#METABOLOMICS WORKBENCH efahy_20230425_000076 DATATRACK_ID:3973 STUDY_ID:ST002654 ANALYSIS_ID:AN004326 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 Kidney
ST:STUDY_TITLE                   	Powder - Untargeted HILIC-Positive
ST:STUDY_SUMMARY                 	The goal of the endurance exercise training study in young adult rats (internal
ST:STUDY_SUMMARY                 	code: PASS1B-06) was to perform exercise training studies in adult (6 month)
ST:STUDY_SUMMARY                 	F344 rats, and from these rats collect as many tissues as feasible in order to
ST:STUDY_SUMMARY                 	provide high quality samples for detailed analysis by chemical analysis sites.
ST:STUDY_SUMMARY                 	Tissues were collected from 10-12 rats sedentary control rats concurrent with
ST:STUDY_SUMMARY                 	the collection of the 8-week training groups. The 8-week training group and
ST:STUDY_SUMMARY                 	controls were from the same cohort and same age at euthanasia (either 8). For
ST:STUDY_SUMMARY                 	the older age group, an additional set of controls (n=5-6) were collected with
ST:STUDY_SUMMARY                 	the 1-2 week training group. Rats were either sedentary or underwent an exercise
ST:STUDY_SUMMARY                 	training program. Rats were exercised on the rodent treadmill 5 days per week
ST:STUDY_SUMMARY                 	using a progressive training protocol designed to exercise the rats at
ST:STUDY_SUMMARY                 	approximately 70% of VO2max as outlined in the Table on the next page. Training
ST:STUDY_SUMMARY                 	was performed no earlier than 10:00 am and no later than 5:00 pm over 5
ST:STUDY_SUMMARY                 	consecutive days per week. Training was initiated with the treadmill set at 70%
ST:STUDY_SUMMARY                 	of VO2 max (see tables) and 5 degrees grade for 20 minutes. The duration of
ST:STUDY_SUMMARY                 	exercise was increased by one minute each day until day 31 of training (start of
ST:STUDY_SUMMARY                 	week 7), when a duration of 50 min was reached. Speed and grade of each training
ST:STUDY_SUMMARY                 	session increased in larger increments due to treadmill parameters. The highest
ST:STUDY_SUMMARY                 	intensity and duration of training began on day 31. This intensity was
ST:STUDY_SUMMARY                 	maintained for the final 10 days of the protocol to ensure steady state had been
ST:STUDY_SUMMARY                 	achieved. If any rats were unable to perform at least 4 days of training per
ST:STUDY_SUMMARY                 	week they were removed from the study and euthanized. It is important to note
ST:STUDY_SUMMARY                 	that the starting treadmill speed varied depending on the sex and age of the
ST:STUDY_SUMMARY                 	rat. The initial and maximum speeds were based on VO2max measurements obtained
ST:STUDY_SUMMARY                 	during the pre-training testing of the compliant rats. Rats assigned to the
ST:STUDY_SUMMARY                 	control group followed a schedule similar to the training group. They were
ST:STUDY_SUMMARY                 	placed in one lane on the treadmill for 15 minutes/day, 5 days per week. The
ST:STUDY_SUMMARY                 	treadmill was set at 0 m/min at an incline that corresponded to the incline
ST:STUDY_SUMMARY                 	being used by the training group.
