#METABOLOMICS WORKBENCH efahy_20230425_000086 DATATRACK_ID:3983 STUDY_ID:ST002668 ANALYSIS_ID:AN004340 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 Lung Powder
ST:STUDY_TITLE                   	- Untargeted HILIC-Positive
ST:STUDY_SUMMARY                 	The goal of the endurance exercise training study in young adult rats (internal
ST:STUDY_SUMMARY                 	code: PASS1B-06) was to perform exercise training studies in adult (6 month)
ST:STUDY_SUMMARY                 	F344 rats, and from these rats collect as many tissues as feasible in order to
ST:STUDY_SUMMARY                 	provide high quality samples for detailed analysis by chemical analysis sites.
ST:STUDY_SUMMARY                 	Tissues were collected from 10-12 rats sedentary control rats concurrent with
ST:STUDY_SUMMARY                 	the collection of the 8-week training groups. The 8-week training group and
ST:STUDY_SUMMARY                 	controls were from the same cohort and same age at euthanasia (either 8). For
ST:STUDY_SUMMARY                 	the older age group, an additional set of controls (n=5-6) were collected with
ST:STUDY_SUMMARY                 	the 1-2 week training group. Rats were either sedentary or underwent an exercise
ST:STUDY_SUMMARY                 	training program. Rats were exercised on the rodent treadmill 5 days per week
ST:STUDY_SUMMARY                 	using a progressive training protocol designed to exercise the rats at
ST:STUDY_SUMMARY                 	approximately 70% of VO2max as outlined in the Table on the next page. Training
ST:STUDY_SUMMARY                 	was performed no earlier than 10:00 am and no later than 5:00 pm over 5
ST:STUDY_SUMMARY                 	consecutive days per week. Training was initiated with the treadmill set at 70%
ST:STUDY_SUMMARY                 	of VO2 max (see tables) and 5 degrees grade for 20 minutes. The duration of
ST:STUDY_SUMMARY                 	exercise was increased by one minute each day until day 31 of training (start of
ST:STUDY_SUMMARY                 	week 7), when a duration of 50 min was reached. Speed and grade of each training
ST:STUDY_SUMMARY                 	session increased in larger increments due to treadmill parameters. The highest
ST:STUDY_SUMMARY                 	intensity and duration of training began on day 31. This intensity was
ST:STUDY_SUMMARY                 	maintained for the final 10 days of the protocol to ensure steady state had been
ST:STUDY_SUMMARY                 	achieved. If any rats were unable to perform at least 4 days of training per
ST:STUDY_SUMMARY                 	week they were removed from the study and euthanized. It is important to note
ST:STUDY_SUMMARY                 	that the starting treadmill speed varied depending on the sex and age of the
ST:STUDY_SUMMARY                 	rat. The initial and maximum speeds were based on VO2max measurements obtained
ST:STUDY_SUMMARY                 	during the pre-training testing of the compliant rats. Rats assigned to the
ST:STUDY_SUMMARY                 	control group followed a schedule similar to the training group. They were
ST:STUDY_SUMMARY                 	placed in one lane on the treadmill for 15 minutes/day, 5 days per week. The
ST:STUDY_SUMMARY                 	treadmill was set at 0 m/min at an incline that corresponded to the incline
ST:STUDY_SUMMARY                 	being used by the training group.
ST:INSTITUTE                     	Broad Institute
ST:DEPARTMENT                    	Metabolomics Platform
ST:LABORATORY                    	Clish
ST:LAST_NAME                     	Clish
ST:FIRST_NAME                    	Clary
ST:ADDRESS                       	415 Main St, Cambridge, MA 02142
ST:EMAIL                         	clary@broadinstitute.org
ST:PHONE                         	(617) 714-7654
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Rattus norvegicus
SU:TAXONOMY_ID                   	10116
#SUBJECT_SAMPLE_FACTORS:          	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA01	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0349m_MoTrPAC_PASS1B_HP-PREFA01.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB01	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0349n_MoTrPAC_PASS1B_HP-PREFB01.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed01	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0349o_MoTrPAC_PASS1B_HP-Sed01-LUN.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed02	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0349p_MoTrPAC_PASS1B_HP-Sed02-LUN.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE01	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0349q_MoTrPAC_PASS1B_HP-IPE01-LUN.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE02	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0349r_MoTrPAC_PASS1B_HP-IPE02-LUN.raw
SUBJECT_SAMPLE_FACTORS           	BC49E4EF-E2FE-4269-BAF0-461F768BD95D	90217016605	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0350_MoTrPAC_PASS1B_HP-90217016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	0BD282C7-7832-4581-9089-08A32D557034	90218016605	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0351_MoTrPAC_PASS1B_HP-90218016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	955498F4-70A0-4D50-A2BA-619A8FED8FEF	90222016605	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0352_MoTrPAC_PASS1B_HP-90222016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	CFE06932-9314-4BCC-B2D9-73883D5FCDFB	90223016605	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0353_MoTrPAC_PASS1B_HP-90223016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	3719CB62-B551-49BE-94A0-E51DFE13D30D	90225016605	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0354_MoTrPAC_PASS1B_HP-90225016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	F65955CE-E49F-48C7-B861-02A2FDF6F9B8	90227016605	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0355_MoTrPAC_PASS1B_HP-90227016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	0559B193-BED3-4170-B045-10A2B6441CB6	90229016605	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0356_MoTrPAC_PASS1B_HP-90229016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	90CFE5A4-76FE-4458-A2B1-A66F0B60118E	90232016605	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0357_MoTrPAC_PASS1B_HP-90232016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	F0D83B29-8EFA-4CDE-B1AA-2358AC220ECF	90237016605	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0358_MoTrPAC_PASS1B_HP-90237016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	FCE9ABE6-B60B-4934-BAE5-56AF8B11ECEC	90239016605	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0359_MoTrPAC_PASS1B_HP-90239016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	1628FB23-6F66-47D4-8D82-63C87726F0FD	90245016605	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0360_MoTrPAC_PASS1B_HP-90245016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	69FD4884-786D-4F2A-97B1-6174FBD25D60	90248016605	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0361_MoTrPAC_PASS1B_HP-90248016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	0D5071F5-D166-4CF1-BE8B-EB4DF6E04C0E	90251016605	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0362_MoTrPAC_PASS1B_HP-90251016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	07AF7369-F082-4CA7-99D5-D973F4A162C9	90252016605	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0363_MoTrPAC_PASS1B_HP-90252016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	2479BEE5-2A38-4D09-B15B-B1715F561A9F	90254016605	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0364_MoTrPAC_PASS1B_HP-90254016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	0A4A7935-3AF4-463F-84E3-DCF07671509D	90258016605	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0365_MoTrPAC_PASS1B_HP-90258016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	04C84D7E-FC8C-422F-AE4B-CAFADB63407B	90259016605	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0366_MoTrPAC_PASS1B_HP-90259016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	F9BEE1FA-E2DB-4BE4-A79C-99D585D6FD17	90265016605	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0367_MoTrPAC_PASS1B_HP-90265016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	A77AC89A-1D9E-4516-9DA4-2BE99C8126EF	90266016605	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0368_MoTrPAC_PASS1B_HP-90266016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	2B969165-1A52-43AA-8FD9-39AFA62F094F	90267016605	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0369_MoTrPAC_PASS1B_HP-90267016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA02	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0369a_MoTrPAC_PASS1B_HP-PREFA02.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB02	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0369b_MoTrPAC_PASS1B_HP-PREFB02.raw
SUBJECT_SAMPLE_FACTORS           	22D700B9-EDD0-4BC8-8155-EB9C39417F81	90280016605	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0370_MoTrPAC_PASS1B_HP-90280016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	1CA4210C-3CE6-4A5A-996B-673EBDEB3B81	90281016605	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0371_MoTrPAC_PASS1B_HP-90281016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	9F3E1040-D409-421E-B635-2572DC20ED89	90283016605	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0372_MoTrPAC_PASS1B_HP-90283016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	569A9229-04E8-414A-A195-FE9E8F1B66AB	90289016605	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0373_MoTrPAC_PASS1B_HP-90289016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	E4271AF1-899A-4A65-9D8D-BF18CEE3F1CF	90292016605	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0374_MoTrPAC_PASS1B_HP-90292016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	2E37478F-525F-4E5E-A882-EE75FD0CFB29	90406016605	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0375_MoTrPAC_PASS1B_HP-90406016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	A9CE3E3D-31A0-4443-8A7F-8FD831D79248	90410016605	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0376_MoTrPAC_PASS1B_HP-90410016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	3D5BC47C-BB3D-45A2-8DB8-D7ADCD51997C	90412016605	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0377_MoTrPAC_PASS1B_HP-90412016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	89D6F615-D17C-4EB9-88EB-A602940FF179	90416016605	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0378_MoTrPAC_PASS1B_HP-90416016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6	90420016605	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0379_MoTrPAC_PASS1B_HP-90420016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	6D680EA2-C62B-4A35-8B6E-2ED6A79CB017	90421016605	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0380_MoTrPAC_PASS1B_HP-90421016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	53F914B0-FD4F-4340-84A6-48341EAB3798	90422016605	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0381_MoTrPAC_PASS1B_HP-90422016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	D350D633-8D95-4783-99F2-BB8294D2EC32	90423016605	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0382_MoTrPAC_PASS1B_HP-90423016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	0DBFEB04-1B58-43CF-BAFD-9AA9915B67F6	90426016605	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0383_MoTrPAC_PASS1B_HP-90426016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	10E282EB-1DBA-406E-BD5D-81027083A01D	90430016605	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0384_MoTrPAC_PASS1B_HP-90430016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	4E974304-21EB-42E8-A729-A7FB6B406E64	90439016605	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0385_MoTrPAC_PASS1B_HP-90439016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	6527EC12-E7EB-4F17-BF0A-0AC7CD1819A0	90441016605	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0386_MoTrPAC_PASS1B_HP-90441016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	AEB1611A-F29E-43F8-B9F3-A2BC4F9EB504	90444016605	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0387_MoTrPAC_PASS1B_HP-90444016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	FDA87A8D-3634-4C42-9A1A-0EA03B58BB01	90449016605	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0388_MoTrPAC_PASS1B_HP-90449016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	CDCFA3F1-07ED-4737-A36D-15EFEC325AA5	90450016605	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0389_MoTrPAC_PASS1B_HP-90450016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA03	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0389a_MoTrPAC_PASS1B_HP-PREFA03.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB03	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0389b_MoTrPAC_PASS1B_HP-PREFB03.raw
SUBJECT_SAMPLE_FACTORS           	B73AB139-7210-4498-9CCF-E1DBE6EBA71C	90559016605	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0390_MoTrPAC_PASS1B_HP-90559016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	EA5C8932-9325-4DA5-96BB-50CD49CEDD10	90560016605	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0391_MoTrPAC_PASS1B_HP-90560016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	0645F621-878C-4C9B-84A6-58862BAA17D9	90564016605	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0392_MoTrPAC_PASS1B_HP-90564016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	68083256-8DAA-4185-B446-0CAF600474B5	90567016605	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0393_MoTrPAC_PASS1B_HP-90567016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	6A013AA1-4D1E-4B75-B691-6BA22D928E51	90571016605	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0394_MoTrPAC_PASS1B_HP-90571016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E	90576016605	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0395_MoTrPAC_PASS1B_HP-90576016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	DC8B35E8-4AA8-4829-8569-F223D069620C	90578016605	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0396_MoTrPAC_PASS1B_HP-90578016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	8904857C-2073-4BBA-AC7C-1EC239E5BFF7	90581016605	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0397_MoTrPAC_PASS1B_HP-90581016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	1F9BD644-303F-43E7-94BE-FF6654306F5E	90585016605	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0398_MoTrPAC_PASS1B_HP-90585016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	0409BED3-F9FE-4C06-9920-74F5E5CA04A3	90587016605	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0399_MoTrPAC_PASS1B_HP-90587016605-LUN.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed03	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0399a_MoTrPAC_PASS1B_HP-Sed03-LUN.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed04	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0399b_MoTrPAC_PASS1B_HP-Sed04-LUN.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE03	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0399c_MoTrPAC_PASS1B_HP-IPE03-LUN.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE04	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0399d_MoTrPAC_PASS1B_HP-IPE04-LUN.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA04	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0399e_MoTrPAC_PASS1B_HP-PREFA04.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB04	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0399f_MoTrPAC_PASS1B_HP-PREFB04.raw
#COLLECTION
CO:SAMPLE_TYPE                   	Lung
#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               	ST002668_AN004340_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	90217016605	90218016605	90222016605	90223016605	90225016605	90227016605	90229016605	90232016605	90237016605	90239016605	90245016605	90248016605	90251016605	90252016605	90254016605	90258016605	90259016605	90265016605	90266016605	90267016605	QC_PREFA02	QC_PREFB02	90280016605	90281016605	90283016605	90289016605	90292016605	90406016605	90410016605	90412016605	90416016605	90420016605	90421016605	90422016605	90423016605	90426016605	90430016605	90439016605	90441016605	90444016605	90449016605	90450016605	QC_PREFA03	QC_PREFB03	90559016605	90560016605	90564016605	90567016605	90571016605	90576016605	90578016605	90581016605	90585016605	90587016605	QC_Sed03	QC_Sed04	QC_IPE03	QC_IPE04	QC_PREFA04	QC_PREFB04
phenylalanine-d8	718651	727311	678279	696603	676715	673433	635766	691987	758958	709463	721310	742243	906834	738024	648926	707783	669094	720031	663562	701539	616164	590773	615299	690162	727991	696448	718651	709295	758488	682575	660560	780657	831975	758991	880741	718139	697684	696826	814122	844746	681912	713352	733720	704689	789980	722065	735917	735800	718651	724834	828507	908444	741242	837452	763924	818940	807500	636679	767751	708178	678844	682626	648188	649294	718651	732115
