE(20:0)	7.61
C22:6 LPE	C27H44NO7P	526.2925	525.2855	LPE(22:6)	6.05
C30:0 PC	C38H76NO8P	706.5337	705.5309	PC(30:0)	6.62
C32:2 PC	C40H76NO8P	730.5346	729.5309	PC(32:2)	6.58
C34:3 PC	C42H78NO8P	756.5465	755.5465	PC(34:3)	6.55
C36:2 PC	C44H84NO8P	786.5947	785.5935	PC(36:2)	6.51
C34:3 PC plasmalogen	C42H80NO7P	742.571	741.5672	PC(P-34:2)/PC(O-34:3)	6.51
C36:5 PC plasmalogen	C44H80NO7P	766.5683	765.5672	PC(P-36:4)/PC(O-36:5)	6.42
C36:3 PE plasmalogen	C41H78NO7P	728.5549	727.5516	PE(P-36:2)/PE(O-36:3)	5.38
C38:7 PC plasmalogen	C46H80NO7P	790.5688	789.5672	PC(P-38:6)/PC(O-38:7)	6.38
C38:6 PC plasmalogen	C46H82NO7P	792.5847	791.5829	PC(P-38:5)/PC(O-38:6)	6.37
C34:2 PE	C39H74NO8P	716.5181	715.5152	PE(34:2)	5.45
C34:0 PE	C39H78NO8P	720.5499	719.5465	PE(34:0)	6.61
C36:4 PE	C41H74NO8P	740.5186	739.5152	PE(36:4)	5.39
C36:2 PE	C41H78NO8P	744.5498	743.5465	PE(36:2)	5.42
C38:6 PE	C43H74NO8P	764.5165	763.5152	PE(38:6)	5.37
C38:4 PE	C43H78NO8P	768.5473	767.5465	PE(38:4)	5.36
C40:6 PE	C45H78NO8P	792.5475	791.5465	PE(40:6)	5.33
C34:3 PE plasmalogen	C39H74NO7P	700.5226	699.5203	PE(P-34:2)/PE(O-34:3)	5.41
C34:2 PE plasmalogen	C39H76NO7P	702.5386	701.5359	PE(P-34:1)/PE(O-34:2)	5.4
C36:5 PE plasmalogen	C41H74NO7P	724.5234	723.5203	PE(P-36:4)/PE(O-36:5)	5.33
C38:7 PE plasmalogen	C43H74NO7P	748.5212	747.5203	PE(P-38:6)/PE(O-38:7)	5.3
C38:6 PE plasmalogen	C43H76NO7P	750.5368	749.5359	PE(P-38:5)/PE(O-38:6)	5.3
C38:5 PE plasmalogen	C43H78NO7P	752.5523	751.5516	PE(P-38:4)/PE(O-38:5)	5.3
C40:7 PE plasmalogen	C45H78NO7P	776.5527	775.5516	PE(P-40:6)/PE(O-40:7)	5.27
C14:0 SM	C37H75N2O6P	675.5387	674.5363	SM(d18:1/14:0)	7.17
C16:1 SM	C39H77N2O6P	701.5546	700.5519	SM(d18:1/16:1)	7.14
C16:0 SM	C39H79N2O6P	703.5699	702.5676	SM(d18:1/16:0)	7.13
C18:1 SM	C41H81N2O6P	729.5864	728.5832	SM(d18:1/18:1)	7.06
C18:0 SM	C41H83N2O6P	731.602	730.5989	SM(d18:1/18:0)	7.05
C20:0 SM	C43H87N2O6P	759.631	758.6302	SM(d18:1/20:0)	6.98
C22:0 SM	C45H91N2O6P	787.6623	786.6615	SM(d18:1/22:0)	6.93
sphingosine	C18H37NO2	300.2888	299.2824	Sphingosine	5.7
phytosphingosine	C18H39NO3	318.2992	317.293	Phytosphingosine	5.82
sphinganine	C18H39NO2	302.3043	301.2981	Sphinganine	5.72
C16:0 Ceramide (d18:1)	C34H67NO3	538.5191	537.5121	Cer(d18:1/16:0)	1.86
C24:1 ceramide (d18:1)	C42H83NO3	648.6258	649.6373	Cer(d18:0/24:1)	1.8
C34:1 DAG	C37H70O5	617.5104	594.5223	DG(34:1)	1.59
cAMP	C10H12N5O6P	330.0594	329.0525	3',5' cyclic AMP	6.9
METABOLITES_END
#END