ST:INSTITUTE                     	Broad Institute
ST:DEPARTMENT                    	Metabolomics Platform
ST:LABORATORY                    	Clish
ST:LAST_NAME                     	Clish
ST:FIRST_NAME                    	Clary
ST:ADDRESS                       	415 Main St, Cambridge, MA 02142
ST:EMAIL                         	clary@broadinstitute.org
ST:PHONE                         	(617) 714-7654
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Rattus norvegicus
SU:TAXONOMY_ID                   	10116
#SUBJECT_SAMPLE_FACTORS:          	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA01	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0389m_MoTrPAC_PASS1B_HP-PREFA01.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB01	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0389n_MoTrPAC_PASS1B_HP-PREFB01.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed01	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0389o_MoTrPAC_PASS1B_HP-Sed01-KID.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed02	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0389p_MoTrPAC_PASS1B_HP-Sed02-KID.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE01	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0389q_MoTrPAC_PASS1B_HP-IPE01-KID.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE02	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0389r_MoTrPAC_PASS1B_HP-IPE02-KID.raw
SUBJECT_SAMPLE_FACTORS           	BC49E4EF-E2FE-4269-BAF0-461F768BD95D	90217015905	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0250_MoTrPAC_PASS1B_HP-90217015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	0BD282C7-7832-4581-9089-08A32D557034	90218015905	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0251_MoTrPAC_PASS1B_HP-90218015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	955498F4-70A0-4D50-A2BA-619A8FED8FEF	90222015905	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0252_MoTrPAC_PASS1B_HP-90222015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	CFE06932-9314-4BCC-B2D9-73883D5FCDFB	90223015905	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0253_MoTrPAC_PASS1B_HP-90223015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	3719CB62-B551-49BE-94A0-E51DFE13D30D	90225015905	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0254_MoTrPAC_PASS1B_HP-90225015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	F65955CE-E49F-48C7-B861-02A2FDF6F9B8	90227015905	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0255_MoTrPAC_PASS1B_HP-90227015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	0559B193-BED3-4170-B045-10A2B6441CB6	90229015905	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0256_MoTrPAC_PASS1B_HP-90229015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	90CFE5A4-76FE-4458-A2B1-A66F0B60118E	90232015905	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0257_MoTrPAC_PASS1B_HP-90232015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	F0D83B29-8EFA-4CDE-B1AA-2358AC220ECF	90237015905	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0258_MoTrPAC_PASS1B_HP-90237015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	FCE9ABE6-B60B-4934-BAE5-56AF8B11ECEC	90239015905	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0259_MoTrPAC_PASS1B_HP-90239015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	1628FB23-6F66-47D4-8D82-63C87726F0FD	90245015905	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0260_MoTrPAC_PASS1B_HP-90245015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	69FD4884-786D-4F2A-97B1-6174FBD25D60	90248015905	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0261_MoTrPAC_PASS1B_HP-90248015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	0D5071F5-D166-4CF1-BE8B-EB4DF6E04C0E	90251015905	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0262_MoTrPAC_PASS1B_HP-90251015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	07AF7369-F082-4CA7-99D5-D973F4A162C9	90252015905	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0263_MoTrPAC_PASS1B_HP-90252015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	2479BEE5-2A38-4D09-B15B-B1715F561A9F	90254015905	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0264_MoTrPAC_PASS1B_HP-90254015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	0A4A7935-3AF4-463F-84E3-DCF07671509D	90258015905	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0265_MoTrPAC_PASS1B_HP-90258015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	