valine-d8	489578	488213	485282	492992	468254	464875	517983	477187	538027	477018	520014	502926	518323	525196	469774	468812	446272	460942	437964	475581	467998	481750	443939	468901	477621	453294	489578	490920	515363	452369	458001	504904	518914	489369	540557	467218	463335	500250	508307	530630	492131	497124	468135	474586	519226	521195	466296	476294	489578	484043	570021	554558	503101	530593	495134	529362	562290	500131	507083	507222	484089	495256	429190	428408	489578	485072
1-methyladenosine	31897	31423	28808	28511	30477	28219	33184	30456	28227	24061	27129	26765	21494	30671	31313	25560	36721	31061	30438	38584	38367	36157	28734	30995	32942	28953	31897	29887	28380	26556	32654	27054	26381	31249	28242	26437	33096	35713	27009	32163	34608	32706	30249	31094	24311	37050	29055	28797	31897	30916	39039	28040	36773	39438	43553	34793	35535	39763	31547	42632	25311	27050	28259	30338	31897	32365
1-methylhistamine	1343	1355	4267	4138	3146	3211	852	1515	1552	1240	1435	1516	1082	2244	1845	1040	1034	648	1909	1462	1065	1394	1611	1263	950	815	1343	1463	1865	2199	2143	1436	1133	1570	1558	930	1098	2251	1062	1484	1723	1635	3124	1172	931	2083	1628	1886	1343	1411	1725	651	1352	1179	1782	767	972	1079	830	1505	2762	2927	3641	3521	1343	1247
1-methylnicotinamide	660705	644948	231645	225642	260394	271468	613111	753498	693964	666212	680989	671901	380178	733967	783723	541711	745744	455862	638466	726555	817574	944251	728771	690690	812916	686302	660705	663630	633291	723855	719089	556842	613939	659654	542208	542649	757650	718894	586464	580924	697006	823640	572976	589154	581582	793042	553081	615810	660705	684327	659095	341777	642804	762451	796592	746373	732987	659484	835165	828284	205468	208315	263707	265366	660705	656790
21-deoxycortisol	65978	66088	119678	133847	155443	160736	15765	55116	58440	28606	168879	54126	38750	43486	49036	88043	106565	80927	43788	36847	64794	67276	40363	59055	61646	70951	65978	75735	83138	58605	31310	59426	112617	147937	60646	225494	64461	51036	73331	83306	136057	68288	89834	43348	51009	92316	107583	76136	65978	60588	34779	26654	121271	73803	94439	52065	36159	57796	95482	36681	85055	102007	229493	213244	65978	57282
2-aminoisobutyrate	4196020	4244765	2933102	2943667	2624527	2485521	3105841	3114581	2740859	2744089	2565651	2302707	2589414	2790469	2251875	2107166	7024945	4801269	5422768	7804881	7704512	3189412	2365819	2196775	5417108	2551532	4196020	3974665	2906898	1984974	3530843	2780204	2372175	3881340	4371455	2443244	3556554	3775704	2529161	2735859	2630782	2882648	3189737	3594570	2069539	4780309	2528735	2830178	4196020	4131250	8423985	4639294	7590171	8080186	6766992	9346716	6103165	9115114	6306809	9332545	2316152	2298564	2819440	2974561	4196020	4233391
2'-deoxyadenosine	275155	288113	322766	313005	377890	357237	216804	153308	185545	206773	316669	200128	167020	239837	350994	258922	226393	222387	238541	214699	451837	376866	329469	314526	319577	289851	275155	242220	352621	281585	445160	291684	152803	105628	105625	114002	16385	278375	153492	199131	308211	338632	278814	285980	218110	428095	317582	292689	275155	287652	364104	235180	313277	409849	332140	260284	364408	374492	233494	300872	329059	356700	345347	337929	275155	310278
2'-deoxycytidine	684724	688261	890189	871427	866948	840348	820005	779715	772144	754731	724063	694739	543880	798391	804664	625447	649459	503298	484148	614093	753908	659770	653379	552276	621147	555001	684724	653931	728125	774069	847232	701501	667974	669621	555554	552713	598040	665503	683794	676125	773605	793997	749002	719852	660118	922071	780967	795483	684724	705326	688977	574763	652939	678916	813269	604078	674244	763555	685167	749896	750857	748359	1003039	993980	684724	692530
3-methylhistidine	119183	113872	200247	201789	211586	208596	153720	185200	156601	184110	161694	152090	104955	151497	173338	119650	94913	79402	79031	95846	128350	100614	87838	78305	86705	76757	119183	121185	175171	162428	220531	137199	134141	88500	71071	80372	82434	90279	124131	149698	137615	152467	139237	140689	120233	169102	139778	164739	119183	118802	110488	69666	109903	98710	99905	76061	88450	105033	94485	122288	160086	160903	257577	261286	119183	119525
4-guanidinobutanoate	12372	11679	16107	15766	18355	18109	10519	9643	18994	12786	23384	20549	3165	7980	15620	11535	16496	14009	8892	18701	24674	20294	28053	28171	20552	16586	12372	11895	8892	10247	4887	10190	10790	19668	12965	14112	10625	15578	4725	8700	13879	11510	7852	8122	8336	13725	10237	9153	12372	12804	13160	9009	8853	16400	18779	11690	20176	10297	13710	15763	12258	11245	22366	22642	12372	12094
4-pyridoxate	10443	10181	37264	37817	64154	63557	14466	9402	10127	6504	6655	7605	4680	8422	11595	6942	13219	8552	9933	12510	12032	20333	13525	25563	14205	10687	10443	10276	6453	6922	9342	8869	5474	9189	12087	15297	9168	18998	6863	5176	10650	9437	5820	6091	6836	8630	8324	7698	10443	10364	15092	7956	13899	13609	11450	11076	17458	9372	17776	14664	30212	29364	86267	85258	10443	10558
5-hydroxytryptophol	28504	30847	45657	46688	36123	36384	45176	30908	29830	27018	57715	25810	31923	50845	55146	38509	41467	42880	32480	59199	61766	35558	40234	62303	54513	29589	28504	30254	58140	24097	32857	44420	37707	34037	36654	34026	42729	51795	24262	69655	47834	47862	37925	50827	33905	84587	40072	36562	28504	32714	71064	51463	36047	46353	56146	51123	44724	50466	20889	61208	24535	27348	46305	52139	28504	29088
5-methylcytidine	192854	192836	254996	252223	245594	245653	219535	199797	196551	209634	192377	192568	139845	219098	217321	187659	200226	171779	157355	199991	211060	203206	179651	205412	193551	169587	192854	195142	223308	205132	231107	192166	187304	186251	161691	180620	197075	207876	185883	179119	201628	219402	214405	186906	163923	230289	214024	205944	192854	200415	194625	155811	196873	202732	220795	177651	202955	214080	210353	228683	226036	226170	306723	303896	192854	206377
5-methylcytosine	108641	108302	89842	88365	93641	94531	72806	100908	97779	109700	99921	92375	28048	69556	92970	61900	165686	102726	122223	161380	252318	189249	181329	156750	142370	138772	108641	110701	137974	95457	92361	76713	67297	134848	111546	120399	145965	189433	54777	52187	76641	69605	69218	44880	52623	86258	74230	54499	108641	105271	144641	93964	116273	164231	158056	100295	126134	184498	138412	187019	72231	70344	124189	119144	108641	110130
7-methylguanine	14481	13255	15677	15534	22432	20973	14259	15720	14538	12556	12470	13135	8585	13685	16216	10335	18483	11523	12519	16475	23722	16654	14632	14887	14458	13141	14481	13959	13281	13004	17638	12481	12030	14325	11732	12807	14391	15542	11141	12087	14092	13884	11783	11681	8843	16172	13783	13056	14481	14020	16239	10019	17085	20247	19561	11930	14955	21000	17627	21476	13220	13696	28991	26595	14481	15186
acetylcholine	408102	420605	701868	696556	139983	139311	201125	233349	344524	178021	267974	526054	108243	484436	415749	141349	774914	322728	369206	730894	477759	387458	360726	651624	299532	180914	408102	405289	653641	316616	387516	287793	346310	344314	514101	174161	310856	377813	256417	532374	433189	593699	362530	256875	202112	730934	692226	466738	408102	403381	663118	139201	409161	529364	1114857	435746	385507	749761	362178	646534	161821	162420	343869	353576	408102	408522
acisoga	6263	5913	16416	16085	19562	19405	7274	4679	4874	4374	4328	5083	3632	5585	7732	4467	7833	5873	5933	7717	13501	6314	6061	5672	7462	5609	6263	6467	5438	4937	8063	5088	5077	7744	6881	5795	6115	7680	4032	4603	5990	5067	4547	4023	3930	8077	5304	5518	6263	6230	8833	5911	7354	10439	11203	6340	7144	10195	8517	10694	15082	15319	25409	26477	6263	6701
adenosine	1814596	1781591	2195767	2223245	2593378	2583720	1756459	2092506	1189199	1632001	2942176	1219906	2689039	1497309	1595553	1887284	1897367	1571937	1744699	1439304	4874110	2534511	1546330	1587716	1414786	1026244	1814596	1812328	1371039	5975327	1792200	1428049	1388628	1566565	1360170	1714219	1729571	4058746	1585132	1504193	1035984	1236410	1029150	1130179	960735	1628596	923648	1244389	1814596	1800462	868968	920210	1823070	4920664	1378296	1353230	1856278	1006747	3025225	3026346	2219983	2211691	2601948	2602968	1814596	1833916
ADMA	6304117	5833304	9289146	9042497	10252766	10435165	6533345	6213906	6194093	6042124	6205603	6176438	4162471	6590695	8539287	5725427	8515532	6381500	5986745	7700675	9715772	8843035	7660488	7413209	6621387	5927569	6304117	6943132	7584892	8649044	8674477	5388147	4942555	6416143	5158198	5506188	6712546	10895801	4663880	5168552	6612144	6779745	5779700	5310779	4059060	7437171	6050486	6497881	6304117	6228795	7264711	4882742	6621884	8734278	7711067	5436863	6876936	7625940	6965503	10039890	8096404	8029288	13970856	14574032	6304117	6975603
ala-ala	4517	6377	7067	7242	6882	7614	2674	3736	4032	2623	3016	3260	2773	4607	4266	4072	2753	3202	3136	3722	2869	3062	5268	4888	5977	5585	4517	4553	7211	7036	5373	6344	3125	2809	2493	2365	2545	2161	3171	2648	4425	4764	4922	5422	4836	4901	5018	4860	4517	4760	6923	8458	5621	6549	6132	7322	8601	6403	5522	5587	6183	6452	6224	5789	4517	4757
alanine	578948	579518	583099	596647	672194	682398	751440	652928	660164	600934	614193	645317	433840	573808	647874	462129	572541	469155	511961	590063	784259	736409	701223	659797	480727	534992	578948	566528	662831	615330	636483	518187	479745	526867	416405	609647	588887	696442	477002	508513	615103	589432	587296	548095	485057	663911	566759	571576	578948	573688	714121	474817	527319	653921	631635	531685	533971	549832	534852	570972	530496	533586	753634	743487	578948	573248
allantoin	103159	101926	148263	152509	291455	285457	91321	128217	110415	89970	121523	99560	67197	96630	113314	87457	102236	79199	84262	93043	151045	122149	101735	91329	104141	89996	103159	101871	99688	116002	119583	88199	81994	113870	85319	105313	110142	106611	79367	79326	109846	112105	82574	89757	73699	111442	114405	97623	103159	102842	103648	75159	118247	120568	124672	80702	100331	121201	114224	129090	125998	126444	377031	382016	103159	102733
alpha-glycerophosphocholine	40992032	41414885	45778881	46880328	26615342	26648489	39945482	45358534	40236182	40934487	33998192	40227938	17336946	42930069	48167438	36791071	44932164	40106562	40049789	47035967	45848459	47189558	39953861	48139820	38924744	37411852	40992032	40448936	47041774	37696916	51894022	39611535	34063887	46175363	38475056	38673409	42842967	39230760	32138975	34700638	47873528	43025828	44745326	40766738	32306973	47377535	41948876	41240418	40992032	41277261	43482199	27986267	48274626	36550848	46030008	41579176	41766981	49416365	45135493	50135252	39198247	39360045	30119236	29822128	40992032	40226278
anserine	24883	25987	62439	62898	275407	280459	29212	33892	40449	47189	60289	61268	26079	29301	27539	39344	20507	10149	13205	13913	13235	41008	12502	13732	17820	15615	24883	22875	18743	27120	53474	23971	26958	19187	7452	38447	9976	34864	18526	28830	26338	21261	19420	12686	8700	14822	28325	26346	24883	26756	17463	8768	72140	9558	13617	13385	14419	32422	14814	15370	56870	58669	237515	247549	24883	24487
arachidoyl ethanolamide	7457	7830	8833	5710	14361	12403	11516	8911	10643	9321	12263	11409	12661	13610	9733	12644	6902	9849	1024	10109	13069	10831	nan	14320	2383	1151	7457	7425	15029	1789	5562	10008	13820	14590	12524	8358	2961	10351	nan	19309	17478	9582	7370	5182	7854	7395	6606	10606	7457	6202	7234	9779	2190	5792	8819	2981	9551	5689	13051	6745	10326	10485	11785	12726	7457	9823
arginine	3629850	3679334	4780230	4760733	4280636	4285844	3824178	5247301	4126979	3719558	3819891	4310748	2295459	4734024	5751086	3579609	4457456	3275429	2908774	2753034	4711944	3805949	5142372	4149940	4354725	3119603	3629850	3749839	4396089	4643860	3410463	2822774	3167822	3859736	2748174	3713523	4667207	5084561	2878633	2592054	4538506	4347532	2793004	2724439	2664804	5066600	4567247	4194890	3629850	3677234	3678690	3293356	2906774	4410819	4787780	2615616	3541787	4659064	3940083	4619755	2897070	2922393	5444820	5484678	3629850	3724653
asparagine	153333	152787	191070	187752	211902	215114	180953	178462	165843	163408	170309	171046	115660	166515	186131	135649	162805	137632	133886	156256	178687	181846	166013	173550	137638	137602	153333	153287	172108	176253	178396	143351	143465	142650	121922	140294	156907	186945	129432	136012	163978	162702	150447	151092	134707	172084	145720	146221	153333	155109	162043	128641	161273	182365	159774	130625	156369	160147	144332	187075	167274	169280	242453	238947	153333	151770
aspartate	592656	594562	697395	685643	434064	430854	710017	749890	604843	613567	540278	439297	460486	717889	742704	512889	651522	594404	525525	589815	789369	657047	621844	557250	556941	509947	592656	598193	730695	631485	751481	719696	648940	592529	512912	489361	586942	631359	638969	628058	604106	694784	606138	572827	510039	764498	565972	619075	592656	594660	558923	497683	582156	623321	599851	486973	549267	546749	497849	665506	641426	641593	432316	429574	592656	588294
beta-alanine	23711319	25171266	24558317	24551131	27675076	27838898	31021649	28380642	25634405	25700618	25298447	25807060	17813689	25559410	27542888	19526759	22974473	19261771	19132920	22619534	29471585	26513129	25741185	22735471	20030158	19042380	23711319	23322439	27905536	26560129	28396494	21815684	21567170	22117953	17670640	22784491	23544721	27147076	21916944	23159415	27817772	25927744	24616224	24622632	21531100	30103182	24168072	25965501	23711319	23369020	26156793	19945578	22899235	26730381	27934921	23005198	23517633	23772464	21547086	27249988	20100970	21359969	28861040	31061465	23711319	23718245
beta-guanidinopropionate	30505	30190	35860	37485	35582	34936	27731	22319	25357	24315	28957	28304	14673	30894	28958	25123	31132	25544	25012	39964	38594	35473	28279	33482	30615	23486	30505	30530	32897	25504	26432	25742	21450	36642	32695	28469	35546	43028	19849	26381	28911	26785	24257	23780	22963	33188	23278	22650	30505	30260	37911	24336	37516	37281	47049	40076	37794	37030	37997	62079	28023	26985	44608	45419	30505	29887
betaine	33984600	34103750	34825305	34735023	35117498	35370258	36407250	31222667	34933935	29153604	32359186	31043677	22986449	31562977	35664434	29233323	39265535	31959404	34023711	35324768	39160862	43719468	41237740	37392419	31088229	34197429	33984600	33791898	28920817	33027398	34586946	28467382	31037778	35135929	29706742	32062997	35765981	39132837	27309466	30279951	37657692	33585878	34152494	31903904	31095936	40011993	32397926	35096465	33984600	33633258	33289374	32670730	32943781	36642261	38924095	27756819	34440847	37699339	36524513	34631754	32444623	32477843	39300922	39183607	33984600	33987389
biliverdin	1153996	1217649	1474966	1507342	1752454	1701917	1863634	1532885	1523811	1098958	1150118	1134663	953113	1433965	1309198	982526	1096587	1123133	1097827	1112441	1597293	1447394	1037081	1511781	1038032	820250	1153996	1221991	1424662	1128412	1221305	1141557	1045046	968282	1084250	950000	773891	1593867	940101	1166238	1179937	1381854	1209853	1029890	1062080	1217718	980312	1030516	1153996	1148896	974684	803260	1353502	1519498	1274118	986027	1294263	1016802	1557224	1366227	1301622	1296363	1890271	1908740	1153996	1149300
biopterin	65752	64861	70378	68627	66920	67036	75014	56817	50909	57122	68181	55763	35371	88450	78707	59697	104659	76597	73804	96703	68555	94052	75852	91062	75427	62899	65752	66279	68194	64267	67897	59085	70164	67204	53972	55298	69581	86926	45930	52719	65439	79207	52836	56797	54389	87868	65678	66036	65752	65561	72184	55059	62500	62807	55826	48104	61194	72168	62535	72324	55541	57915	75734	73495	65752	66216
butyrobetaine	1462828	1506482	1829377	1821009	2036610	2045573	1521064	1384556	1370914	1369493	1456622	1574275	942123	1523897	1723378	1366472	1690368	1379386	1497700	1781579	1629560	1858022	1694201	1744035	1610732	1414331	1462828	1472906	1495728	1626495	1595216	1236636	1299643	1522458	1183450	1276122	1421751	1639697	1156766	1179686	1599613	1474196	1287259	1331223	1130677	1464793	1461220	1394745	1462828	1423627	1659250	1113371	1528917	1494415	1791502	1359386	1600951	1589203	1583551	1823772	1583676	1589613	2236056	2204246	1462828	1458838
carnitine	75112478	75119890	90254003	91054347	84592863	83955254	87042816	79022967	76127829	80766354	71761590	55747863	62306807	88508818	93039900	68889606	78965284	72026350	69677020	72772469	89308026	85122918	75479819	77261211	71170959	66831100	75112478	75540356	88853353	81330764	88221354	77654004	69760660	74093524	61739531	67958867	75355221	80748193	75132149	69392948	74801990	85863481	82827654	75621372	69339567	89407410	75382465	79128317	75112478	74647648	63787413	64139090	67275455	76196703	75100671	62835945	64231157	78288099	65517059	79639606	84843134	85642734	87679154	87905860	75112478	74638841
C2 carnitine	90330865	90328401	104562715	104621219	130850243	129903683	114911953	89620021	81125821	84041870	99828482	105739789	65964122	87056620	104894443	103171659	88977630	78891027	75471694	86169151	92833506	92045342	94366604	99419413	83976567	72849660	90330865	92047963	92378909	93555737	109653771	85713473	96332671	70604296	73948069	82603993	83243177	84371909	79071915	96767359	113252551	95989359	97897957	98717579	97710981	110214056	100555595	108026076	90330865	89906002	93255587	75342427	90763699	87782069	92668507	75239775	96981412	91500460	89814872	98697976	93971683	94120709	138131577	137512762	90330865	89785454
C3 carnitine	1888439	1938811	1413575	1435488	2339680	2329927	1487894	1966440	1839005	1345437	1494009	2727669	1207597	1862188	2002090	1959590	2221017	1914305	1618541	1766942	1538026	2319740	1782870	1899814	2259113	1422175	1888439	1868068	1966841	1408849	1966707	1719753	1721130	1539710	1498670	1753684	1797012	982607	1328287	2012836	4044335	2032973	1805826	1993766	1922101	2332292	1990312	1885216	1888439	1909582	2369974	959603	2644689	1415714	2545172	1752157	3037836	2128765	2210227	2706447	1348887	1323242	2269970	2270093	1888439	1858419
C3-DC carnitine	3232	3384	4388	4669	4526	4821	3656	3010	4164	3015	2719	2784	2028	3551	4288	2895	2667	2780	2400	3032	3217	2514	3131	3275	2588	1772	3232	2692	4101	2844	4099	2924	2532	5996	2278	2382	2840	3051	3284	3654	3929	4332	3723	3623	2964	5712	3595	4587	3232	3604	3801	2632	3643	4108	4378	2625	3251	2805	2591	3771	3080	3135	4659	4039	3232	2948
C3-DC-CH3 carnitine	24370	24588	64601	64633	54007	54002	43564	28408	41937	25971	25418	25486	9672	27920	31631	19889	17149	17566	21845	37758	32916	25531	25105	29414	20967	15324	24370	24573	29490	18208	25874	17537	20063	27125	24459	20018	28430	47303	25672	17804	19981	23761	23115	18625	15641	36675	18867	37013	24370	24764	18449	29823	20241	22704	43268	12213	16403	19807	17061	33794	56232	59097	58979	60678	24370	24390
C4 carnitine	4545541	4571695	6054934	5957067	10176972	10176298	5127625	4624734	4303645	4584226	4248310	4175385	2762279	5466280	5678002	4772078	4827466	4117452	3787749	4008196	5705035	6118451	4559814	5065381	4554443	3705341	4545541	4554792	5375466	5109163	5896396	4961422	4309131	3976748	3321071	4394045	4440077	4265756	3964278	4445207	6774122	5669401	5449612	5246774	4842675	6270735	4572297	5374882	4545541	4494297	4018325	2885581	3743617	4220671	4543491	3267214	4217178	4487078	4163534	4503868	5252729	5301356	11539895	11602344	4545541	4482543
C4-OH carnitine	807860	815050	1334693	1338276	1419027	1445522	1271165	799216	576806	537223	537632	562020	717047	815088	706114	610324	982346	851507	992062	1528442	1119001	575014	481640	497579	986155	487904	807860	826178	653409	513461	1304393	754091	719147	507082	630868	452534	661523	666379	805003	961731	764693	771636	682564	1025826	606357	1128959	658432	876479	807860	786456	1090508	783845	1420187	1059795	1062493	834454	958511	1338498	986222	1193518	962190	977862	1711186	1657572	807860	828203
C5 carnitine	1113300	1104786	2094529	2083756	4454470	4406861	1162967	1026938	1269352	1169454	1326650	1376569	583639	1378673	1200999	1456978	1344040	790321	875537	1162704	1311310	1304007	1018259	1555900	1202779	803018	1113300	1116519	1295183	1184368	1049164	1067358	952744	904069	923298	882474	1090602	963572	786021	916452	1563668	1377034	1419890	1016613	1004900	1347326	1116935	1136270	1113300	1099275	926744	596669	1107827	1174432	1173857	1047804	999708	1223206	1140856	1463898	1826197	1825906	5415776	5527110	1113300	1127050
C5:1 carnitine	33251	34513	56240	55588	71920	73502	44547	34585	38986	34751	42675	37238	18822	42550	51512	51962	30950	25765	34352	36206	45325	47894	37680	48990	37430	26293	33251	34620	42638	34425	31489	35402	31739	27208	26276	27506	30566	40037	28877	25698	38230	43932	43333	35420	31823	47713	37023	36596	33251	34093	30989	18559	24790	30056	31353	25079	35239	31916	29072	37883	48899	52559	76926	75397	33251	33230
C6 carnitine	182415	183252	124261	125865	148014	140011	166306	138647	153094	137029	220565	154807	224854	214591	194645	253364	141428	200745	162256	246996	181864	109217	123444	164287	191161	119640	182415	185154	213702	90648	178899	219167	238005	156667	166682	137676	170138	114063	219026	441921	236202	214825	237706	309878	329330	443951	159991	236515	182415	184888	206695	274495	136024	131350	152722	159865	170341	208444	117335	165555	120610	120022	202386	205464	182415	182676
C7 carnitine	28103	31604	39297	38410	50635	48891	31098	25940	18604	24367	28779	24362	14666	26503	33284	25220	29185	20072	18392	21752	37193	39833	33469	40449	22995	24018	28103	30089	48293	31853	31413	31707	26127	30210	25378	28635	31217	31007	30263	28296	37471	37317	36710	27185	22740	31145	27759	28017	28103	28310	23782	20124	20384	31017	35486	27639	28023	30956	29784	29893	33364	31625	57372	57743	28103	27470
C8 carnitine	97288	92561	115213	112695	154033	154975	119073	102099	84417	97859	101589	85941	56217	125399	136767	112945	83830	81825	65168	111988	122291	84352	85691	90376	92640	53928	97288	96387	120015	64330	132837	102672	98772	81917	67260	64574	81600	68346	90805	135194	136657	127000	138431	133565	114676	173195	95858	124524	97288	98936	77705	83583	88953	83033	91703	76167	89585	116079	78462	109990	88766	96551	192021	185510	97288	96413
C10 carnitine	99827	94079	113265	111248	162751	156587	142481	109825	93134	106045	95427	91240	59674	126953	145005	122837	85081	85039	71943	106893	109364	88621	84013	89771	89344	54769	99827	97306	121524	78135	168108	107628	103646	79111	62024	64415	87679	64447	106498	139107	144772	132732	146288	135716	125621	171255	102239	145755	99827	104159	79788	93002	90989	76309	87694	68460	92315	120284	82866	108279	91910	88462	191496	188673	99827	99728
C12 carnitine	292152	287223	242461	239819	283317	290644	443358	325713	246396	289812	270134	268290	189941	358806	420553	371878	263098	260202	231476	296779	337927	270456	259305	264718	272496	171345	292152	279894	352068	218442	492849	320432	304396	212903	189085	197643	250097	199395	320500	398009	431261	389309	411756	385389	368980	522460	305712	425012	292152	297240	236292	279363	288361	224757	256171	201952	284451	346011	222690	300916	189278	188659	328782	323601	292152	281740
C12:1 carnitine	58676	61497	57197	54450	80440	78678	99764	70698	59462	58263	61755	80074	30395	66579	75420	66850	48016	41874	44306	63605	64877	46754	53224	55740	54575	36396	58676	57736	66479	41564	93786	52290	55275	44103	37710	39561	53222	36049	56533	76897	81440	66710	80327	76936	73195	100876	57164	82993	58676	54435	50069	58794	56581	46813	60340	48452	61116	78884	55552	73574	41276	43282	96380	93849	58676	61691
C14 carnitine	680816	677675	592330	582334	763159	756946	980729	738169	545675	646096	664469	730783	436942	748016	922573	877971	613098	546223	511984	728587	772326	537934	579283	585638	633148	398360	680816	680576	780961	530063	1135460	703014	702495	512834	474261	446397	572331	518222	689684	965789	1001988	822521	976675	885296	870037	1238152	725858	1028209	680816	700024	569216	648963	656708	541338	629881	476970	672166	790459	577919	749018	470326	452185	890927	926159	680816	668279
C14:1 carnitine	355988	360855	355976	347603	498773	498767	535096	395690	306125	340255	336632	346370	215703	392350	506620	429071	321209	290133	261865	371582	396828	292295	311512	312929	345382	220486	355988	356512	391593	242083	561519	344788	354633	279747	237269	243543	307895	233059	349751	479450	492175	415811	498467	468748	467178	608422	361117	513954	355988	371048	287386	345778	348826	287515	340228	272921	361738	474347	333009	430583	288811	286725	584432	599557	355988	354441
C14:2 carnitine	128528	124792	142548	142322	194218	194921	212799	143307	122088	129577	119869	135389	76948	161736	182982	157523	108627	92321	87095	138211	135174	103425	104559	107358	112941	71654	128528	125727	152588	97078	212612	129898	127034	95167	82748	81088	102087	82634	134063	172050	183352	163054	177796	171118	162904	215527	133089	175454	128528	127595	107893	108891	128660	102414	112594	90771	120393	144693	106755	139339	118101	111853	222299	228825	128528	122584
C16 carnitine	1061132	1040660	931975	896537	961916	967670	1211588	1080171	859228	1108656	1145966	1327275	895929	1075137	1126376	1431097	839715	851000	768607	952550	1014028	706382	833191	764528	948905	675938	1061132	1059824	1070276	865210	1409981	1153653	1241049	911587	892422	716422	888447	744145	1145206	1490440	1472314	1125873	1456304	1263085	1315481	1661976	1216007	1579525	1061132	1062172	962900	1033021	1106854	826651	1055745	800702	1076631	1167769	997963	1070590	762733	750249	1093687	1098055	1061132	1061517
C16-OH carnitine	137931	133231	80050	81010	105970	103940	236326	167110	134022	123676	156416	181683	93400	108272	139249	137117	117331	97983	98989	131388	194018	117176	129922	122664	118697	87519	137931	137135	137091	107122	198892	109217	118812	96882	97628	99336	121259	142990	112325	157873	184963	135404	151758	174510	155247	221532	144662	182558	137931	138785	155235	147650	151303	148082	158205	112720	157795	165665	121018	165386	65762	65377	128569	132279	137931	136580
C18 carnitine	1051823	1055843	1221071	1225643	1047507	1039630	1240312	1324747	1009749	1161114	1125718	1074879	852313	1001436	1054410	1161886	922403	940847	839538	936028	1268221	924390	902114	790827	897546	756943	1051823	1078988	1068197	900693	1425709	1060324	1062079	939469	890920	874256	996293	1039527	1061345	1237958	1208910	1095611	1255702	1321006	1187342	1307732	1184452	1369857	1051823	1069276	1023527	1192667	1057968	876487	936387	843355	1068004	1208661	1052643	1108642	1085304	1062779	1078961	1085228	1051823	1010658
C18:1 carnitine	1185811	1181774	1210931	1218873	1481716	1493804	1446061	1313545	1050378	1248948	1253224	1332206	909724	1152293	1216233	1505875	1012770	1031890	850056	1109275	1181119	826982	988285	856741	1078763	795849	1185811	1228757	1207614	903794	1539056	1141114	1266012	1080469	994806	857881	1052970	884387	1182404	1611240	1559766	1216451	1615014	1505304	1557335	1878358	1389956	1772057	1185811	1171011	1065587	1280571	1296491	940324	1183226	950088	1249824	1581379	1233875	1263758	1066031	1037106	1668102	1670238	1185811	1192514
C18:1-OH carnitine	122522	127330	93873	89815	129336	127940	207833	153280	119476	115478	127587	137589	93010	107258	126131	122298	104646	98022	86261	114893	173100	98085	103331	105341	104017	77380	122522	123476	124522	89283	176555	105159	110126	89385	86869	85557	103279	130250	101514	141095	151806	118193	153176	157022	143703	225107	126839	167955	122522	115074	115186	118508	120226	128302	127054	100344	124441	171140	118144	138175	77843	75135	156133	157847	122522	123512
C18:2 carnitine	253306	262345	323087	317199	419832	422115	349007	285044	231901	269468	311062	466107	188170	255802	235082	324005	175367	163369	137668	204137	223660	130515	203451	146341	199189	129612	253306	255016	250411	204929	329811	219602	297001	224622	198112	151166	195084	140386	247145	416970	386584	257538	341504	308851	353828	367862	295826	420640	253306	249814	230563	239429	274833	188499	246048	185359	294945	274661	269975	247480	268821	249624	441251	433257	253306	242518
C20 carnitine	123143	120528	116043	115992	92756	101197	167281	162529	122764	136968	120325	98355	95971	135316	134960	133482	114025	99326	81426	99058	157090	101617	106660	109200	94261	82648	123143	126862	146068	111139	195423	126684	118021	107002	87364	106283	111280	125989	127417	148954	159371	130948	153388	154449	133055	185361	127962	153475	123143	118809	107158	124515	116902	112032	116489	92526	118317	152224	113847	136425	93844	91368	95819	89078	123143	121720
C20:4 carnitine	633889	622848	582870	562956	712850	711359	1305978	754673	590756	677741	550628	627814	529864	813685	736923	824939	467068	413625	460069	776706	536572	343941	363598	425046	558505	342386	633889	631512	723751	416157	1014708	670960	593351	389629	455447	344180	428447	394154	853313	885649	859248	776513	855278	922713	813886	939169	629720	893736	633889	631081	573713	549066	654444	435046	524368	571036	577613	586153	467728	558610	497806	507053	706739	720629	633889	619606
C26 carnitine	55931	56672	11323	12647	12652	12612	66959	62639	44607	60476	67093	44288	35903	59036	62034	61946	59843	51722	40181	51659	70863	61420	59501	65384	56733	42051	55931	59508	81308	56981	77616	65996	62116	46805	36211	46483	50424	64281	49640	56217	60748	62496	66030	68779	69560	106789	54539	73475	55931	54194	51978	53066	46851	43994	53555	35638	47278	65191	44925	53970	10386	11071	12663	13302	55931	56784
cadaverine	422	427	89	96	394	359	629	1566	974	859	1127	834	605	723	911	566	126	134	152	21	174	193	303	39	nan	105	422	470	1362	943	895	782	340	32	87	59	20	19	504	485	1184	849	908	732	596	422	943	486	422	436	116	102	50	319	59	614	115	334	519	472	167	142	218	254	422	594
carnosine	6490	6719	11691	11683	24802	24548	6222	5559	6924	8675	9200	7882	4680	6956	9344	7671	4488	4011	4725	10884	6085	8374	5902	5874	5693	3691	6490	6916	7395	6210	9077	5102	6919	5911	3314	7039	3549	9702	4763	8774	7611	6933	5397	4011	3030	10732	6701	9580	6490	6420	7944	3540	8985	7068	8063	4025	5082	8620	4251	10751	9710	10208	23649	24885	6490	6906
C-glycosyltryptophan	44328	44276	47502	48928	48365	49676	51357	53274	43972	43545	44355	45080	28189	43458	50879	36391	45957	38432	41061	45121	61762	51221	46093	44257	40575	37971	44328	44412	49647	42302	46780	39289	37874	43060	38470	39084	45298	49880	33177	40246	45161	42591	39283	39813	34421	49975	40286	38443	44328	42947	44365	34834	43514	48220	49907	40861	44678	51987	50046	57564	43890	42406	54158	57477	44328	42877
choline	9679526	9661543	19938099	19913877	23724173	23566434	14953158	8264560	10824026	13928236	15244036	11424989	10528157	8862826	7597511	10246602	8056209	6837639	8037785	9081015	12871641	8764453	7699229	8061115	9031848	7941274	9679526	9612193	7765498	15164499	8787059	6535867	7225518	8528688	9584046	7459069	9005441	18027974	8468525	6850169	7569133	7722159	7581502	6994126	6601219	10316869	7400920	8476835	9679526	9661063	8665935	12171942	12501928	15225245	12857394	8578228	9696321	8355203	9129271	11165532	17200252	17285189	25011001	24955775	9679526	9517128
citrulline	221951	225137	205481	203621	220741	220789	187203	199723	211674	189618	274599	205858	122210	194199	217686	159341	297895	203236	201277	249407	284670	273736	260400	292722	249439	225862	221951	225642	188450	211432	228712	175872	176063	250221	202931	236516	263773	251729	159383	184452	220638	222909	177992	171627	159791	239877	198177	201435	221951	227353	297929	189833	277060	302480	299724	199609	303476	306291	282143	360019	180062	174039	246229	248020	221951	218201
creatine	6367755	6381492	8264295	8237732	7066267	7054104	4681611	5824900	6511975	4791117	5624346	5744081	3914927	6558097	6366690	5158924	6531207	5675808	6331390	7999675	7004710	6738486	7260198	7197623	5481072	5544003	6367755	6363063	7135731	6415956	6683037	5718568	5964124	6854850	6613784	5742327	7344746	7339017	5514190	6493545	6462198	6644872	6170637	5441005	5179357	6552917	5685044	6612530	6367755	6432503	6645074	4253212	6986315	7766816	8031715	6770296	6606973	7329041	7541406	9672134	7139479	7091209	7687142	7733417	6367755	6328406
creatinine	1009151	1023443	1365662	1344462	1818129	1849051	913807	1233947	1198899	1154476	1048167	996474	875366	1065178	1093561	784778	989639	826426	848824	836713	1159698	1053134	1018358	860117	964221	970798	1009151	1015383	1108430	1177634	1195322	984496	932744	993606	865309	977165	1006771	991468	953303	925880	913970	981288	839100	854777	743180	1021824	1020983	1044309	1009151	984060	967194	792581	1010829	1069738	1079662	839321	947462	1237742	1181936	1301004	1280194	1288636	1945058	1860574	1009151	1031352
cyclohexylamine	142571	143883	78441	80589	137353	135830	100849	87858	58387	71887	118639	65874	85623	51459	52961	49282	90360	97504	133398	304467	44421	83842	221108	59931	94882	192690	142571	142808	51761	199793	185027	198551	54583	42962	58183	244017	842815	273678	279196	45215	58765	64187	67842	77765	205706	231062	96721	76258	142571	140522	241264	61975	110351	202636	77432	190857	175541	332192	98368	170225	162904	166652	75600	74742	142571	142032
cystine	24908	25321	48471	54888	81315	83021	18324	24420	33461	25880	56610	19063	23418	33590	33552	19278	31396	12582	22895	25669	46794	20289	27070	25090	28298	21235	24908	26210	31338	45067	21546	22479	16664	20560	19552	17096	27162	73179	11581	20052	27166	32984	15072	21509	13301	33695	19833	20160	24908	20777	37679	12114	23232	82078	28834	19076	26751	46615	20118	36794	19834	18989	109760	117720	24908	28180
cytidine	324997	310842	421318	420785	380332	378442	344811	258154	289577	256131	381907	354212	341193	375425	277866	250496	349074	228659	315840	388261	627454	390432	268798	299117	347446	266002	324997	345603	239338	342515	312687	207481	228704	275977	290752	272101	348408	816643	219624	259812	278194	276582	220590	268329	189911	357312	260522	293010	324997	336134	470258	229720	478731	572128	419169	386426	416519	376486	462826	457656	359974	370833	463892	456877	324997	340913
dimethylglycine	76466	75361	84855	84398	111859	108970	86852	71511	83624	73097	74975	69598	47866	78620	78205	66592	84113	60283	66471	87213	105520	77698	71330	77913	87174	65920	76466	78060	69677	79664	90040	65965	64353	74589	67838	58646	61102	78187	61429	68553	76300	78685	65959	76377	64181	90336	75118	81532	76466	77387	93307	56235	94076	94183	95183	81953	83759	106572	108759	114001	73149	72458	132950	134102	76466	74489
ectoine	30779	31470	83617	83326	111156	113787	31302	24425	19515	36230	30786	36883	14992	20544	36344	25469	25477	28467	15355	13723	23115	38803	48198	47623	19327	24392	30779	30824	10848	23877	23150	36402	32597	20561	16760	30863	20697	28568	24060	23410	37741	32549	30565	18170	30536	25887	31557	29134	30779	30059	41546	54607	30816	65619	64402	27401	64130	31508	50600	59632	83889	83152	120435	116293	30779	31967
GABA	2739452	2615006	2737678	2695813	2458373	2434080	3108648	2610371	2598429	2382840	2925675	2688381	2327781	2902885	2828335	2632848	3146019	2665572	2416193	3571916	3190268	2559002	2715058	2734692	2670876	2158811	2739452	2781903	2652681	2420387	2802174	2555038	2664809	2755387	2809894	2387407	2907985	2970961	2314903	2782413	3069547	2928135	2756558	2683195	2646500	3385408	2472758	2649417	2739452	2668910	3291254	2884038	2667413	3084399	3594905	2447943	2716644	3052729	2397367	3132608	2501522	2609208	2848460	2876381	2739452	2626916