04C84D7E-FC8C-422F-AE4B-CAFADB63407B	90259015905	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0266_MoTrPAC_PASS1B_HP-90259015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	F9BEE1FA-E2DB-4BE4-A79C-99D585D6FD17	90265015905	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0267_MoTrPAC_PASS1B_HP-90265015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	A77AC89A-1D9E-4516-9DA4-2BE99C8126EF	90266015905	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0268_MoTrPAC_PASS1B_HP-90266015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	2B969165-1A52-43AA-8FD9-39AFA62F094F	90267015905	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0269_MoTrPAC_PASS1B_HP-90267015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA02	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0269a_MoTrPAC_PASS1B_HP-PREFA02.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB02	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0269b_MoTrPAC_PASS1B_HP-PREFB02.raw
SUBJECT_SAMPLE_FACTORS           	22D700B9-EDD0-4BC8-8155-EB9C39417F81	90280015905	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0270_MoTrPAC_PASS1B_HP-90280015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	1CA4210C-3CE6-4A5A-996B-673EBDEB3B81	90281015905	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0271_MoTrPAC_PASS1B_HP-90281015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	9F3E1040-D409-421E-B635-2572DC20ED89	90283015905	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0272_MoTrPAC_PASS1B_HP-90283015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	569A9229-04E8-414A-A195-FE9E8F1B66AB	90289015905	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0273_MoTrPAC_PASS1B_HP-90289015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	E4271AF1-899A-4A65-9D8D-BF18CEE3F1CF	90292015905	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0274_MoTrPAC_PASS1B_HP-90292015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	2E37478F-525F-4E5E-A882-EE75FD0CFB29	90406015905	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0275_MoTrPAC_PASS1B_HP-90406015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	A9CE3E3D-31A0-4443-8A7F-8FD831D79248	90410015905	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0276_MoTrPAC_PASS1B_HP-90410015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	3D5BC47C-BB3D-45A2-8DB8-D7ADCD51997C	90412015905	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0277_MoTrPAC_PASS1B_HP-90412015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	89D6F615-D17C-4EB9-88EB-A602940FF179	90416015905	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0278_MoTrPAC_PASS1B_HP-90416015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6	90420015905	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0279_MoTrPAC_PASS1B_HP-90420015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	6D680EA2-C62B-4A35-8B6E-2ED6A79CB017	90421015905	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0280_MoTrPAC_PASS1B_HP-90421015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	53F914B0-FD4F-4340-84A6-48341EAB3798	90422015905	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0281_MoTrPAC_PASS1B_HP-90422015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	D350D633-8D95-4783-99F2-BB8294D2EC32	90423015905	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0282_MoTrPAC_PASS1B_HP-90423015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	0DBFEB04-1B58-43CF-BAFD-9AA9915B67F6	90426015905	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0283_MoTrPAC_PASS1B_HP-90426015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	10E282EB-1DBA-406E-BD5D-81027083A01D	90430015905	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0284_MoTrPAC_PASS1B_HP-90430015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	4E974304-21EB-42E8-A729-A7FB6B406E64	90439015905	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0285_MoTrPAC_PASS1B_HP-90439015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	6527EC12-E7EB-4F17-BF0A-0AC7CD1819A0	90441015905	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0286_MoTrPAC_PASS1B_HP-90441015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	AEB1611A-F29E-43F8-B9F3-A2BC4F9EB504	90444015905	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0287_MoTrPAC_PASS1B_HP-90444015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	FDA87A8D-3634-4C42-9A1A-0EA03B58BB01	90449015905	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0288_MoTrPAC_PASS1B_HP-90449015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	CDCFA3F1-07ED-4737-A36D-15EFEC325AA5	90450015905	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0289_MoTrPAC_PASS1B_HP-90450015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA03	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0289a_MoTrPAC_PASS1B_HP-PREFA03.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB03	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0289b_MoTrPAC_PASS1B_HP-PREFB03.raw