glutamate	1225849	1237304	863554	879731	655748	654448	1131138	1091125	1139276	1041397	1230723	1179935	1237417	1221645	1038146	1242214	1169581	1354263	1267300	1159069	994063	1202718	1132755	1205489	1293538	1296823	1225849	1239453	1184833	1099990	1047909	1329919	1326201	1308578	1424716	1285106	1270648	1251239	1218090	1539862	1137127	1138594	1120306	1155984	1332536	1165851	1155023	1181639	1225849	1216313	1362413	1566570	1184287	1335111	1229441	1263216	1299102	1028726	1206315	1058227	913898	906425	597029	590979	1225849	1227662
glutamine	3845030	3904200	4825291	4794002	5878172	5838941	4928608	4603918	4065269	4175231	3751919	3734780	2792396	4357698	4304206	3757315	4297640	3474509	3174759	3804715	4380510	4006362	3666364	3672862	3575946	3246144	3845030	3873400	4142428	3738304	5110459	3854808	3544008	3648047	3106439	3298579	3814205	4201426	3643568	4084775	4459579	4627107	4136916	4237554	3412495	4727279	3800156	4121862	3845030	3901065	4255670	3224573	3742488	4340014	4317249	3385708	3802967	4283484	3466521	4485980	3843002	3872180	6315403	6384290	3845030	3810678
glutathione reduced	1925	1463	612	470	421	413	307	122	130	143	18095	157	4930	707	3665	3782	2386	2261	877	586167	319182	2900	2321	30757	88720	2281	1925	2201	13873	145	1483	4897	3473	2245	1935	891	4457	1043	1596	563232	5926	3648	4031	80747	2516	552671	1988	2466	1925	1506	786221	5287	2282	6315	4054	169175	2294	5391	1257	10479	167	1033	1069	875	1925	1123
glycine	733675	720238	888633	864675	961639	980452	860447	832057	748759	817136	737445	687169	542780	764833	876805	689077	642506	627401	577278	662478	981968	779518	758872	740984	691344	662485	733675	747198	851646	794142	914365	703622	677232	718736	612359	715914	767905	838497	660628	638788	774279	759839	766984	773206	691621	880688	736197	759542	733675	735642	751358	622809	753162	761323	753094	649343	770105	834436	738524	927211	823261	834329	1024190	1038317	733675	722198
glycocholate	64510	65044	22270	24640	11044	10419	68553	14677	134241	11433	46690	23434	73338	16251	54846	10855	112771	110698	70102	98208	32696	97442	149994	52497	96585	71495	64510	68565	594	485	4110	10449	6623	77434	77185	210701	32410	102033	2734	35530	8575	12492	3391	1735	43405	100951	16004	12689	64510	64335	32192	27447	275926	145771	261366	635	140464	86307	34389	196083	21287	20881	12867	13390	64510	65898
guanidinoacetate	18251	19645	19159	17744	21207	20978	19385	25870	26262	25664	24956	23649	14877	17541	21808	13403	20129	13734	12729	14104	21504	20287	23269	19678	16197	19096	18251	18107	18691	20528	22236	15445	16390	18633	13685	16301	15611	14771	16296	20594	21892	18526	18033	21071	19278	21887	16959	21510	18251	18098	18348	13606	17929	23063	21763	12539	18820	20035	17596	20698	15767	16123	24300	23613	18251	19074
guanosine	144995	145005	189643	193087	199652	193371	70089	65908	72955	81021	393272	87481	521288	142400	89171	141478	81486	62920	57115	59190	775392	96239	72871	53863	62425	89267	144995	145398	86699	469422	56030	64487	77754	60876	78477	75981	120638	911076	88412	132487	58844	70344	77471	60237	63486	115669	87183	97929	144995	143552	90302	64409	107567	537861	92423	152907	138739	117241	127943	100325	191480	191631	249905	242730	144995	151779
hippurate	20947	19440	38505	39278	56772	55241	15650	23972	21356	23403	18849	14232	14417	17578	34716	10022	19644	14611	12956	18104	45049	46390	33843	39728	53929	39036	20947	20933	19034	25392	16287	22450	17528	18333	17617	18019	19483	33560	10369	4313	3191	10218	12910	11828	11458	18278	35509	15871	20947	20513	14485	14289	7352	38294	17299	14324	29806	16059	23464	31762	29734	27698	61159	62147	20947	19915
histamine	2269444	2247134	7194791	7138893	5634398	5685300	1388066	1514178	2474195	1578118	1882132	2823959	1546830	3814475	2051701	1872279	2134094	861200	3090715	2938402	1554429	2057771	2302454	2080926	1599806	1178776	2269444	2269065	2573370	2967533	3313199	2326097	1624476	2810426	2707138	1578796	1871471	3475395	1677123	2672221	1859806	2538010	4344206	1686029	1265447	3651238	3056981	3305427	2269444	2274076	2962675	1228446	2381085	2379811	3394746	1304726	1679129	2442847	1385362	2827859	5301091	5254527	6407831	6377144	2269444	2270348
histidine	429527	433650	451220	448112	481497	481211	527104	577159	482876	520798	539813	498325	288582	447918	561614	408073	462489	361027	324432	434760	540232	526523	530140	442021	445858	421970	429527	435637	476385	517122	462285	385949	380867	421948	326363	408355	481455	518786	351866	345512	441842	455186	343305	408834	343273	463695	412045	424387	429527	430134	498420	356324	447870	496595	477170	363375	434307	481743	428715	501049	373448	372594	559644	559651	429527	435300
homoarginine	19349	19532	12106	12228	13262	13689	21031	30201	19878	22965	19077	21644	7343	12999	23678	9821	38608	19297	9906	9564	34525	16874	23847	22834	31068	17748	19349	19400	15516	18451	14136	10659	13561	18811	12118	15443	20380	14426	10972	10827	25180	18575	8920	13031	12631	18733	16884	14706	19349	19298	24030	18977	21083	48191	39986	26964	26343	41417	46509	38627	8119	8676	14298	15757	19349	18907
homocitrulline	2093	1624	6981	10083	8529	7815	363	1127	3045	nan	1085	2411	404	2612	3385	1259	854	2085	1843	3214	561	3042	1623	3829	3566	851	2093	1412	4691	1916	2401	2720	2183	2413	1120	402	1313	nan	682	300	1720	803	1290	1136	1045	344	1765	1319	2093	502	1180	195	1301	366	1120	1685	623	1490	3638	3003	6147	5150	10467	11018	2093	888
hydroxyproline	146085	144718	166588	162358	197887	196103	206129	185985	170445	182777	171379	165340	128661	185417	224336	145751	135458	116188	89816	113663	172819	133285	134378	131934	109181	98358	146085	145312	221619	213722	213167	150944	145991	126653	93225	106846	113947	130277	152775	168933	188739	178819	157314	164394	142115	183310	147460	176589	146085	145521	133380	98993	126197	147290	139603	103884	138844	138862	128721	162914	153354	153100	220401	217527	146085	145710
hypotaurine	125547	126205	146691	145694	161237	163947	97841	132556	130790	134102	140620	114672	72343	98842	131882	80470	134898	114090	143570	133554	209984	191338	209209	168744	112457	154893	125547	124929	118620	117995	96922	102297	86470	113236	107369	159763	144212	161660	68743	89671	108413	105180	108418	111882	88041	129870	85088	92481	125547	125269	128812	75247	145068	152934	142063	169568	157418	158875	141175	181905	125893	126973	178543	175581	125547	123101
imidazole propionate	49199	47465	60598	59535	60203	61053	83696	49402	55802	54875	51267	76655	33575	77939	50350	49708	28363	17491	30596	69574	27417	40374	33405	44914	28288	27962	49199	48285	97603	134936	70735	60651	57614	81545	21074	33771	17994	25351	46091	70994	46463	50328	56547	52508	46167	90414	43426	67276	49199	49384	19011	14842	47053	30204	41315	26573	35868	31022	45909	32540	59195	58577	66198	67264	49199	50078
imidazoleacetate	23927	24166	73048	71381	72739	73652	26776	23733	20134	22104	21698	30371	25395	24609	28303	47980	18016	14840	14338	26893	27666	22414	41595	21031	20226	21907	23927	24340	22119	28391	24942	20958	19621	21907	33002	21348	17400	55912	25043	17776	25787	23552	24035	17715	16067	25722	20333	22054	23927	25503	33967	16382	44130	50647	14521	15218	20966	19996	20892	18956	48210	48693	83253	83781	23927	23434
inosine	1259731	1257702	2234930	2299106	3222651	3335576	768551	330545	454638	873126	2637884	918760	3642867	914415	555306	1102563	767868	595304	880660	482088	3697834	859169	675479	453255	492362	1001956	1259731	1235130	847261	3279421	415392	545413	639075	653011	807836	1088460	1063445	5309309	980914	1104728	612482	683794	921592	690743	929473	1021218	566575	751682	1259731	1323835	689039	597513	711111	4354088	966069	953286	777440	677940	708109	785318	2113368	2114026	4881369	4885407	1259731	1251653
isoleucine	143967513	146305343	179647875	178750378	189563254	188629989	152710427	143098819	157480918	130378269	179181005	156673857	88052410	140581746	155315873	115399676	143572880	113335587	140106070	179624115	202993491	206210675	150800629	149448945	167236703	137063681	143967513	149988922	151466197	146258652	149477847	128012933	121821578	149991672	128671520	135626223	163227626	206184195	98316703	114480149	123691499	147091120	112677090	123448323	101508234	156864677	125981576	120745432	143967513	143100234	170981218	102874850	194956262	192673364	169527951	132449692	162222690	161575682	168029688	217222340	150162210	150559159	223798820	221040896	143967513	142093760
kynurenate	22844	22199	21865	23120	45617	44749	3251	141180	3768	37458	2687	5967	4464	5563	2892	5792	17894	2571	4718	15128	5489	21838	16247	79225	7701	3672	22844	22765	1698	25513	4640	211661	25441	2099	4454	102585	82	19164	697	4154	7010	4128	13241	31153	4591	1112	4816	6308	22844	21332	28585	1530	13972	10812	16036	14385	7615	3489	7832	7309	37023	39001	121622	116113	22844	24007
L-alpha-glutamyl-L-Lysine	12965	13580	12759	12871	16835	16391	15719	14893	12586	12374	13486	10125	9286	16421	16686	13607	15051	12247	10805	14708	15138	15262	13327	14006	14410	10886	12965	13827	12551	13548	16797	13022	11817	13555	9223	10969	12812	17771	10383	11551	12842	16813	10684	12238	9886	16824	14519	14345	12965	13097	19376	11566	15117	16933	13434	11985	14667	15291	15038	15920	10140	9660	17825	18449	12965	13389
leucine	233153297	231831530	297478289	296968715	312823348	311119159	248104035	229966879	246040330	210632268	291087770	246582476	141671998	228042823	258762938	192123318	245059635	183383961	225673395	273578364	320678703	335249885	244707652	248556924	265656452	214821684	233153297	233541887	247561407	243223199	241491576	209304006	194646644	226352354	202175830	218020767	261177228	328437189	171197120	182970773	209262970	242927495	188028414	203613410	173756863	255074528	208522677	190174716	233153297	235126497	288223457	178544551	298517943	318387823	272345098	230718021	259397610	264365949	271552989	335624645	254118713	257782845	370366364	376517063	233153297	237878818
linoleoyl ethanolamide	109084	113799	126932	133999	166402	169996	131563	141920	132013	142785	151857	163468	154999	213376	130983	144320	87792	117068	75933	117726	127403	118906	84509	126576	103641	89467	109084	115906	136802	85198	103375	112451	129314	147045	119827	99510	78314	132679	68257	200945	182892	137846	125424	103229	143703	149070	107929	124822	109084	111709	102490	148660	95157	108140	143143	99319	132625	108302	111732	96377	122044	121974	134613	133172	109084	104221
lysine	1234908	1240035	1480605	1486215	1705084	1709047	1214079	1498373	1452749	1490959	1385789	1356071	677038	1028802	1282707	849177	1321571	907193	853907	1317961	1677722	1457446	1319067	1108838	1331869	1081353	1234908	1236369	1330828	1523946	1451536	923195	974209	1355858	1009249	1028791	1285816	1435173	857746	940626	1101285	1213369	926777	1078455	807806	1295161	1086059	1177753	1234908	1228911	1686551	934964	1554255	1878380	1609414	1472782	1567681	1853200	1693230	2154661	1194129	1205316	2046041	2068813	1234908	1242956
methionine	284671	282853	419076	418017	511491	519758	331443	308050	341933	315759	370808	353776	222071	300195	335932	255357	263713	214324	229045	280644	354918	337820	296103	287276	260551	251738	284671	288843	330682	354764	294885	252993	257322	284882	224890	252262	293748	400323	225208	253955	276883	308117	253059	273823	235721	325500	252418	272181	284671	286758	286913	198978	314409	387750	297035	237641	289025	314829	304025	388837	373722	362166	621635	612404	284671	283355
methionine sulfoxide	12508	12757	30271	29501	34515	35438	13373	15692	16270	15754	18145	19314	6480	14044	16966	11371	11717	9584	9479	11898	13655	15781	16850	17233	11104	11267	12508	14478	17655	18496	14509	13463	12385	14113	9890	11849	14284	15201	11599	11185	15989	14825	13597	12960	12406	17353	13476	11598	12508	13563	11048	8637	10869	12262	13089	11279	11501	12768	11645	16457	25669	25089	35122	35435	12508	11986
methyl N-methylanthranilate	14117	13205	16999	16207	15488	17259	18722	17063	18543	15096	20083	16167	14616	17560	17655	15472	12279	14309	10566	17616	19923	19762	13887	19231	11044	11419	14117	14798	20301	8652	10841	16650	18716	18449	18640	17201	12415	20169	8466	19968	19925	19666	19747	15574	16381	22087	15196	12406	14117	15737	16237	16584	15684	15614	18113	13523	21103	19837	17218	14757	19575	18359	20571	21544	14117	12756
methylguanidine	714658	685093	772822	758806	940467	960829	573985	485924	548461	568777	572050	795860	356140	496584	679985	602251	507546	480531	350530	372837	590514	761371	831487	1133978	525471	549912	714658	713905	1268688	1231011	528848	803998	514450	563927	544743	658052	592732	814086	455348	374869	778351	644201	464431	356682	535179	476989	588315	553307	714658	729958	776800	882674	697906	1271176	996358	721166	1180236	759986	1007520	1538805	858891	899399	1234304	1263004	714658	702414
methylimidazoleacetate	8441	9603	10656	11230	18713	18834	8747	13503	8490	13857	10292	23037	8114	6718	7663	4434	5335	4461	3549	5511	6886	4806	6197	4347	7634	7087	8441	8631	6545	7662	8978	8099	8460	10025	2812	3287	2395	4749	6926	8312	4930	11473	5013	5769	5025	18014	6753	8713	8441	8517	6500	2550	12607	10578	12703	6982	10048	11693	9778	20847	7387	7172	21826	19868	8441	7375
methylthioadenosine	1864354	1939949	2080365	2248158	2381870	2399364	2254493	2414583	1726460	1979112	1995910	1954448	1603483	2229106	1335014	1264235	1418430	1111877	1038692	1157282	1413023	1398583	1526732	1504782	1544595	1743517	1864354	1933860	1599547	1587239	1565408	1517114	1562984	1759456	1645638	1965056	2204957	2283246	1149992	1016808	1081368	1097182	997697	1009224	1054433	1245698	1518174	1325561	1864354	1852962	1242387	1090591	1245580	1254403	1237610	1094684	1337517	2190168	1883982	2014045	2855710	2933546	2103567	2117165	1864354	1866503
N1-acetylspermidine	646756	632461	573282	584443	583418	581538	620767	621248	546391	563300	585345	603630	389425	658020	786962	536044	734621	554940	658112	792868	1037848	774559	711439	756080	747157	566022	646756	665017	655309	663068	773559	557480	533060	667001	564220	562530	712969	780063	487239	553661	696820	648982	667655	600744	601722	784698	627763	677845	646756	645651	737640	527398	651177	719787	902329	591507	701719	748714	738851	859022	512855	501536	670936	678817	646756	658795
N1-methyl-2-pyridone-5-carboxamide	38561	38275	40901	42986	54834	53341	31292	34223	32600	37107	35471	28967	24534	41036	38846	31017	45527	29428	43550	52790	62903	54584	43118	41439	61363	46033	38561	38822	30452	35812	37834	31450	31923	37378	39341	32412	37229	45655	28016	29263	30168	34891	28109	27368	25102	44398	27577	33399	38561	38810	41157	22237	41931	53787	52219	46544	42381	45993	51521	51285	37158	35481	58387	59138	38561	37548
N4-acetylcytidine	72223	72507	37361	37637	44012	42547	45966	66685	50403	67019	50202	47565	22695	37326	35651	26340	116701	89494	99218	100166	151089	115180	101141	92200	90070	88614	72223	73231	75229	42490	59668	42562	39829	77801	86843	94320	115141	104853	36136	30655	34011	32597	39380	27832	32135	41053	40650	31672	72223	70051	106668	83508	106550	124781	118950	75363	95184	127503	104351	136688	30148	30229	58550	58075	72223	73390
N6,N6,N6-trimethyllysine	914072	876142	1437546	1448703	1458352	1444178	844798	952088	976132	1069703	1048233	1008063	514631	939479	1111066	932356	866534	717461	710683	836891	1108073	1110743	1097806	856040	771419	851764	914072	907660	969916	1084100	1130117	842591	903882	1000897	758752	906120	1035163	946782	705495	701496	1007198	976678	905034	893511	757619	1151884	1008966	993202	914072	910172	883688	674100	839824	801856	854423	723188	955473	1165510	970276	1059164	1330631	1326196	1842839	1838640	914072	919093
N6,N6-dimethyllysine	4839	4766	8017	7693	9002	9214	4972	5060	4930	4610	4827	3636	2871	4616	5749	3742	7084	4045	4685	5109	6370	6961	6431	4765	5210	4095	4839	4735	5348	5075	6183	4079	4354	4875	4102	4098	4448	6405	3899	4038	5512	4999	4317	4729	3737	6064	4607	4527	4839	4696	6862	4046	5599	6000	6681	4555	5687	5951	5042	6241	6437	6478	11028	10963	4839	5067
N6-acetyllysine	16446	16018	18965	19321	21819	25800	15683	17675	16404	16393	15175	14339	9560	15503	18304	12944	17501	13727	13619	16530	21797	20250	19698	18737	15018	15241	16446	17050	18820	17904	20958	15792	15206	16227	13387	14488	16943	16435	13087	13401	15728	17509	15344	14663	12319	17946	13540	14174	16446	16792	19013	13079	17165	18357	20557	16699	19589	22270	20180	23881	17895	18760	26356	25817	16446	16693
N6-methyllysine	4212	4398	7964	7655	8466	8677	4619	5050	4916	4399	4587	4630	2276	3748	5275	3367	4925	3527	3364	4337	5955	6362	5490	4430	4391	3869	4212	4379	4648	5115	4890	3960	3780	4663	3572	3816	4159	4789	3433	3332	5535	4847	3919	3860	3434	5176	4124	4265	4212	4166	5449	3775	4997	5455	5855	3748	5184	5345	4948	6191	5958	6154	9722	10019	4212	4177
N-acetylaspartate	37010	37268	57146	55442	57863	58991	42497	44213	38760	31951	33209	33228	23099	41524	43435	31259	39463	33862	34807	43442	46527	41376	34925	42234	38150	31127	37010	37484	39065	35659	42153	31074	30150	32685	36711	38510	40446	44672	35861	34806	38503	38992	36271	33675	31801	43216	38327	33773	37010	36755	41749	34447	38672	41099	50822	37438	39447	44843	37392	44409	47833	46875	64288	65462	37010	36600
N-acetylglutamine	444654	377897	440088	363044	620340	630833	525165	491357	388257	391878	462946	481235	284788	513735	486886	417062	553112	421356	392664	551290	536756	522219	410887	517815	432728	372616	444654	430312	488543	472405	549189	396643	412814	429417	433869	369238	473298	502423	331594	477175	530373	500956	494471	475908	393724	503745	399181	442520	444654	423334	497271	343052	431401	503834	593125	439805	437900	465169	452437	608978	336814	300316	708651	783500	444654	427278
N-acetylhistamine	5403	6043	13568	13258	14163	13141	7104	6752	6269	6160	6669	8520	4147	6190	5773	6075	4010	3179	3502	4966	3776	3941	5872	4745	3981	4330	5403	5285	5253	6979	6217	4669	4966	5305	5039	3689	4472	6176	6842	4660	6481	6921	6520	5444	4135	5849	5593	5765	5403	4868	5368	5283	6519	5679	5881	3877	5232	3921	4242	4791	8830	8706	12055	11727	5403	4723
N-acetylhistidine	26960	29894	22090	20601	23312	22862	22464	28485	26935	23977	34339	25864	17746	25620	26500	20497	36512	25396	24623	27980	31575	31327	31266	36208	33217	30075	26960	25979	21640	24722	26261	21380	20763	28304	21924	27568	30545	26897	19194	24231	26444	27531	22151	22869	21433	26477	25633	24686	26960	28978	37879	25276	37393	36151	33405	24520	38037	37081	32641	38815	18437	16333	21487	21586	26960	26647
N-acetylleucine	59915	61285	22773	23958	75866	74138	43749	24104	29721	42223	42056	32054	32877	29590	26239	54351	53429	27120	41155	79739	38684	71107	34756	24086	24125	30577	59915	62293	91831	25333	33071	23009	31249	89080	92181	30714	27466	149800	50614	49538	43794	54620	117308	33736	109742	37908	61581	26674	59915	60941	43408	108346	115028	74834	152131	24438	126439	72973	84884	69475	162875	165334	27893	28216	59915	60627
N-acetylmethionine	309	309	1126	1100	1421	1222	273	103	241	322	613	326	671	277	162	386	249	142	281	315	612	402	238	435	143	304	309	308	204	825	172	197	304	229	263	292	186	1479	235	197	145	185	322	142	191	238	233	214	309	302	252	340	318	848	348	242	313	237	277	265	785	716	1382	1149	309	342
N-acetylornithine	69636	70248	111960	109607	102927	105872	83639	87899	97216	89393	83689	95835	45412	77179	91227	67262	55817	50604	68569	64994	82002	95615	78178	70434	53693	62436	69636	71456	73873	71822	82067	72310	69467	65692	60882	56726	75619	75478	64462	63184	78751	89748	77843	68420	58031	93362	68931	77337	69636	74069	76511	45987	64962	64941	72142	52311	73918	62017	58056	81277	89064	92156	114588	118503	69636	70035
N-acetylputrescine	10618	10755	11019	10832	10862	11441	12752	10932	9327	9310	10868	9545	6373	11919	12356	8081	14708	10293	11182	12088	14670	17821	13663	11095	10142	8847	10618	10090	11235	9774	10757	9180	9312	10025	8632	8331	10355	10743	9794	10021	15050	13137	11364	10881	9931	14989	9204	10370	10618	11383	11588	9257	10782	12398	15875	9586	10784	11155	8425	12716	8187	8291	12537	12660	10618	10483
N-acetyltryptophan	1248022	1160436	860486	855284	1406864	1451141	707988	366126	602997	352790	454847	420544	100641	491927	471361	344504	2015368	1034043	926236	2391285	1295135	1547181	1681942	1780602	2315661	1041166	1248022	1243549	570484	572489	566293	448178	253591	1486821	1114116	1494107	1250039	1295578	352907	217816	625021	578472	362846	460251	347871	681245	375604	415687	1248022	1246939	2853475	1385764	2736024	2230488	2334206	2229943	2393406	2285281	2385285	2718237	845666	829406	1619665	1670696	1248022	1333979
N-alpha-acetylarginine	7044	7050	9910	9972	12228	11317	6384	8855	8425	7427	7707	8010	4142	6324	7442	5159	7417	5430	4400	6125	8732	7739	7935	8173	6377	6002	7044	6505	7397	8992	7356	6497	5210	6861	5649	6496	7270	7744	5013	6135	7780	7335	6735	5389	5170	7635	6018	5937	7044	7455	6566	5446	7576	9722	8871	6703	8332	9300	8073	10187	8016	7897	10300	10750	7044	6841
N-carbamoyl-beta-alanine	16634	16338	14176	14137	25657	24793	17420	15727	16780	16188	14293	21015	14605	14616	19817	11782	19496	9429	12241	29307	17536	14522	13131	18428	28257	12910	16634	16827	14519	14741	16753	13525	9557	21318	14202	14631	14108	17726	15748	11478	12976	17616	11316	15817	9515	14398	13557	14024	16634	16229	24480	10650	26866	21309	20710	18310	22833	18227	24515	26552	11201	11398	28817	29119	16634	16554
niacinamide	15453466	15302189	32689958	33190487	42813629	43012247	20508642	14122101	12309764	20109404	19374241	12306707	19165773	14648218	14927418	20199390	16632125	16766502	18500341	14883363	26223896	18943523	15821883	15668457	13313988	13931681	15453466	16067040	13606533	27421485	15470420	13107518	11150128	15064825	15056397	19714614	15850749	29512055	14714165	14179006	13068967	13218106	12820916	12395371	12797387	13391083	8867956	10931542	15453466	15445953	10258940	17127140	13126589	23997032	17533630	10698761	13530189	11034812	16724812	20394623	30008548	29294617	51868044	51510447	15453466	15459942
N-lauroylglycine	10527	10290	6395	6129	27242	27276	6900	5998	5867	8404	7056	7833	8993	9384	7362	6202	7564	8815	7246	6985	8536	7179	5956	7163	6165	9573	10527	9848	7069	7640	43486	7113	7292	9943	7431	9183	5481	7957	7600	39588	27854	8212	7164	7002	9326	15089	12746	29690	10527	10497	7716	8227	7835	8355	9363	6471	7138	6311	11371	8150	8131	8509	6473	6177	10527	10218
N-methylproline	9456	9014	11380	11164	13220	13680	10497	11188	9417	7633	9016	12075	5961	12196	7823	7559	4684	4495	4327	5974	5714	6185	6371	5535	5108	4874	9456	9183	5370	5276	3022	4623	3224	5492	5322	5022	7058	5735	10516	7251	7924	14478	9004	7932	7896	19210	11649	11026	9456	10266	14847	10354	23853	25971	24519	11144	17005	24492	9471	33211	12184	11587	15409	14276	9456	9829
NMMA	68295	68524	96292	96870	97548	96697	77741	83378	85559	84218	86920	86436	46609	64174	87130	55813	73919	48119	47385	66983	99841	79312	73578	68252	63643	56537	68295	69637	68815	93431	78257	55054	55793	64903	48776	51257	63575	107704	53018	50552	71249	71717	56148	55034	41825	79717	64691	72473	68295	67786	76942	43012	63617	118036	79669	64251	72794	81198	77913	93616	78535	79765	119377	122722	68295	69725
ornithine	21820	23369	27982	29412	25989	26268	25629	29544	28540	27039	31544	29753	14510	21028	25034	15804	17904	13080	11834	18753	22385	22007	22252	18802	21102	17076	21820	21168	22902	25138	21972	19316	18464	22366	16315	19281	22990	23125	17374	18649	21357	22349	16536	19910	18513	24677	19878	21607	21820	22941	25855	19002	28886	27523	24884	19890	24724	25662	25691	29017	24182	25018	29353	29689	21820	21885
pantothenate	2341436	2299049	3143715	3196144	3589306	3520827	3074343	2192234	2449601	2493301	2432013	3302403	1531675	2729368	2531692	2817806	1926790	1421876	1683592	1898157	2473538	2149113	2350967	2017993	1778422	1777844	2341436	2395506	2491426	3338573	2818807	2403153	2002554	2127049	1458075	1865680	2120704	2122971	2030619	1839298	2378236	2440652	2045082	2268019	2189093	2528836	1693724	2495814	2341436	2308573	1708517	1059989	1552191	2170357	1866042	1276490	1513055	1621540	1681245	2586332	2880178	2923657	3837167	3905818	2341436	2360356
pantothenol	1448003	1484807	563859	676567	1342306	1307266	6424877	1965137	1759398	2462501	916380	1146976	1298205	1979465	705727	2289721	4668176	1037640	1127723	811493	400832	671322	807858	1318638	1360482	1344439	1448003	1443647	1035757	2411261	854961	893573	866098	921248	835424	1324502	919676	1465152	1037140	1302135	1239635	1360797	748986	1960435	1293356	975892	800750	1381638	1448003	1436510	739273	1381322	916254	1278704	637479	585338	1084297	646295	784530	1449892	872002	940849	257386	376730	1448003	1537175
phenylacetylglycine	35574	31351	42847	43764	43953	44627	23278	23985	31978	20861	13750	16918	13120	16220	26886	10700	53084	16152	48527	63369	79626	45279	40997	28421	29969	40352	35574	34504	22089	13865	62601	18523	10280	30487	45093	71920	38942	43575	13156	13425	14899	12172	12638	20476	7580	31987	21090	27123	35574	35281	76243	21622	75020	53263	77363	65915	51454	83562	64414	41042	33081	33821	57061	59106	35574	37318
phenylalanine	84492339	84643064	105698854	105143714	108423567	108013877	84889645	85001304	94531010	81199098	95823761	97589071	67136861	80692198	83527711	70500394	88472882	63479141	74835983	87054070	94318781	94865717	79517131	91841387	87940538	79856343	84492339	81700332	87828353	88905290	97314758	76656591	74273528	85662412	81520019	81307938	92014027	110746645	71074868	73316911	79504796	88653022	78769577	81612492	68237614	85215930	82177079	77185518	84492339	84457035	96299032	76499998	94536177	118014252	100927949	90369982	93661115	77499801	94397154	99593841	84160698	82472986	129238380	129527772	84492339	82078516
phosphocholine	568641941	567590400	719871470	720591933	609876318	602633452	570381949	596560384	596261883	569441223	623223770	840204324	330579494	547101513	605301218	504877229	699510785	438295114	487514690	523124448	740916564	717506390	619856798	605054398	487705122	492034683	568641941	571096653	616059838	690687950	708971845	456355683	513760223	573283384	573383462	472032200	594655512	622019015	427388660	606623040	701597986	543014574	563790827	477868115	469200234	739860207	540565475	597136258	568641941	566219938	528391384	351178353	568427455	696776238	773660179	546820706	572128577	626723442	615527252	840365362	584775211	585447420	821990103	818974559	568641941	567580659
pipecolate	37065	36137	65517	65626	71706	69411	43124	36008	32294	38625	33752	32350	28021	40969	45766	36569	42443	33781	30633	36989	51128	39642	37822	39633	33584	27453	37065	38193	53055	46549	50227	44945	42141	41174	31266	33482	39579	39320	31648	30372	37848	40093	35399	32419	30312	42311	36908	36553	37065	36832	44070	28070	45098	42475	45799	32020	35907	36263	34746	51458	52779	55268	84103	86550	37065	35536
pro-gly	1673	1679	2254	1953	2288	2440	1242	1356	1542	1471	1795	1267	773	1439	1714	1536	1832	1352	1289	1619	1770	1818	2106	1823	1702	1536	1673	1724	1940	1627	1655	1625	1333	1803	1242	1280	1488	1828	1238	1642	1791	1842	1880	1683	1433	2204	1681	1806	1673	1777	1967	2195	1714	2481	2280	1763	1728	2009	1576	1951	2021	2057	2296	2372	1673	1536
proline	1689059	1665920	2344561	2316840	2310425	2290855	1916256	1796174	1899440	1763829	1899465	1967691	1098063	1592061	2024063	1441264	1837867	1355729	1378913	1736082	2262456	2208246	2163201	2081256	1625327	1642728	1689059	1695192	1841908	1984968	1828609	1427147	1437356	1611665	1241948	1706177	1847215	2214438	1273904	1458202	1873241	1713400	1631807	1566382	1391065	1965375	1507788	1583630	1689059	1698138	1881412	1343510	1733341	2150891	1953881	1454628	1857356	1879040	1760158	2126726	1996309	2034746	2682526	2662363	1689059	1665897
proline-betaine	1596523	1580132	1840726	1856541	2214098	2210438	2210985	1321526	1425940	1389471	1484127	1410598	967613	1418664	1839612	1363178	1708885	1366866	1305631	1411487	2509335	2525838	2458737	1804592	1495127	1661316	1596523	1599036	1819234	2203555	1375005	1245730	1421894	1501336	1152543	1416033	1222052	2158667	1231487	1197011	1890500	1639579	1452145	1496271	1396835	2184409	1650905	1680430	1596523	1577692	1627530	1719248	1598399	2105368	1999166	979675	1842908	1861304	1826085	1537895	1718635	1696206	2468190	2478469	1596523	1611324
pseudouridine	28323	27447	68475	71976	83708	79208	27849	129425	43789	18758	17790	17850	7394	21648	60155	22829	29162	12936	12376	24388	50673	37542	24962	45936	29632	15890	28323	28517	29355	44816	67264	43307	28712	24776	12791	13088	38771	31414	19328	11267	26974	39702	19280	11122	8539	35633	90226	49025	28323	30614	38087	15997	28301	43910	33879	32296	50459	61658	109374	75104	31801	30217	138316	134930	28323	28294
putrescine	89112	89379	82424	83536	88835	87044	103260	84772	76792	83226	85566	83106	66480	90508	94671	79236	107772	91306	87218	93185	105162	117557	105661	91562	89870	83138	89112	91135	86213	91824	99072	84642	84182	84975	78923	76672	87270	96854	79099	80312	97527	95676	86697	84594	83622	101544	81349	87894	89112	89057	92846	80973	90979	97782	103555	82634	87440	94177	85169	96087	76205	77504	92868	92945	89112	89827
S-adenosylmethionine	220013	217129	270260	276654	292851	297532	257861	271396	230950	246368	232249	224304	146713	240546	281447	209946	216802	200598	183643	225303	288324	263120	251697	241553	210371	197083	220013	220996	246659	247864	274480	217078	194363	209546	171791	196584	225290	238740	189073	198898	244772	261547	224097	219110	201036	274457	236630	233294	220013	221047	231396	181723	239213	249693	241461	213041	241182	258906	241455	278021	229194	225642	340250	346170	220013	219242
SDMA	4034082	3854480	6311876	6263206	7120135	7214866	4769895	4830956	4161992	4045507	3882239	3834549	2373612	4075934	5200716	3217953	4842088	3404357	3004950	4759221	6405640	4762714	4655157	3724656	4255165	2938991	4034082	3921331	4094398	4544524	5525083	3425296	3148602	3962391	3097669	3043943	3710805	4856211	3683356	3573237	4997761	4660465	4058042	3648719	3089472	5447845	4417370	4671325	4034082	4523021	5652166	3551297	4731927	5549430	5960404	3710549	4496915	5963128	5087115	6522845	4875672	5076686	9594078	9191467	4034082	3840935
serine	32178	34424	33604	33569	38377	39083	35528	37399	34145	34423	37750	32216	28582	31586	31191	25442	32107	27774	26172	31187	35089	34864	37761	33416	28208	33043	32178	32800	32860	33028	30957	28845	30181	33558	29863	32468	34708	38429	26143	31411	31116	30583	29000	31169	32460	34371	27454	29145	32178	31759	36841	33162	32516	40608	35469	28580	34809	37408	32336	36800	31352	31307	39634	41551	32178	32118
serotonin	102715	92969	285162	277643	245465	242194	81755	100746	124355	101139	84778	105253	62628	96205	105843	55282	99261	59583	102238	142601	114608	98449	90880	105689	88503	82555	102715	105508	107082	113089	130157	97917	74886	107779	89519	71931	91269	131138	73204	114025	180082	119162	111841	83774	64118	138493	112015	112466	102715	107709	124792	59726	119325	108835	186383	130441	123026	121667	86496	162228	211923	212671	285065	280087	102715	103459
S-methyl-L-cysteine-S-oxide	49945	46484	66718	64267	63185	68310	41559	56759	52953	52549	40657	43488	42687	54356	49258	46758	48627	39696	36288	47798	56048	47790	47564	45951	43019	40899	49945	51114	48992	67459	53269	54632	49998	53378	50783	47780	48600	71544	51384	40424	34018	42768	40250	37917	41454	45528	50744	55724	49945	46685	52033	48483	53405	63820	50208	48757	49457	57401	74362	55490	62091	66012	84965	78240	49945	52442
taurine	23995679	23943556	28439889	28650794	28217760	28400542	25305919	25614265	24502940	24700599	23671602	23531205	18126487	24807039	26911241	23568008	24199886	22217699	21790629	25331959	28374075	25654784	24530750	25427210	23473653	22166261	23995679	23709790	26486230	25661380	27566558	23108559	22259291	23464958	21465454	22693603	24330066	26717827	22063464	23003397	25685204	25701576	24888589	22946895	22097223	26679468	24546965	24592613	23995679	24235843	23026861	20247030	23951620	25325993	26255078	22287578	24070119	25542641	23810456	27188559	25697629	25987374	30638092	30698298	23995679	23935051
thiamine	222408	216559	294387	298274	377708	386740	308460	196349	234968	207083	206321	249522	169314	218974	276908	198222	229890	184484	145445	248297	249952	260100	275713	326320	183537	190282	222408	234219	218957	229724	252170	223552	163340	260180	175109	249646	242854	344527	187489	163797	289776	279534	207650	166879	181280	262088	216047	230505	222408	224755	188335	169036	240482	321355	263883	146163	284836	272676	201699	322966	260595	256974	473963	479966	222408	229239
threonine	113883	113898	114420	113574	118781	122447	127188	119147	139359	123443	145311	123638	97165	116438	118761	97457	122908	98979	103242	126279	109553	118057	113136	115613	110061	112719	113883	113371	111542	112631	104082	111501	114438	114399	101729	101742	110606	113855	97864	125333	117601	116950	113639	116996	115042	135428	96351	107811	113883	114983	107835	92889	105734	130749	124996	103974	114947	120306	117576	118723	107575	106124	122222	124136	113883	112705
trigonelline	586510	588878	711153	708296	957567	980212	676215	475963	506626	519335	591396	647668	308891	528057	669783	567610	661883	631354	508949	541023	876366	958586	985227	992189	655026	633217	586510	585207	320081	475854	444564	556718	531170	542766	520051	685029	582734	829435	465446	390312	664040	627108	500865	435038	518720	575264	567668	513566	586510	580052	676345	608075	463690	679264	664210	416530	642747	510980	566347	626927	671979	683218	1048063	1047452	586510	588704
trimethylamine-N-oxide	131770	132154	73874	73721	75436	75453	106021	132480	156000	123733	119671	173864	64719	103734	128088	121435	241481	231084	133614	129374	301111	294296	269359	235323	245235	200862	131770	132735	133637	154243	96535	87463	93766	150494	154383	160482	178653	242169	74252	78434	137689	105297	81028	86774	77581	74498	75417	63150	131770	131701	147525	32699	45669	179977	85799	40080	55540	92049	41804	181893	68924	69914	83640	83605	131770	131429
trimethylbenzene	3672	2743	5586	5145	4433	6740	5425	2741	1990	2900	6392	4398	4307	6181	10839	9373	7150	6381	6502	7547	11439	8160	3931	11410	6930	1257	3672	4652	10108	2246	1618	7651	9684	9149	6163	6424	10475	7532	3635	11737	6570	9510	8532	9262	5692	11374	2853	4647	3672	5507	11395	10164	3037	7540	10821	8702	6251	9148	792	4827	5332	4303	4494	4281	3672	3172