SUBJECT_SAMPLE_FACTORS           	B73AB139-7210-4498-9CCF-E1DBE6EBA71C	90559015905	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0290_MoTrPAC_PASS1B_HP-90559015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	EA5C8932-9325-4DA5-96BB-50CD49CEDD10	90560015905	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0291_MoTrPAC_PASS1B_HP-90560015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	0645F621-878C-4C9B-84A6-58862BAA17D9	90564015905	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0292_MoTrPAC_PASS1B_HP-90564015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	68083256-8DAA-4185-B446-0CAF600474B5	90567015905	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0293_MoTrPAC_PASS1B_HP-90567015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	6A013AA1-4D1E-4B75-B691-6BA22D928E51	90571015905	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0294_MoTrPAC_PASS1B_HP-90571015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E	90576015905	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0295_MoTrPAC_PASS1B_HP-90576015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	DC8B35E8-4AA8-4829-8569-F223D069620C	90578015905	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0296_MoTrPAC_PASS1B_HP-90578015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	8904857C-2073-4BBA-AC7C-1EC239E5BFF7	90581015905	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0297_MoTrPAC_PASS1B_HP-90581015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	1F9BD644-303F-43E7-94BE-FF6654306F5E	90585015905	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0298_MoTrPAC_PASS1B_HP-90585015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	0409BED3-F9FE-4C06-9920-74F5E5CA04A3	90587015905	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0299_MoTrPAC_PASS1B_HP-90587015905-KID.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed03	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0299a_MoTrPAC_PASS1B_HP-Sed03-KID.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed04	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0299b_MoTrPAC_PASS1B_HP-Sed04-KID.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE03	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0299c_MoTrPAC_PASS1B_HP-IPE03-KID.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE04	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0299d_MoTrPAC_PASS1B_HP-IPE04-KID.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA04	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0299e_MoTrPAC_PASS1B_HP-PREFA04.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB04	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0299f_MoTrPAC_PASS1B_HP-PREFB04.raw
#COLLECTION
CO:SAMPLE_TYPE                   	Kidney
#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               	ST002654_AN004326_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	90217015905	90218015905	90222015905	90223015905	90225015905	90227015905	90229015905	90232015905	90237015905	90239015905	90245015905	90248015905	90251015905	90252015905	90254015905	90258015905	90259015905	90265015905	90266015905	90267015905	QC_PREFA02	QC_PREFB02	90280015905	90281015905	90283015905	90289015905	90292015905	90406015905	90410015905	90412015905	90416015905	90420015905	90421015905	90422015905	90423015905	90426015905	90430015905	90439015905	90441015905	90444015905	90449015905	90450015905	QC_PREFA03	QC_PREFB03	90559015905	90560015905	90564015905	90567015905	90571015905	90576015905	90578015905	90581015905	90585015905	90587015905	QC_Sed03	QC_Sed04	QC_IPE03	QC_IPE04	QC_PREFA04	QC_PREFB04
phenylalanine-d8	1032157	996226	971642	1023484	946430	949940	1006020	966509	1046677	1065861	1046544	905803	1017521	1008806	957647	972331	1025145	983507	1131370	1035960	1034643	1037741	1014566	1046247	968930	1020918	1032157	1000331	974138	983046	1017613	1074192	976849	1034093	1058461	1078328	984545	1092218	1112671	1047846	954863	1027543	1060308	902179	1077602	1037214	899798	1152719	1032157	1047980	1107952	1069241	1071590	919599	917789	921715	967575	908400	1085159	884320	1018495	1024031	863405	859637	1032157	1058873