tryptophan	41970412	41448484	57540982	56506764	66359094	67958407	40907878	45058835	49401606	41046750	48219203	44588579	29838582	41909344	45700218	32433858	39616546	35073841	35953968	41689035	47622585	49201897	46223952	42845680	45021642	42956941	41970412	41300751	42220244	47257946	42297054	36860575	34704591	43699786	36329579	39554384	45060469	46293892	34612646	35528579	35174238	40972652	38010094	35608188	32994080	43593066	35064061	38526165	41970412	41387271	43968224	37371394	53411935	48897989	46382177	41489134	45208564	53385675	49993736	57906863	50586760	50525563	77718753	76504321	41970412	41849161
tyrosine	27446648	26659259	29484317	28875478	42467247	42033989	29527449	29898070	31869668	27651404	34971790	32918246	17792580	29217860	34964168	23562952	26787371	19487903	24859711	29443438	37650099	39661660	30589364	27812179	30734921	27265418	27446648	27735044	29163445	33932430	29602174	20267784	22548607	25719781	21842105	27190712	29441555	38840781	19957320	23742485	25568535	27793444	24289098	24147786	21250568	33288792	25639654	25108283	27446648	27933681	31650986	19277562	31615630	36160364	30598028	21261938	29067808	29640919	30997936	39609187	25739944	25496659	52332858	54109655	27446648	27584330
urate	47439	45315	20610	19741	92355	95839	50349	62178	55551	13775	33795	58990	10378	21508	13446	13574	46730	28998	60936	70128	48904	129244	56674	115624	54879	58819	47439	46980	23835	27440	58246	17288	10411	34949	62264	83539	68189	123778	16192	20278	29267	16903	10376	45762	30912	33382	49065	28852	47439	45108	188623	55033	66773	73813	98951	121113	92297	60384	122618	59940	15778	15487	143201	142035	47439	47878
urocanate	67546	67617	62744	61751	116009	116922	81846	113555	39836	146996	525245	42808	38225	70231	53183	50901	133888	171893	30068	38275	36843	36858	90068	58654	38602	39627	67546	66136	28463	93619	241781	217860	58560	49970	35777	174471	25275	165302	57740	510307	34583	30935	37183	71640	32826	20421	27511	33270	67546	65248	65703	69595	27763	40995	36562	30287	28402	26402	34553	72263	212748	204957	215026	215701	67546	66943
valine	170947749	170579448	227117738	224675564	237609166	235600981	175969641	171092287	199636401	170297379	217588207	196471426	98975656	173946021	190780737	140327379	169738569	129960612	161697054	196100724	228150177	231144582	177772929	178315988	191853852	166928051	170947749	173941685	178972102	176322783	174703949	154133831	147531505	177725928	144799021	151723880	193944481	218162989	121548566	128856933	147234148	179353060	139389657	148942934	126208473	189829784	144185714	138941799	170947749	166183760	188479804	121165745	210072269	211181270	192841742	161447571	185986937	189364420	193396243	248195271	184288083	189033852	266566907	267632711	170947749	168715192
xanthine	176130	172154	577113	589808	719598	712847	120825	54339	60975	131692	356393	132225	640395	124832	67346	146115	114052	74263	110781	70119	818452	120209	98861	58932	67532	135538	176130	181896	100985	562348	49469	81175	86743	85502	93968	141192	158148	1390347	169247	130363	74822	85534	100529	62069	91020	141536	69891	108600	176130	169217	128279	107445	121786	686039	111252	151495	161628	118429	95288	138612	496193	492710	902503	890739	176130	183309
xanthosine	26012	26601	9567	9411	20331	20903	17641	19609	35349	2708	17088	93213	7475	6032	1783	6419	9218	7065	34779	8551	14518	56542	20211	46240	9164	27642	26012	26321	7817	13567	32389	4294	4957	13879	36767	67721	31632	79404	7040	12897	13116	3752	3980	34497	22385	10653	13314	11270	26012	24666	121244	44797	10559	33225	38103	75945	50190	16694	41787	8098	8632	8516	24609	24618	26012	26697
C14:0 LPC	339722	340651	518030	503516	568399	555533	406065	372007	439725	439646	581740	510546	215061	370500	499958	332980	300451	221237	271619	348093	498275	504531	443850	408494	323918	348824	339722	346498	408357	552666	352067	310208	289707	313725	233976	289355	328765	608068	272504	252257	352056	380418	325783	288836	279071	432676	318225	336704	339722	351670	418233	232683	274478	371775	326050	253057	317928	276442	271080	359194	459417	460432	611125	613100	339722	335153
C16:1 LPC	639282	654634	967968	977095	1048520	1046674	923571	662385	1048021	927859	1337784	1099403	488666	652568	751847	660356	543122	414444	542739	684424	793201	858124	667616	699913	570743	597356	639282	650366	663154	850422	535025	531552	531517	525104	509448	533872	580653	1120068	480968	442751	569807	600363	598655	521651	549200	830895	589505	575215	639282	621393	696305	627230	527940	699226	628932	475254	518060	530572	487091	603518	853534	868679	1188690	1241101	639282	673650
C16:0 LPC	34751081	33885503	46352080	45171924	48138340	46453201	42282712	41214462	43087546	43350438	46271302	43499309	25152547	38012994	46013935	32404348	30691956	25830500	26410794	33501339	42818698	38546946	37439208	36231994	31721676	31232409	34751081	34867421	44781047	41556436	38019329	34125447	32594564	32473645	26943452	32110425	34339458	37803602	31424696	30506062	36119252	38332311	36149000	35619028	31877905	45423345	34426148	36155981	34751081	33447991	33062801	25365440	27967895	31684562	33278635	27259088	29745491	33699910	31502538	35761588	40565812	42368969	50169781	50912723	34751081	35568065
C18:3 LPC	1128736	1102116	1342358	1300871	1365215	1304871	1308293	1514364	1477119	1310764	1387208	1344967	904866	1190954	1428298	1040838	974821	832228	833602	1079438	1310680	1208109	1190317	1234429	1047758	1023061	1128736	1111048	1415673	1318532	1167941	1178161	1109125	1053467	907214	1030980	1119985	1241123	1055046	1021763	1140107	1226772	1149245	1116103	984440	1315633	1280099	1208299	1128736	1088354	1167829	940147	924938	1068709	1066009	1002407	1005755	1087230	1191350	1107067	1186596	1257735	1504057	1538586	1128736	1191142
C18:2 LPC	3749927	3712042	5415884	5287848	5445704	5333196	3869699	4297211	5110487	4808060	5723642	6032416	2073600	2925188	4648327	3249514	3421179	2904936	2799059	3591359	4010722	5533517	5467255	5295623	3857070	4427144	3749927	3809224	4651865	4635818	3555938	3857086	3600903	4212514	3204021	3736742	4094030	3930665	3074993	2755775	4083919	3892123	3791994	3180783	3276921	4477865	3867822	3711725	3749927	3677880	2782498	2655117	2420700	3127060	3516473	2600727	3700869	3179491	3246395	4333821	4964009	5216421	5590043	5665755	3749927	3767612
C18:1 LPC	1727331	1701525	2196715	2255613	2180911	2166042	1989784	2047081	2444317	2281697	2801864	2604877	1127098	1668300	2157261	1536760	1586644	1213115	1365086	1949251	2068856	2243400	2084580	1825830	1623036	1772278	1727331	1676356	1925305	1741591	1584131	1513316	1541964	1784723	1532318	1628851	1767723	1817966	1420711	1449563	1749569	1774294	1817536	1636943	1602155	2358084	1823354	1872848	1727331	1816250	1563839	1221241	1296158	1620477	1736074	1427013	1679541	1550125	1541114	1829357	2039875	2001781	2354269	2413492	1727331	1751637
C18:0 LPC	19951572	20876659	20432215	20313136	22052102	21549843	20054160	21140859	19165185	19864101	21801349	18346745	13313271	18652966	21842964	18172652	21660467	18428172	15870460	20851615	28932440	20095626	21962431	21454122	21024815	19954184	19951572	19961672	21181530	17806955	18539109	17445089	16484142	21716189	18564176	21027604	23315760	20979317	15459948	18434072	19798422	19027443	19591565	20309645	17249481	24209257	18340756	17958714	19951572	20191192	22236474	17256541	18018801	22515289	22229367	23570233	22118167	24349479	21934948	25909824	17985826	18804583	22113480	22451933	19951572	19744056
C20:5 LPC	86053	88574	120821	113360	108951	114931	78865	116109	139738	106821	126804	155214	46921	55961	98236	76521	78751	65285	60006	86893	84364	139043	131129	133710	94191	110299	86053	84617	101181	102482	75167	90372	81746	95691	79981	83602	89590	92166	67662	59329	91026	86544	76550	63673	66930	87347	101090	84558	86053	83705	67159	53657	48344	74637	77062	60967	84007	70358	82184	92096	101704	104257	116209	123284	86053	95072
C20:4 LPC A	1007781	1049415	1491008	1496096	1545312	1498525	1202383	1142087	1206307	1305328	1348443	1304036	755975	1135423	1374118	1056328	988856	647866	546993	977924	1000138	849856	983000	936772	1010856	860602	1007781	939030	1197972	848175	1069208	1007922	936391	1144703	845873	832704	950071	738002	954131	962563	1170653	1048157	1308024	1164090	970825	1740054	1254629	1277887	1007781	1042964	693468	627654	693034	920943	1018452	848533	1082445	1119537	991851	1288330	1264836	1261594	1572221	1582342	1007781	994823
C20:4 LPC B	731225	742813	1037151	1035766	1137870	1117564	766503	692795	710437	797046	1043080	536656	463366	822177	961188	747265	711841	558623	450025	886546	911899	593293	647405	733007	813164	540930	731225	712029	886214	625032	693463	696498	689049	773351	575062	610502	726058	773169	593686	659474	771637	791240	874579	822242	678156	1524613	823463	800745	731225	768045	775413	576923	668263	895068	869075	666488	735787	957813	798698	1125351	889990	920560	1268612	1245739	731225	747894
C20:3 LPC	222678	224256	244777	247611	250487	250516	219682	279491	261833	231003	283302	257260	151824	211739	270469	212228	212310	170099	150971	237806	291279	227640	225808	246602	228574	215296	222678	218747	233479	193741	182186	216511	210288	235844	199816	208508	298619	211374	200647	212107	235622	230244	238668	281881	190706	305717	248942	216804	222678	240410	256813	191532	197177	263080	252811	334273	277799	257385	267914	337640	219872	216353	278876	277697	222678	227853
C20:1 LPC	33839	36182	40395	44118	45969	45483	27587	31326	39724	29139	50514	31589	22061	29235	34889	29053	29981	24213	31662	48238	49446	46174	42722	38831	34949	34388	33839	35818	40398	39478	32463	29300	35290	38814	32416	31239	43514	40421	26643	33979	39640	34630	33682	30419	37639	48720	38011	32871	33839	38123	32008	31000	31077	38179	37639	31810	29002	38636	30814	38263	39478	41117	48847	51818	33839	34305
C22:6 LPC	182356	186581	240318	237211	259446	245017	185482	138239	150458	185253	181261	115412	95502	183988	230040	169564	193143	156300	127564	252597	240981	166197	190522	199629	224993	139728	182356	171841	219991	150356	178093	157453	160101	210676	165357	169309	191530	220926	151609	121331	197621	178951	236518	177825	132120	362474	187622	182241	182356	188368	187174	155987	163439	216816	222523	168378	215039	237786	219995	281404	197760	197479	275984	284887	182356	179811
C22:5 LPC	54354	56699	96118	91412	100823	92724	64536	55165	61515	73507	78815	58439	36031	65483	67035	56805	45015	38586	36957	66414	64614	59372	58259	54929	54820	40919	54354	50778	64957	54607	44905	46752	51760	55490	42685	43478	52052	68384	47403	38438	60678	61143	65554	54708	43061	97970	57499	52510	54354	57702	49993	39743	39245	60347	62994	41069	62635	50616	49471	62142	71531	72767	97945	105085	54354	51922
C22:4 LPC	60330	58549	96996	101061	101691	100163	76079	62048	56050	57156	88827	53242	47727	55236	74145	60958	58768	22940	40050	69078	79653	59704	65072	61319	52098	41121	60330	58227	65203	56989	52504	46103	41582	59020	52497	41333	49226	102610	46877	44788	69127	63870	62506	60975	36043	75787	54952	54816	60330	61705	58256	45849	44648	113345	66334	54717	61948	75262	70451	94366	82188	77415	126348	120854	60330	62827
C24:0 LPC	197558	185711	178341	177598	168498	159222	216827	183410	207245	192194	233587	210621	124111	195450	217952	203317	211815	211919	195783	244067	284124	273926	261343	249994	230321	206823	197558	195826	233090	168576	154266	181316	196309	218525	204305	203221	195424	239832	123369	165941	194688	186622	167008	199203	174212	228776	170374	151321	197558	198411	225499	176405	195857	209165	214000	187884	224898	230833	187463	241291	175565	193683	167754	158741	197558	191769
C16:1 LPC plasmalogen	6466	6922	7991	7058	6731	6622	8089	4080	6015	6512	6691	9325	6597	7859	5143	8401	4741	3848	6460	8036	6994	1383	6419	5013	5443	5954	6466	6769	6277	6834	5851	6059	5560	7332	5250	4157	5902	10345	8013	4439	8401	6188	7417	7964	5217	9843	5075	4593	6466	8849	11257	7608	4801	10854	10721	8643	8310	5620	6095	7620	4852	5730	5595	6758	6466	6286
C18:1 LPC plasmalogen A	105743	102165	161380	174520	209919	198371	114769	104454	100772	105416	126095	104852	103198	97929	102165	74996	118837	68366	69408	112003	181245	115355	102379	98849	97106	95806	105743	93659	106334	117722	95404	71798	67095	95649	81199	82325	101300	196350	72001	93393	101186	86171	88897	99943	84968	125229	89740	86577	105743	106330	134071	91674	111531	167049	133801	101365	100179	111266	106907	135604	128342	134738	221560	240005	105743	99900
C18:1 LPC plasmalogen B	37202	37913	71861	75926	81509	82420	54999	45634	33834	40813	49808	47895	25885	33533	45701	33551	29302	18037	17427	33485	50917	32359	39787	32757	30415	24219	37202	36802	45952	35823	36849	30664	25931	37464	30232	27767	29205	58891	28642	28969	44724	42380	40794	41553	28404	42004	36565	35876	37202	35714	43890	29836	24695	54563	46205	34326	42479	48003	50077	63671	59533	59174	99970	96322	37202	36393
C16:1 LPE	13531	15850	3879	4604	4668	5681	1318	6173	6135	5941	1191	3766	4344	2873	1692	4320	16782	9546	13147	2336	1581	2727	9527	664	8860	8202	13531	14420	1183	18421	28183	3687	3252	1154	3041	10081	125267	3461	18724	734	3841	1160	3692	86012	2927	2580	8875	16441	13531	12023	821	1434	17324	3634	1933	71397	3959	1609	9654	111075	4797	6427	737	733	13531	12221
C16:0 LPE	703832	667835	861148	845048	787423	795627	759975	721965	699301	794065	932430	820253	594905	697453	795566	649128	662956	591509	591355	696358	926749	881464	729502	710246	646808	639057	703832	702388	770925	878070	721777	634418	637446	702944	558895	649163	705988	950038	613790	627120	739188	730640	734107	657732	620772	912139	648986	732810	703832	704649	693135	629946	654276	759165	778530	599223	641280	779247	707129	716003	780212	799710	872410	895332	703832	709020
C18:3 LPE	58212	55722	66365	65978	64618	63677	60948	59073	56537	64953	79475	65236	50975	55829	67158	53008	52540	49176	49610	57450	70562	68473	56777	58582	53403	54368	58212	59707	63027	72273	57746	53540	53439	60166	47947	56600	57323	77115	51097	56134	61158	62768	64421	57302	54548	75399	54125	60962	58212	60200	59672	53676	60286	64375	67461	52698	53405	64274	61230	64208	65747	69870	74129	75609	58212	58566
C18:2 LPE	31040	31707	57204	58698	70763	68424	43995	36127	35459	45050	60737	50907	24713	24007	33138	27294	20799	18295	20425	24965	38710	39786	37902	36976	23393	28721	31040	33489	34379	49966	25344	27608	23739	33359	21990	27053	30142	55190	21130	20776	32114	27704	27356	24568	26038	37268	27665	27893	31040	30575	20770	35307	21292	33547	36124	20959	29317	24228	23404	34789	49115	50290	74098	75574	31040	30189
C18:1 LPE	322093	315950	475817	483464	546005	562902	456732	339507	320083	398248	534286	373553	269274	348043	326918	346949	289106	244076	242214	313934	445333	369960	336822	325627	291340	277035	322093	328516	320965	394545	323170	264574	264500	309198	254499	280228	322893	569825	281118	272142	276165	300996	293616	273121	287986	390004	281350	323949	322093	314028	304832	397430	315900	403387	360052	287325	298147	321803	304868	354667	423074	421053	596061	592300	322093	310259
C18:0 LPE A	1186488	1151210	1203029	1214415	1089715	1118166	1199634	1273448	1160880	1182655	1348710	1287852	959485	1026712	1087847	931732	1276027	1149003	1090165	1164046	1575596	1450926	1274172	1176202	1060199	1204042	1186488	1198553	1049165	1153368	1058587	974554	1002014	1260860	1064276	1185663	1186448	1367141	969515	1112676	1117467	1031951	980724	1049477	953098	1261233	979135	1071331	1186488	1133552	1354498	1101598	1179830	1369622	1424811	1302794	1208527	1458109	1389341	1382966	1168811	1199762	1127800	1149770	1186488	1129523
C18:0 LPE B	204311	219377	380787	391232	448217	441281	282844	304022	337903	288730	350026	337767	137955	241968	296243	184394	184802	119081	140282	182412	262482	249559	226409	210283	165002	203763	204311	213809	303840	273496	219248	184604	173720	191068	148367	183614	201144	213696	165533	188103	208393	227124	198028	195680	187688	241199	214018	187609	204311	192874	175677	121429	162456	190261	198499	140193	179645	187872	181090	205675	312504	326907	444570	458761	204311	212543
C20:4 LPE	651203	652348	872644	861168	858585	911768	798266	764289	697205	743651	803063	640982	554812	763262	647527	575647	592000	484739	431036	695235	782657	637301	630217	598341	588799	551502	651203	664092	701949	634776	662119	572262	563224	593632	542514	599714	667107	827861	717981	578988	555054	580693	528347	519648	498465	719402	602220	604785	651203	672198	626844	561568	635299	740278	632837	584115	619296	776067	621258	788827	835107	804296	829907	824291	651203	638779
C20:0 LPE	631331	621172	897595	916034	972411	980062	755687	816849	809106	744096	873261	747219	439569	738669	858120	605113	605670	427703	425831	572664	795527	586308	626396	601483	549368	558030	631331	612000	841577	754933	719888	589241	575127	568601	485762	567738	605000	552442	588570	641357	687454	736639	680698	707498	652046	804028	729766	710048	631331	659029	534163	431618	492395	672876	646365	554429	652476	622673	590354	691053	817045	823624	1036561	1054338	631331	633655
C22:6 LPE	84633	80565	98501	94756	84057	92300	86061	71989	67500	77733	87559	57308	57592	79153	85843	74760	73847	60151	58630	98790	95033	81253	83493	83829	81030	78586	84633	89925	106897	86485	94357	85108	85012	90686	81777	95988	96855	113536	86306	65863	64816	73666	74532	74207	56016	106726	82062	80935	84633	88258	81140	72126	83445	94484	85216	73901	83659	107253	86803	109452	108659	117401	103337	92813	84633	94035
C30:0 PC	102875813	102435704	102567819	101653367	103304710	100263720	104443653	95780662	115329129	104090327	109701349	116558003	78623329	106901617	112052750	98013929	101598097	97016777	112482737	105755287	107188899	126634345	110467679	106104149	99921160	104759633	102875813	98367538	94372783	101312144	89362051	96719598	92179880	98530858	90899116	102867496	103628565	120461132	91545034	89001664	107549469	106708971	95695043	91682157	93268845	99494175	96858522	95031478	102875813	105495225	110327647	88754478	99297200	103782552	100188408	102321128	105442242	106020690	106316149	109670529	110921242	111722996	102682569	106291317	102875813	108435827
C32:2 PC	16182974	16826212	17873871	18175859	21025842	21122119	17971046	18634030	16949303	17722804	18125708	17184589	12831659	16869128	18289682	15118105	15643062	15071045	14404484	15505666	19840676	17121106	17285976	17064944	15993859	16703659	16182974	16113190	19386806	20363956	18912239	15869341	15982623	16193659	14356012	16074649	15775767	16964279	14806645	14200750	16808035	17562800	15483115	15454249	15020065	15722774	15910193	15023169	16182974	16302233	15291730	13283322	15742916	16915950	15876063	14834720	16216216	15948077	16546859	17627005	16455874	16713927	20858607	21565488	16182974	16314218
C34:4 PC	39659793	39853712	40111266	39080881	43443972	42711138	42115128	39263474	42654663	40050552	42552756	42540839	32644839	42900619	45156738	39189880	42903822	38093063	42026235	41922888	46764414	45247105	42718895	43920867	41244116	41169737	39659793	38711211	44399973	45437313	40996741	38030213	38388804	38534779	37854202	39490219	39237598	44683262	35847835	33738089	39903994	43502741	38415742	37419169	35828164	40309290	38953517	37062318	39659793	40405013	40199930	33383451	39918329	42507393	38677508	37153297	39152494	35367032	38170498	40949471	37462917	37720228	44558844	44183174	39659793	40091162
C34:3 PC	14782136	15196082	14140730	14370484	15881969	16208558	15899003	15120002	15072598	15193196	15740498	15293945	12394679	15003390	15292260	13453751	15418658	14176687	15690493	14611635	16844561	16908388	16095785	15537340	14417814	15502724	14782136	14266480	16005952	16991866	15364841	13619811	14397419	14287408	13388475	15154333	14565070	16623827	13585307	13395239	15281412	15710817	13831207	14476502	14035429	14858894	14722273	14389370	14782136	15391329	15653502	13163135	15612751	15241558	14617530	13586107	15020786	14628883	14434733	14773463	14007331	14224395	15650659	16271300	14782136	14823228
C36:2 PC	497799007	504414853	585247482	590979020	607420202	615488918	516760973	556680021	542245930	528672684	512004952	521404751	420883587	457791350	472167158	461206956	485937643	483902920	498848751	468002236	547693818	551812483	541243776	491295813	476446137	509401849	497799007	481272381	491008762	529265368	538486233	464854947	459525697	542046355	463952656	518067539	516120674	529590893	481907304	496683287	522655169	491023129	507669243	519393881	503856277	510938313	503905439	503506450	497799007	528992111	528610920	504888198	520048168	546220950	538268287	517572668	539280896	500119187	495370098	534764029	554530856	567664622	573097876	589688059	497799007	498307941
C34:3 PC plasmalogen	928931	948129	1166955	1167116	1143536	1205876	961519	1159451	1050820	1032272	1030039	1243378	805150	901624	829286	808740	829724	841844	950593	828223	998129	984695	902391	887768	838303	949947	928931	916880	1102959	1267558	1097777	910191	914466	850238	855998	890200	975469	981658	946914	997971	1037085	950869	1033320	953431	976247	994291	965790	957770	928931	1020375	934141	927039	998777	1096257	1091984	983226	947722	866199	872288	1007357	1044480	1063132	1153650	1162105	928931	934020
C36:5 PC plasmalogen	17861861	17003376	19351959	19869972	19534299	19449298	18636473	17876421	16961368	16984668	17733893	18610220	14335801	18459428	20189704	17990532	17784813	17197742	17256734	16892213	19923174	18749145	17541885	18577955	17256519	16847470	17861861	18650487	20805712	20154742	21625042	17717383	17734897	18133222	16775850	17494916	18556306	20905855	16476697	17723994	19858392	19400293	18876044	18104507	17087116	19453708	18009231	18588275	17861861	18313370	18009276	15755510	18281511	18972356	18953561	16437982	17313074	18086634	17453443	19430333	17699618	17633820	21098460	21444252	17861861	16998671
C36:3 PE plasmalogen	1601929	1543044	1930313	1963790	1967386	1828954	1647866	1714193	2009328	1786578	1697893	1754284	1503198	1458481	1416031	1414573	1522722	1481743	1594582	1461503	1717107	1712556	1615601	1445266	1545413	1731051	1601929	1607496	1598442	1661826	1457644	1431833	1505347	1481689	1711444	1769207	1472883	1626318	1676475	1679686	1592811	1530950	1471464	1507895	1592033	1448583	1574324	1432944	1601929	1659750	1669533	1636809	1702394	1801179	1756475	1856454	1720902	1847448	1676283	1605331	2067853	2072811	1811783	1787286	1601929	1587119
C38:7 PC plasmalogen	2276968	2291560	2361805	2395490	2494614	2394625	2391116	2089943	1908109	1917257	2004521	2001254	1526414	2457650	2704106	2254982	2311887	2114345	2282223	2413833	2857139	2433271	2447985	2567352	2336218	1974910	2276968	2351818	2766839	2675773	2996775	2236534	2249891	2475100	2263690	2230862	2719726	3111085	1971650	2212410	2499107	2425677	2507210	2310723	1970849	2732537	2224817	2444642	2276968	2244571	2419138	1774156	2357294	2514573	2601581	2002747	2250085	2357686	2189679	2774216	2145099	2053174	2552252	2630512	2276968	2288942
C38:6 PC plasmalogen	5612461	5631391	6944419	7014168	7150332	7029476	6227669	6148759	5703929	5640126	5631136	5634551	4244247	5818623	6229177	5560723	5783931	5061181	5447291	5635885	6761465	6126355	6013292	5704395	5444208	5333820	5612461	5601804	6513827	6577990	7155968	5290680	5233104	5682967	5090800	5424924	5892067	6737629	4975099	5430156	6238081	5934954	5876773	5837259	5040091	6429365	5773220	5713177	5612461	5550025	5608866	4463651	5672230	5697946	5841862	4927859	5436294	5869456	5373562	6206568	6070031	6030967	7352653	7626306	5612461	5618067
C34:2 PE	3627966	3709115	4041381	3969005	4142754	4290585	3721032	3874078	3882152	3691195	4055128	4179643	2999414	3811823	3948256	3670551	3430669	3668457	3402040	3431774	3911127	4380365	3661916	3793216	3461592	3327800	3627966	3757189	3807167	3957558	3894034	3761217	3606609	3541501	3110176	3548742	3624141	4032154	3770787	3714665	3888503	4003256	3762127	3679874	3754848	3970211	3583926	3765576	3627966	3450498	3683069	3276858	3483611	3481489	3441795	3183170	3436386	3557359	3148632	3312801	3763541	3742974	3898404	4033714	3627966	3825139
C34:0 PE	9995265	9972812	11455272	11417952	11979328	11869867	11767369	11000222	10842735	9915978	10247952	10437487	10228384	10908050	10041190	10330323	8678208	9206023	8663986	8311025	8868410	9586812	8905207	7966687	7658695	9330268	9995265	9926208	9759561	9838726	10602073	9852222	9664586	9483757	8674210	10232680	9746427	9279139	10466408	11718103	11197601	10503705	10325581	10845458	11475176	9976854	10261674	10157967	9995265	9948027	8698510	9633866	9612376	9731176	9109488	8692811	10246477	11724367	9475648	9386597	12690190	13146978	11172520	11778656	9995265	10226294
C36:4 PE	7976468	7729543	8527831	8567556	9217779	8839643	8215832	8039871	7776927	7985022	7990448	8023078	6181705	8807535	8917715	8052443	8162657	7813736	7037789	8058884	8629880	8574389	8075017	8291409	7509834	6895607	7976468	7829815	8561757	8235816	9016448	8092512	7363188	7797774	6587167	7458760	7796479	8611363	8187222	7929152	8501233	9297728	8778512	8477675	7933703	10067281	8598373	8696523	7976468	8433687	8231127	7508910	7999149	8102635	8210258	7189079	7898227	7914238	7470931	7851385	7994967	7869414	9177838	9251441	7976468	7920252
C36:2 PE	3867258	3799637	4217763	4210511	4446948	4350253	3759825	4054327	4105674	3888200	4112949	3940197	3299738	3677559	3484206	3379634	3598382	3612184	3452247	3463044	4027273	4087890	3882388	3530553	3615797	3628322	3867258	3679932	3591360	3589090	3610991	3569262	3596565	4122449	3601268	3780671	3668841	3946989	3899604	3997979	3996112	3886389	3747053	3816617	4016575	3775439	3730787	3896120	3867258	3965171	4194280	3828542	4048695	4117387	4151277	3887582	4084666	4250508	4142594	3774988	4283490	4272494	4069754	4085172	3867258	4031641
C38:6 PE	2179848	2221334	2408434	2376420	2440867	2363279	2097296	2077459	2025116	2075688	1979765	2031862	1516265	2260267	2394961	2172359	2345108	2187543	2155217	2428868	2605442	2475182	2303263	2462557	2279945	1958954	2179848	2251123	2477377	2498859	2608017	2189284	2130108	2425432	2062760	2174481	2429188	2642075	2075378	1964695	2201725	2369553	2227236	2178941	1989172	2596436	2252446	2244721	2179848	2313102	2227645	2008757	2138831	2302795	2299837	2037808	2166297	2034570	1999796	2309558	2104387	2125349	2454092	2532734	2179848	2101395
C38:4 PE	13515346	13580311	14397522	14066205	13844251	13474489	13794246	13233673	14262118	13690408	13574626	13667364	11135594	13959904	13570566	12912858	15078354	13596254	12968298	14634200	14085332	14458299	13542124	13882183	13539010	12816901	13515346	14077876	12949472	12931844	13209003	12592828	13381951	13567108	13477331	13386539	13185946	14344080	13798895	13956343	13749345	14459192	13079646	13402017	13296679	14819812	13733223	14076878	13515346	13983916	14416410	13212350	14070745	15457037	15296573	13950019	14601787	14376987	14151274	14782339	13657532	13640527	13133210	13310186	13515346	13273570
C40:6 PE	1420842	1405093	1478034	1419375	1448114	1406271	1372366	1333810	1310346	1331872	1243555	1222291	1038539	1350367	1414093	1328770	1536170	1440964	1412732	1572285	1693077	1506469	1474749	1546942	1491100	1276236	1420842	1506556	1506485	1509535	1622411	1396030	1431276	1789102	1458339	1431490	1566943	1631622	1349571	1328041	1456259	1443422	1433428	1395235	1315415	1557046	1352041	1486022	1420842	1454361	1433508	1294267	1451836	1581231	1565785	1372544	1536396	1552215	1469204	1605914	1333541	1339243	1496941	1536450	1420842	1394454
C34:3 PE plasmalogen	1051258	998094	1191524	1198469	1230869	1202635	1044205	1066284	1115946	1022010	1053236	1147925	941838	991966	997928	937769	951471	1017231	1046618	968843	1050131	1138887	1060055	988782	1006007	1012860	1051258	992624	1086454	1123679	1014808	1013314	1005783	950148	985623	1112644	1008336	1081171	1056314	1076121	1127213	1041680	989561	1018770	1029724	1013708	1024760	980068	1051258	1115058	1161797	1076201	1124565	1114314	1132859	1079724	1093846	1088979	1072930	1051297	1250371	1249503	1142961	1126146	1051258	1080947
C34:2 PE plasmalogen	4693633	4481849	4067467	4144554	3954424	3783028	4684620	4307954	4556505	4322507	4360894	4357660	5319715	4442080	4091460	4406773	4521621	4831167	4598297	4057993	4099923	4529968	4289753	4102245	4591178	4705838	4693633	4519327	4473970	3978147	3879204	4452228	4584849	4278945	5026040	5185074	4234095	4349540	4969841	5059322	4632047	4265737	4250075	4384326	4672274	4142223	4374088	4299459	4693633	5036873	5232172	5074163	5022585	4856887	4702154	5161281	5071691	5372682	5116310	4334315	4969527	4972072	3455207	3477287	4693633	4732042
C36:5 PE plasmalogen	23890675	24186973	26187572	25154011	25395848	25061191	25048599	23780224	24210522	23921443	23923539	23113373	20455803	24687938	25460694	23333166	25605783	25154287	23874140	24753321	25468156	25842005	23424207	25955561	24981681	23013856	23890675	24989433	25152399	25116462	25621307	24044026	23697451	22833461	23143230	25561405	25086528	25824947	23461294	22582002	24947474	24862369	23575376	23116119	23030302	24903891	24153842	23620572	23890675	24554535	25250784	23895359	25912503	26342539	25263723	24715171	25524401	24924626	23824890	26322263	23739430	23878240	24757882	25302168	23890675	23545492
C38:7 PE plasmalogen	5500412	5578575	5848647	5707913	6040928	5840411	5598272	5173754	4939923	5267840	4997488	4710773	4285013	5276404	6040975	5205092	5756551	5529679	5383464	5962084	6599983	6095171	5772083	6269482	5924392	5094643	5500412	5553698	6263991	6204247	6634682	5741691	5385822	5572258	5334800	5818939	6194906	6484083	5143011	4934872	5764865	5564120	5671428	5312812	5162170	5959646	5359299	5417034	5500412	5609642	5644680	5015236	5647695	5984413	5885761	5100914	5698953	5866268	5315675	6347407	5447287	5487605	6133428	6220788	5500412	5564139
C38:6 PE plasmalogen	14276352	14493354	17452155	16952003	18303062	17624465	15960443	15716351	15303208	16025026	15186369	14454763	12076965	14218135	15797318	13741277	14068165	13502942	13558704	14420989	17119833	15837010	15039970	14984705	14583845	14074575	14276352	14575578	16138392	16126978	16839684	14504967	13816529	13747825	13065746	14630016	15187004	15140103	13624352	12897296	14864043	14450152	14451000	13839687	13859845	14795800	13961384	13604917	14276352	14461006	13993027	13133300	14221385	14748881	14411567	13484456	14114156	15106327	13691559	15406296	16241472	16454828	18062607	18327758	14276352	14207359
C38:5 PE plasmalogen	26950566	27173863	30312172	29292217	29675292	28552560	30269857	28194602	29242145	29838007	28105213	28668732	25632413	28682027	28708689	27342562	26761747	25556397	24947026	25681132	27452427	27318934	26084447	26175113	25966394	25842058	26950566	27724200	27666876	26130148	27116451	26668825	27127251	24639636	26271824	27463336	26806947	27274822	27904949	28068419	28765340	28319745	27098060	27563583	28815476	28432042	27146647	28089376	26950566	27324349	27947677	25851031	27932069	28545524	27836157	26944300	28942235	29052408	27795606	27955233	30150063	30636647	27771436	28223014	26950566	27016463
C40:7 PE plasmalogen	5235135	5241120	6090744	5878794	6345770	5977575	5794905	5262123	5175892	5352388	4964543	5053021	4277223	5281067	5726373	4934235	4946025	4717649	4712814	5247206	6066288	5451955	5392096	5125434	5091183	4942742	5235135	5212641	5779665	5647157	6027117	5427897	5253899	4960595	5026837	5083688	5619112	5834636	5008700	4987310	5591375	5392210	5512402	5345103	5343423	5792168	4865885	5372100	5235135	5174098	5215091	4705719	5040462	5266728	5360276	4761969	5490144	5659072	5138252	5612677	6053068	6262185	6115226	6251417	5235135	5395421
C36:2 PS plasmalogen	258419	252432	321569	300921	348782	334489	281258	302421	316106	290033	286642	283220	168815	244049	333809	233033	250741	215280	303321	235815	386598	358112	351795	285334	291414	325895	258419	260672	329628	329416	297172	236809	238839	273747	232055	294162	320199	322290	184358	188268	246411	244860	225866	226213	222685	232992	220910	219835	258419	253562	238700	191846	237442	265219	235311	243843	263394	255424	287962	340742	331225	307230	385681	422432	258419	297387
C14:0 SM	43820	33343	59473	55385	52280	53539	32502	27456	62358	46313	73375	56085	26682	43484	77984	70149	47647	76384	42170	86357	63414	52295	80586	64891	70062	41892	43820	70995	56008	45095	23636	50554	59100	53376	66360	61659	47969	68467	20245	29745	53959	38110	27407	46741	34914	57125	22169	28960	43820	33179	43229	21659	31058	22522	28949	28852	34808	45497	22927	49646	93240	103246	52122	45875	43820	59796
C16:1 SM	4269718	4082173	5404505	5557392	5334585	5592080	4564486	4265194	4584971	4108179	4812416	4060653	2450419	3934676	4932244	4194996	4490253	4136360	2161977	4388475	5420227	4459956	4662461	3900966	4666178	3665578	4269718	4380504	5494561	4153054	4548105	4272749	3920338	3968028	3655556	3400364	3848093	4850288	3925735	4386772	5357972	4341488	4388766	4970887	4182751	5413070	4475943	4266684	4269718	4381828	4258994	3797611	4442993	4132470	4700545	3629348	4264032	5111051	3849599	4950280	4908540	5025812	5984574	6127339	4269718	4165246
C16:0 SM	63903921	60699225	60588134	62131546	53047680	52007762	64608375	56420550	64316340	54157671	64724573	63147553	56716491	55904969	56832828	61927959	64488367	60938217	43259214	57290791	46039986	54585787	55781699	48838953	61904656	56843130	63903921	65445767	62621076	51059833	44460421	61809638	62403709	57699684	61981191	54577157	52242827	61713105	68045469	71963016	67864753	52201485	55238145	64036426	68301152	57252329	61472899	62402814	63903921	64652386	63051922	60895331	59246735	53701408	59650034	55668260	59412409	72754930	59116549	53350489	83733889	85013727	50533338	51446455	63903921	65680375
C18:1 SM	2528971	2406122	3227263	3278519	3237001	2965807	2926726	2301318	2260547	2112379	2351227	2130677	1689970	2460935	2762126	2222143	2621565	2360679	2041820	2664885	2541070	2301985	2255063	2529521	2586937	2009279	2528971	2556114	2311622	2007172	2339080	2277355	2324483	2336166	2300703	2526666	2548861	2861138	2395308	2724296	2967940	2630188	2413565	2579816	2650782	2679697	2580636	2626798	2528971	2643838	3038841	2374005	2864692	2881874	3090652	2371980	2882295	3238039	2689331	3048145	3142543	3075666	3368799	3171158	2528971	2546646
C18:0 SM	5834689	5551799	5123870	5316748	3965882	3731281	5019674	4302375	4392279	3596451	4775443	4878955	6505334	4957426	4418455	5179497	6233266	5567758	6059295	4997862	3060082	3203839	4192510	5117275	5674863	5042019	5834689	5982577	4327368	3461004	3130255	4992894	6003018	5318346	6851243	6473003	5311087	5882757	6142886	6718468	4387849	3378980	3787111	4217099	6350614	3382966	4964411	4727173	5834689	6080724	5682245	5794351	4987753	4153067	4714505	4167518	4383267	6575771	5230028	4204810	9629204	9636644	4128775	4011166	5834689	6061352
C20:0 SM	2511229	2536590	1969763	2080746	1442805	1426339	2186539	1939383	1729325	1515607	2002590	2271725	3601953	2161823	1807821	2465463	2603055	2393064	2895595	1921685	1197027	1130527	1610848	2191184	2472888	2624534	2511229	2581135	1875242	1376868	1394562	2222826	2929372	2324044	3240698	3181889	2383102	2671793	2833696	2564379	1455039	1113873	1509607	1585177	2412176	1186035	2150001	1840519	2511229	2521644	1990839	2522725	1790808	1298200	1329080	1421580	1397116	2554900	1955584	1607924	4978915	5170501	1451449	1634587	2511229	2481068