valine-d8	500766	501663	516998	510863	484046	494100	485493	492180	542695	527285	525200	441228	528264	500727	441821	478961	492003	495962	543602	510145	485775	512879	484392	514626	470990	501727	500766	487614	487284	467272	516271	532192	466928	499050	531864	530147	473291	541140	569804	524111	472996	523792	517755	460315	535201	532499	420531	569747	500766	513795	541262	523143	538632	452137	451643	454443	494376	426718	550838	434912	476331	483831	422846	408475	500766	512456
1-methyladenosine	101218	96858	88307	88571	116493	117476	62852	102838	99722	110304	96776	72630	118322	123708	132519	98782	116704	85382	67035	71295	117518	68363	79082	44352	76229	72095	101218	99459	87172	122166	119152	127611	106555	93491	87716	67408	124879	72321	159146	129916	125039	135733	112258	101027	141968	147519	99849	126967	101218	102865	136817	80248	92945	81497	70840	56464	89894	77646	92038	62746	133117	132170	114853	114791	101218	104901
1-methylguanine	3610	3852	3241	3043	6519	6272	2460	3351	2237	4040	849	2081	2270	4132	3157	3053	8911	3158	2849	2544	4732	4571	2901	2617	3256	2047	3610	3643	3356	5006	3376	3688	1619	2118	3265	2221	10023	4771	6898	3962	3391	3805	4492	2573	3211	8530	3017	1836	3610	3092	7827	1358	2854	2073	2064	2242	4975	2453	4375	2519	4292	4485	1485	2166	3610	3278
1-methylguanosine	8666	8768	12256	12827	19829	19773	6482	5825	8139	11600	10451	8402	9995	9902	11364	5756	6430	4947	5974	7089	10684	7774	5267	5793	7382	6372	8666	7493	6893	9979	8689	10524	7009	8382	7553	6040	9548	8784	13532	9165	9787	9916	9622	7751	12708	10529	9194	11822	8666	8893	7636	7488	6925	6855	7664	7655	7690	6024	10838	6148	20890	17057	12370	11882	8666	8460
1-methylhistamine	150093	148256	315888	307669	321310	313185	158181	203573	174644	279790	167101	201266	181303	217504	304360	255536	70975	83875	46484	123739	139361	42809	78388	37700	47275	58476	150093	147747	180046	324446	134795	243917	196393	115271	66738	52621	80686	41864	350046	196904	262949	356134	258990	171522	248341	295092	167578	273260	150093	153508	91715	47156	66222	79366	38991	44589	73698	50615	61517	61745	341722	345209	253773	253995	150093	147083
1-methylnicotinamide	1600786	1603369	1005788	999354	1808118	1756442	853351	2098117	1876589	2660481	1812042	1791826	1677886	2168502	2453905	1946255	1603973	815496	918864	686155	1992605	1578089	1584795	666690	1310742	1360535	1600786	1596678	1745366	3135977	1605231	2387365	2468182	1200087	937801	951831	2071400	1024809	2944057	2008846	2184379	3047454	1971102	1724212	1698338	2442632	1732775	1845189	1600786	1559663	1452815	507345	939364	1145907	1085705	822177	1121335	904288	1439120	869803	1069457	1061750	1481450	1433791	1600786	1632448
21-deoxycortisol	100889	94090	176129	178129	396378	410438	18073	98993	78217	88869	107141	73347	67910	93761	88624	104009	153345	117390	83633	68463	65915	47171	40017	68505	65159	103809	100889	93553	106254	96335	73628	135237	99993	196389	70205	130539	102436	79907	248351	196368	207660	138879	216478	87927	131274	73557	131774	199697	100889	97864	75530	43994	94766	107538	93747	68787	80485	73799	173696	68340	186155	192080	259894	260284	100889	108739
2-aminoisobutyrate	6636980	6773750	5243521	5472013	3719749	3741538	6948636	3738057	3523991	4181547	3384728	3504722	5285734	5143599	3956660	3458578	13154910	8050438	8835654	13330962	9871578	4533774	2950075	2641491	9505558	3438834	6636980	6300162	4918819	3137836	7139393	5371271	3667307	6002179	9519325	3733355	4779986	5447386	6455912	5099188	5504388	5083367	5555216	6571385	9468381	3226046	4136149	5349012	6636980	6841925	11573940	11575251	10740022	9764673	7733653	15461831	8651692	11342184	9384892	9142613	7131695	6750229	3842530	3482643	6636980	7084746
2'-deoxyadenosine	31335	29975	36079	37538	71404	69456	26406	25836	25778	45709	16544	22673	26243	26382	33526	17419	26910	15981	22333	22317	23878	27780	23975	25637	27659	21353	31335	30923	33995	30211	58677	45778	20711	20167	69702	21804	24797	24554	53741	31274	41864	36381	42384	31631	25623	32588	23412	48959	31335	30753	29320	54844	23005	20981	24446	24561	29366	25386	31678	24439	30346	29722	20681	18953	31335	31240