C22:0 SM	32467924	33056213	28143438	28373824	23631499	22987698	28878651	28094172	23443770	22840517	29587312	31423683	48813505	28464390	24159884	33259257	35888620	31680810	34378574	25993728	19665366	19498096	24408499	32058307	33478185	40274677	32467924	35136699	26766547	20765354	22034516	29605584	36752872	33360858	42171631	44487707	35354531	39629856	35940183	30684966	21588095	18077176	23025371	24454196	30627226	19475660	28524648	25032314	32467924	31993759	27379258	32183455	24492792	18078398	17935635	20824495	19955965	35494572	30105720	23320353	61292566	66334926	21770571	23198054	32467924	34046078
sphingosine	4608385	4327542	4789085	4794861	4665590	4629868	5520006	4469704	4066513	4534831	4648149	4006826	3503431	5087999	5254186	4408073	5374357	4543310	4440508	4836015	6024052	5651849	4902149	4996854	4385118	3987286	4608385	4650882	4393373	4788722	5168331	4155408	3859043	4098456	3512011	4347242	4668636	6301320	4145516	4210411	4770135	5064716	4395507	4507161	4000790	5508218	4542925	4548852	4608385	4624829	5126249	4279410	4393254	5118493	4639695	4053645	4632568	5238711	4477234	4968104	4605796	4864490	5368829	5214937	4608385	4566887
phytosphingosine	247177	223123	177322	193397	176705	175267	263880	228819	237645	250632	251697	241933	155536	356460	220300	215033	285555	208321	248525	247179	329755	303265	233405	207154	216819	205621	247177	262260	205633	213846	235368	197394	183411	195487	180405	227696	227602	350273	194597	197788	286250	252137	206521	241994	211627	332393	227954	225594	247177	254100	396816	236274	261259	261387	236986	218277	242738	272242	232719	278633	188401	193155	176742	182672	247177	243323
sphinganine	1928854	1804329	1676978	1666719	1839167	1845730	2580088	1927990	1880571	1864757	2017938	2081735	1717958	1934334	1973736	1861214	1972454	1905289	2175989	2017871	2315126	2181472	2018454	1911904	1725600	1781081	1928854	1984460	1794563	1960179	1917716	1735328	1722951	1741769	1563186	2037585	1887224	2515682	1726540	2045720	2116097	1926754	1652998	1817855	1926625	2098062	1743569	1938074	1928854	1906749	2243396	1850636	1936099	2080677	1833800	1980376	1954594	2164699	2021198	1936250	1742131	1847117	1895403	1904219	1928854	1854722
C16:0 Ceramide (d18:1)	1151649	1230972	1373308	1308950	998280	959069	1335949	1278502	1009660	971843	1069885	1197924	1275215	927539	1091139	953717	1292847	1114070	840520	1272438	1162163	1057794	1329178	1113763	1165882	1202148	1151649	1196288	1003901	931264	757609	984666	1116554	1073260	1243672	971667	1219579	1247271	918644	989838	910287	659992	773790	814655	897388	777658	870072	924077	1151649	1162069	1216125	1005611	931396	878400	950140	849082	802172	1464788	1055549	1384398	1846212	1885848	1006888	1092650	1151649	1140022
C24:1 ceramide (d18:1)	1775238	1873096	2508139	2980048	1691753	1677029	2349225	2301992	2137826	2104550	2504328	2417164	2638557	2269913	1649272	2197004	2655417	2408119	2805757	2720448	2346030	1994228	2133133	2246342	2424100	2355672	1775238	2233831	2361932	1762545	1533977	2179619	2589777	2607435	2991136	2518207	2972628	3066492	2046297	2404999	1822669	1635265	1706151	1943899	2167823	1996614	1434915	2029983	1775238	1930770	2650205	2508807	1797934	1741065	1994608	2294578	1764864	2813081	1864859	2143615	2564530	2761400	1548051	1550534	1775238	2020393
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	formula	mz	neutral_mass	refmet_name	rt
phenylalanine-d8	C9H3D8NO2	174.1353	173.1292	phenylalanine-d8 [iSTD]	6.73
valine-d8	C5H3D8NO2	126.1365	125.1292	valine-d8 [iSTD]	7.42
1-methyladenosine	C11H15N5O4	282.1187	281.1124	1-Methyladenosine	7.68
1-methylhistamine	C6H11N3	126.1026	125.0953	1-Methylhistamine	9.63
1-methylnicotinamide	C7H9N2O	137.0705	137.0715	1-Methyl nicotinamide	8.24
21-deoxycortisol	C21H30O4	347.2203	346.2144	21-Deoxycortisol	2.03
2-aminoisobutyrate	C4H9NO2	104.0706	103.0633	Aminoisobutyric acid	7.64
2'-deoxyadenosine	C10H13N5O3	252.1082	251.1018	Deoxyadenosine	5.21
2'-deoxycytidine	C9H13N3O4	228.0964	227.0906	Deoxycytidine	6.01
3-methylhistidine	C7H11N3O2	170.0914	169.0851	3-Methylhistidine	9.81
4-guanidinobutanoate	C5H11N3O2	146.0918	145.0851	4-Guanidinobutanoic acid	7.22
4-pyridoxate	C8H9NO4	184.0591	183.0532	4-Pyridoxic acid	4.12
5-hydroxytryptophol	C10H11NO2	178.0851	177.079	5-Hydroxytryptophol	1.85
5-methylcytidine	C10H15N3O5	258.1077	257.1012	5-Methylcytidine	6.02
5-methylcytosine	C5H7N3O	126.0661	125.0589	5-Methylcytosine	6.12
7-methylguanine	C6H7N5O	166.0714	165.0651	7-Methylguanine	5.77
acetylcholine	C7H16NO2	146.117	146.1181	Acetylcholine	7.8
acisoga	C9H16N2O2	185.1271	184.121178	Acisoga	5.68
adenosine	C10H13N5O4	268.1032	267.0968	Adenosine	5.04
ADMA	C8H18N4O2	203.149	202.143	Dimethylarginine	9.74
ala-ala	C6H12N2O3	161.0913	160.084793	Ala-Ala	8.05
alanine	C3H7NO2	90.055	89.0477	Alanine	7.77
allantoin	C4H6N4O3	159.0505	158.044	Allantoin	3.58
alpha-glycerophosphocholine	C8H20NO6P	258.1094	257.1028	sn-Glycero-3-phosphocholine	10.39
anserine	C10H16N4O3	241.1283	240.1222	Anserine	10.45
arachidoyl ethanolamide	C22H45NO2	356.351	355.345	Eicosanoyl-EA	2.01
arginine	C6H14N4O2	175.1178	174.1117	Arginine	9.12
asparagine	C4H8N2O3	133.0606	132.0535	Asparagine	7.87
aspartate	C4H7NO4	134.0446	133.0375	Aspartic acid	7.85
beta-alanine	C3H7NO2	90.055	89.0477	beta-Alanine	7.96
beta-guanidinopropionate	C4H9N3O2	132.0766	131.0695	3-Guanidinopropanoic acid	7.46
betaine	C5H11NO2	118.0863	117.079	Betaine	8.97
biliverdin	C33H34N4O6	583.253	582.2478	Biliverdin	1.97
biopterin	C9H11N5O3	238.0923	237.0862	Biopterin	5.15
butyrobetaine	C7H15NO2	146.117	145.1103	3-Dehydroxycarnitine	8.75
carnitine	C7H15NO3	162.1115	161.1052	Carnitine	8.79
C2 carnitine	C9H17NO4	204.1216	203.1158	CAR(2:0)	8.65
C3 carnitine	C10H19NO4	218.1374	217.1314	CAR(3:0)	8.32
C3-DC carnitine	C10H17NO6	248.1119	247.1056	CAR(DC3:0)	9.39
C3-DC-CH3 carnitine	C11H19NO6	262.1278	261.1212	CAR(DC3:0(2Me))	8.52
C4 carnitine	C11H21NO4	232.1532	231.1471	CAR(4:0)	7.99
C4-OH carnitine	C11H21NO5	248.1483	247.142	CAR(4:0(OH))	8.84
C5 carnitine	C12H23NO4	246.169	245.1627	CAR(5:0)	7.78
C5:1 carnitine	C12H21NO4	244.1535	243.1471	CAR(5:1)	7.86
C6 carnitine	C13H25NO4	260.1849	259.1784	CAR(6:0)	7.53
C7 carnitine	C14H27NO4	274.2005	273.194	CAR(7:0)	7.45
C8 carnitine	C15H29NO4	288.216	287.2097	CAR(8:0)	7.32
C10 carnitine	C17H33NO4	316.247	315.241	CAR(10:0)	7.12
C12 carnitine	C19H37NO4	344.2781	343.2723	CAR(12:0)	6.93
C12:1 carnitine	C19H35NO4	342.2624	341.2566	CAR(12:1)	6.97
C14 carnitine	C21H41NO4	372.3093	371.3036	CAR(14:0)	6.78
C14:1 carnitine	C21H39NO4	370.2937	369.2879	CAR(14:1)	6.78
C14:2 carnitine	C21H37NO4	368.278	367.2723	CAR(14:2)	6.84
C16 carnitine	C23H45NO4	400.3404	399.3349	CAR(16:0)	6.66
C16-OH carnitine	C23H45NO5	416.3356	415.3298	CAR(16:0(OH))	7.1
C18 carnitine	C25H49NO4	428.3719	427.3662	CAR(18:0)	6.55
C18:1 carnitine	C25H47NO4	426.3562	425.3505	CAR(18:1)	6.57
C18:1-OH carnitine	C25H47NO5	442.3513	441.3454	CAR(18:1(OH))	7.01
C18:2 carnitine	C25H45NO4	424.3405	423.3349	CAR(18:2)	6.61
C20 carnitine	C27H53NO4	456.4035	455.3975	CAR(20:0)	6.45
C20:4 carnitine	C31H54NO4	448.3405	447.3349	CAR(20:4)	6.52
C26 carnitine	C33H65NO4	540.4983	539.4914	CAR(26:0)	6.23
cadaverine	C5H14N2	103.123	102.1157	Cadaverine	9.33
carnosine	C9H14N4O3	227.1125	226.1066	Carnosine	9.73
C-glycosyltryptophan	C17H22N2O7	367.1485	366.1427	C-Glycosyltryptophan	7.07
choline	C5H14NO	104.107	104.1075	Choline	8.29
citrulline	C6H13N3O3	176.1018	175.0957	Citrulline	8.31
creatine	C4H9N3O2	132.0765	131.0695	Creatine	8.28
creatinine	C4H7N3O	114.0663	113.0589	Creatinine	6.48
cyclohexylamine	C6H13N	100.112	99.1048	Cyclohexylamine	6.45
cystine	C6H12N2O4S2	241.0299	240.023848	Cystine	9
cytidine	C9H13N3O5	244.0919	243.0855	Cytidine	5.86
dimethylglycine	C4H9NO2	104.0706	103.0633	Dimethylglycine	8.52
ectoine	C6H10N2O2	143.081	142.0742	Ectoine	8.9
GABA	C4H9NO2	104.0706	103.0633	gamma-Aminobutyric acid	7.53
glutamate	C5H9NO4	148.0598	147.0532	Glutamic acid	7.55
glutamine	C5H10N2O3	147.0758	146.0691	Glutamine	7.99
glutathione reduced	C10H17N3O6S	308.0901	307.0838	Glutathione	7.81
glycine	C2H5NO2	76.0392	75.032	Glycine	7.89
glycocholate	C26H43NO6	466.315	465.309	Glycocholic acid	5.25
guanidinoacetate	C3H7N3O2	118.0612	117.0538	Guanidoacetic acid	7.83
guanosine	C10H13N5O5	284.0981	283.0917	Guanosine	5.28
hippurate	C9H9NO3	180.0643	179.0582	Hippuric acid	2.6
histamine	C5H9N3	112.087	111.0796	Histamine	9.2
histidine	C6H9N3O2	156.076	155.0695	Histidine	9.32
homoarginine	C7H16N4O2	189.1332	188.1273	Homoarginine	9.16
homocitrulline	C7H15N3O3	190.1173	189.1113	Homocitrulline	8.33
hydroxyproline	C5H9NO3	132.0654	131.0582	Hydroxyproline	7.87
hypotaurine	C2H7NO2S	110.0272	109.0198	Hypotaurine	7.97
imidazole propionate	C6H8N2O2	141.0654	140.058578	Imidazolepropionic acid	7.43
imidazoleacetate	C5H6N2O2	127.0502	126.0429	Imidazoleacetic acid	8.05
inosine	C10H12N4O5	269.0872	268.0808	Inosine	4.81
isoleucine	C6H13NO2	132.1017	131.0946	Isoleucine	7.09
kynurenate	C10H7NO3	190.0485	189.0426	Kynurenic acid	5.22
L-alpha-glutamyl-L-Lysine	C11H21N3O5	276.1547	275.148122	Glu-Lys	9.63
leucine	C6H13NO2	132.1017	131.0946	Leucine	6.96
linoleoyl ethanolamide	C20H37NO2	324.2885	323.2824	Linoleoyl-EA	2.01
lysine	C6H14N2O2	147.1122	146.1055	Lysine	9.35
methionine	C5H11NO2S	150.0577	149.0511	Methionine	7.02
methionine sulfoxide	C5H11NO3S	166.0523	165.046	Methionine sulfoxide	8.61
methyl N-methylanthranilate	C9H11NO2	166.0853	165.078979	Methyl N-methylanthranilate	2
methylguanidine	C2H7N3	74.0712	73.064	Methylguanidine	6.8
methylimidazoleacetate	C6H8N2O2	141.0654	140.0586	Methylimidazoleacetic acid	8.85
methylthioadenosine	C11H15N5O3S	298.0958	297.0896	5'-Methylthioadenosine	4.26
N1-acetylspermidine	C9H21N3O	188.1744	187.1685	N1-Acetylspermidine	9.82
N1-methyl-2-pyridone-5-carboxamide	C7H8N2O2	153.0652	152.0586	N1-Methyl-2-pyridone-5-carboxamide	4.32
N4-acetylcytidine	C11H15N3O6	286.1024	285.0961	N4-Acetylcytidine	4.26
N6,N6,N6-trimethyllysine	C9H20N2O2	189.1584	188.1525	N-6-Trimethyllysine	11.22
N6,N6-dimethyllysine	C8H18N2O2	175.143	174.136828	N(6),N(6)-Dimethyl-lysine	10.25
N6-acetyllysine	C8H16N2O3	189.122	188.1161	N6-Acetyllysine	8.36
N6-methyllysine	C7H16N2O2	161.1276	160.1212	N(6)-Methyllysine	9.65
N-acetylaspartate	C6H9NO5	176.0542	175.0481	N-Acetylaspartic acid	4.33
N-acetylglutamine	C7H12N2O4	189.0856	188.0797	N-Acetylglutamine	6.93
N-acetylhistamine	C7H11N3O	154.0967	153.0902	N-Acetylhistamine	7.74
N-acetylhistidine	C8H11N3O3	198.0834	197.08	N-Acetylhistidine	8.32
N-acetylleucine	C8H15NO3	174.1114	173.1052	N-Acetylleucine	2.89
N-acetylmethionine	C7H13NO3S	192.0676	191.0616	N-Acetylmethionine	3.35
N-acetylornithine	C7H14N2O3	175.1066	174.1004	N-Acetylornithine	8.38
N-acetylputrescine	C6H14N2O	131.1177	130.1106	N-Acetylputrescine	7.93
N-acetyltryptophan	C13H14N2O3	247.1068	246.1004	N-Acetyl-D-tryptophan	2.82
N-alpha-acetylarginine	C8H16N4O3	217.1283	216.1222	N-Acetylarginine	8.14
N-carbamoyl-beta-alanine	C4H8N2O3	133.0606	132.0535	Ureidopropionic acid	4.07
niacinamide	C6H6N2O	123.0554	122.048	Niacinamide	3.79
N-lauroylglycine	C14H27NO3	258.2057	257.199094	N-Lauroylglycine	2.41
N-methylproline	C6H11NO2	130.086	129.078979	N-Methyl-proline	8.61
NMMA	C7H16N4O2	189.1333	188.1273	Targinine	9.37
ornithine	C5H12N2O2	133.097	132.0899	Ornithine	9.32
pantothenate	C9H17NO5	220.1167	219.1107	Pantothenic acid	3.07
pantothenol	C9H19NO4	206.1373	205.1314	Pantothenol	3.85
phenylacetylglycine	C10H11NO3	194.0798	193.0739	Phenylacetylglycine	2.7
phenylalanine	C9H11NO2	166.0852	165.079	Phenylalanine	6.71
phosphocholine	C5H14NO4P	184.0721	183.066	Choline phosphate	10.87
pipecolate	C6H11NO2	130.0861	129.079	Pipecolic acid	7.97
pro-gly	C7H12N2O3	173.091	172.084793	Pro-Gly	8.42
proline	C5H9NO2	116.0708	115.0633	Proline	8.1
proline-betaine	C7H13NO2	144.1014	143.0946	Proline betaine	9.25
pseudouridine	C9H12N2O6	245.0759	244.0695	Pseudouridine	3.99
putrescine	C4H12N2	89.1073	88.1	Putrescine	9.38
S-adenosylmethionine	C15H23N6O5S	399.1431	399.1451	S-Adenosylmethionine	10.12
SDMA	C8H18N4O2	203.149	202.143	Symmetric dimethyl-arginine	9.63
serine	C3H7NO3	106.0499	105.0426	Serine	7.63
serotonin	C10H12N2O	177.1011	176.095	Serotonin	6.28
S-methyl-L-cysteine-S-oxide	C4H9NO3S	152.0379	151.030316	S-Methylcysteine S-oxide	8.64
taurine	C2H7NO3S	126.022	125.0147	Taurine	6.04
thiamine	C12H17N4OS	265.1111	265.1123	Thiamine	9.76
threonine	C4H9NO3	120.0657	119.0582	Threonine	7.55
trigonelline	C7H7NO2	138.0546	137.0477	Trigonelline	8.87
trimethylamine-N-oxide	C3H9NO	76.0756	75.0684	Trimethylamine N-oxide	8.1
trimethylbenzene	C9H12	121.1014	120.0939	Trimethylbenzene	1.77
tryptophan	C11H12N2O2	205.0957	204.0899	Tryptophan	6.49
tyrosine	C9H11NO3	182.0799	181.0739	Tyrosine	6.79
urate	C5H4N4O3	169.0346	168.0283	Uric acid	4.17
urocanate	C6H6N2O2	139.0498	138.0429	Urocanic acid	4.67
valine	C5H11NO2	118.0864	117.079	Valine	7.4
xanthine	C5H4N4O2	153.04	152.0334	Xanthine	3.79
xanthosine	C10H12N4O6	285.0821	284.0757	Xanthosine	4.29
C14:0 LPC	C22H46NO7P	468.3072	467.3012	LPC(14:0)	7.88
C16:1 LPC	C24H48NO7P	494.3231	493.3168	LPC(16:1)	7.79
C16:0 LPC	C24H50NO7P	496.3386	495.3325	LPC(0:0/16:0)	7.74
C18:3 LPC	C26H48NO7P	518.3208	517.3168	LPC(18:3)	7.74
C18:2 LPC	C26H50NO7P	520.3389	519.3325	LPC(0:0/18:2)	7.72
C18:1 LPC	C26H52NO7P	522.3547	521.3481	LPC(18:1)	7.67
C18:0 LPC	C26H54NO7P	524.3702	523.3638	LPC(18:0)	7.62
C20:5 LPC	C28H48NO7P	542.3208	541.3168	LPC(20:5)	7.73
C20:4 LPC A	C28H50NO7P	544.3391	543.3325	LPC(20:4)_hp_a	7.65
C20:4 LPC B	C28H50NO7P	544.3393	543.3325	LPC(20:4)_hp_b	7.52
C20:3 LPC	C28H52NO7P	546.3526	545.3481	LPC(20:3)	7.63
C20:1 LPC	C28H56NO7P	550.3862	549.3794	LPC(20:1)	7.55
C22:6 LPC	C30H50NO7P	568.3376	567.3325	LPC(22:6)	7.49
C22:5 LPC	C30H52NO7P	570.3531	569.3481	LPC(22:5)	7.49
C22:4 LPC	C30H54NO7P	572.3689	571.3638	LPC(22:4)	7.44
C24:0 LPC	C32H66NO7P	608.4633	607.4577	LPC(24:0)	7.33
C16:1 LPC plasmalogen	C24H50NO6P	480.3433	479.3376	LPC(P-16:0)/LPC(O-16:1)	7.58
C18:1 LPC plasmalogen A	C26H54NO6P	508.3751	507.3689	LPC(P-18:0)/LPC(O-18:1)_hp_a	7.77
C18:1 LPC plasmalogen B	C26H54NO6P	508.3752	507.3689	LPC(P-18:0)/LPC(O-18:1)_hp_b	7.46
C16:1 LPE	C21H42NO7P	452.2763	451.2699	LPE(16:1)	8.2
C16:0 LPE	C21H44NO7P	454.2915	453.2855	LPE(16:0)	6.26
C18:3 LPE	C23H42NO7P	476.2735	475.2699	LPE(18:3)	6.26
C18:2 LPE	C23H44NO7P	478.292	477.2855	LPE(18:2)	6.25
C18:1 LPE	C23H46NO7P	480.3074	479.3012	LPE(18:1)	6.21
C18:0 LPE A	C23H48NO7P	482.3231	481.3168	LPE(18:0)_hp_a	6.19
C18:0 LPE B	C23H48NO7P	482.3231	481.3168	LPE(18:0)_hp_b	7.8
C20:4 LPE	C25H44NO7P	502.2918	501.2855	LPE(20:4)	6.11
C20:0 LPE	C25H52NO7P	510.3544	509.3481	LPE(20:0)	7.68
C22:6 LPE	C27H44NO7P	526.2921	525.2855	LPE(22:6)	6.09
C30:0 PC	C38H76NO8P	706.5329	705.5309	PC(30:0)	6.73
C32:2 PC	C40H76NO8P	730.5336	729.5309	PC(32:2)	6.66
C34:4 PC	C42H76NO8P	754.5315	753.5309	PC(34:4)	6.58
C34:3 PC	C42H78NO8P	756.5462	755.5465	PC(34:3)	6.6
C36:2 PC	C44H84NO8P	786.5938	785.5935	PC(36:2)	6.57
C34:3 PC plasmalogen	C42H80NO7P	742.5699	741.5672	PC(P-34:2)/PC(O-34:3)	6.57
C36:5 PC plasmalogen	C44H80NO7P	766.568	765.5672	PC(P-36:4)/PC(O-36:5)	6.47
C36:3 PE plasmalogen	C41H78NO7P	728.5542	727.5516	PE(P-36:2)/PE(O-36:3)	5.41
C38:7 PC plasmalogen	C46H80NO7P	790.5684	789.5672	PC(P-38:6)/PC(O-38:7)	6.45
C38:6 PC plasmalogen	C46H82NO7P	792.584	791.5829	PC(P-38:5)/PC(O-38:6)	6.44
C34:2 PE	C39H74NO8P	716.5178	715.5152	PE(34:2)	5.48
C34:0 PE	C39H78NO8P	720.5489	719.5465	PE(34:0)	6.71
C36:4 PE	C41H74NO8P	740.5181	739.5152	PE(36:4)	5.42
C36:2 PE	C41H78NO8P	744.5493	743.5465	PE(36:2)	5.45
C38:6 PE	C43H74NO8P	764.5158	763.5152	PE(38:6)	5.4
C38:4 PE	C43H78NO8P	768.5469	767.5465	PE(38:4)	5.39
C40:6 PE	C45H78NO8P	792.5471	791.5465	PE(40:6)	5.38
C34:3 PE plasmalogen	C39H74NO7P	700.5226	699.5203	PE(P-34:2)/PE(O-34:3)	5.44
C34:2 PE plasmalogen	C39H76NO7P	702.5382	701.5359	PE(P-34:1)/PE(O-34:2)	5.43
C36:5 PE plasmalogen	C41H74NO7P	724.5228	723.5203	PE(P-36:4)/PE(O-36:5)	5.37
C38:7 PE plasmalogen	C43H74NO7P	748.5207	747.5203	PE(P-38:6)/PE(O-38:7)	5.35
C38:6 PE plasmalogen	C43H76NO7P	750.5361	749.5359	PE(P-38:5)/PE(O-38:6)	5.34
C38:5 PE plasmalogen	C43H78NO7P	752.5514	751.5516	PE(P-38:4)/PE(O-38:5)	5.34
C40:7 PE plasmalogen	C45H78NO7P	776.5521	775.5516	PE(P-40:6)/PE(O-40:7)	5.31
C36:2 PS plasmalogen	C42H80NO9P	774.5585	773.5571	PS(P-36:1)/PS(O-36:2)	6.75
C14:0 SM	C37H75N2O6P	675.538	674.5363	SM(d18:1/14:0)	7.3
C16:1 SM	C39H77N2O6P	701.5542	700.5519	SM(d18:1/16:1)	7.21
C16:0 SM	C39H79N2O6P	703.5694	702.5676	SM(d18:1/16:0)	7.2
C18:1 SM	C41H81N2O6P	729.5859	728.5832	SM(d18:1/18:1)	7.13
C18:0 SM	C41H83N2O6P	731.6013	730.5989	SM(d18:1/18:0)	7.12
C20:0 SM	C43H87N2O6P	759.6299	758.6302	SM(d18:1/20:0)	7.06
C22:0 SM	C45H91N2O6P	787.6588	786.6615	SM(d18:1/22:0)	7
sphingosine	C18H37NO2	300.2886	299.2824	Sphingosine	5.78
phytosphingosine	C18H39NO3	318.2991	317.293	Phytosphingosine	5.89
sphinganine	C18H39NO2	302.3041	301.2981	Sphinganine	5.8
C16:0 Ceramide (d18:1)	C34H67NO3	538.5189	537.5121	Cer(d18:1/16:0)	1.88
C24:1 ceramide (d18:1)	C42H83NO3	648.6255	649.6373	Cer(d18:0/24:1)	1.82
METABOLITES_END
#END