2'-deoxycytidine	1193814	1174218	1377952	1363313	1497077	1475559	1413672	1052098	1247449	1481818	1160366	1208341	1274798	1283865	1481968	1120770	1023199	855121	960913	1103911	1187176	948023	959733	843399	974890	934376	1193814	1178960	1141944	1321730	1463846	1524306	1248319	1079193	983660	867678	1025628	1201890	1611342	1280017	1446557	1472790	1522612	1362416	1408168	1119217	1124295	1481324	1193814	1187819	1164675	1143073	966753	923038	1058087	953248	1049730	893750	1298332	991527	1520556	1529441	1136632	1133453	1193814	1214673
2-deoxyuridine	1109	1239	2193	2208	2198	1902	1535	1138	1288	1697	1264	1941	761	1150	2051	904	1241	822	1301	1566	1621	1331	671	916	1310	1169	1109	1224	1023	1536	1332	1718	449	1323	1171	1165	1406	1433	1106	746	1133	964	1063	1038	1169	1041	1026	1183	1109	909	1237	1124	840	858	815	975	1074	1468	1627	1579	2311	2175	1276	1452	1109	1324
2'-O-methyladenosine	877248	907153	1318826	1316131	1261176	1334773	1042236	636308	741905	873487	1921433	671593	562878	1057895	790748	575360	643514	601505	725622	1090177	629561	811713	469845	659911	575867	551248	877248	799565	764664	616587	1051377	963416	409188	1085742	723138	638823	870319	894644	1133200	988372	854423	1117940	863378	764770	1127533	1221540	744445	911245	877248	860848	865807	1268408	646788	579526	599707	645928	767870	589384	881484	633157	1262163	1378901	870744	935943	877248	880833
3-methoxytyramine	1810	1666	2146	2110	5544	5276	1283	1394	2206	3261	2102	1899	2292	2109	2754	1726	1515	1179	1227	1062	1848	1427	1761	1048	1060	1183	1810	1779	1875	2644	2017	2831	1762	1916	1376	1338	2012	1468	2929	1898	1963	2536	2543	1806	2153	1680	1700	2603	1810	1960	1616	1112	1381	1380	1251	560	1359	1042	1736	1182	2416	2403	3510	3447	1810	1724
3-methylhistidine	1453825	1452053	1392789	1389024	1455588	1447441	1525278	1232534	1191859	1915193	1436117	1140476	1032884	1165526	1586797	1275767	1159389	1516127	1473565	1664697	1936463	2439731	1200951	1804339	1482628	1128544	1453825	1471693	2076419	1470260	1576958	1731081	1237077	1401134	1434624	2571607	2620975	1664036	1654933	1388617	1309489	1704222	1444302	1239792	1356690	1183940	1050663	1209868	1453825	1465598	1807428	2449755	1364599	884319	866130	945240	1104223	856296	1373682	1299834	1482040	1486701	963806	946354	1453825	1451318
4-acetamidobutanoate	155381	154930	204727	200898	305294	307553	146361	113596	113032	145252	109987	118698	161214	139294	170316	118232	174915	188643	120279	163703	176691	144132	128713	103050	131516	120357	155381	158888	117683	119236	186369	156930	132432	162472	165397	118059	167889	157470	243739	153524	188600	217213	193238	135294	197347	166901	133113	180609	155381	154854	167236	183368	174580	182245	172656	117715	144637	163766	191570	145798	256070	258492	230488	223625	155381	154241
4-aminohippurate	157168	152888	93104	97581	134597	136311	48546	70894	106763	88517	58161	85676	85180	100065	106184	57775	386207	183027	139827	188040	293713	154573	176107	132077	266360	143170	157168	153366	114418	124288	94417	149633	86766	169568	186441	190025	282064	140817	136562	104571	107031	151005	111980	95396	113042	195450	108699	99698	157168	152869	187788	154760	208508	233063	158964	176002	238430	322478	302071	197728	133405	129879	129182	133808	157168	161689
4-guanidinobutanoate	134480	132112	214189	207019	257863	266241	125080	133753	148541	233963	205984	241850	111348	117957	218242	159344	161764	149853	94355	106311	157088	168569	156317	183281	161314	249833	134480	135134	93706	138870	87123	198438	131070	220152	145412	162305	149937	153298	194885	94663	175684	178968	155312	99929	120144	148397	121306	118718	134480	132002	91656	133713	60663	107910	80496	69189	148559	64604	136459	90647	236866	238401	212470	204867	134480	136413
4-pyridoxate	341342	347490	1034836	1032493	1805211	1776114	212961	211701	241469	323878	286349	239659	351492	364551	470180	336268	472228	348482	232687	235827	480648	437052	371642	296342	325275	317346	341342	338837	209958	336026	266797	511503	285791	403752	471873	361698	555003	354165	506513	313664	568598	476411	331972	232773	425374	490276	366279	381493	341342	344156	331106	255126	250214	279466	234496	166501	369592	184206	323490	242106	1453581	1466602	1329099	1308998	341342	336612
5-hydroxytryptophol	32006	33524	50145	50265	59801	60378	53427	47223	47668	67918	48047	38229	57336	58072	54640	38817	47492	38212	49090	65590	46391	49534	45709	38787	40995	43577	32006	33914	32979	49045	57046	59293	28224	52658	52928	51941	48816	54751	55162	27599	42717	43688	30352	29860	49355	54303	32942	49164	32006	29124	55763	65686	50129	48498	28367	37763	52808	62668	59439	52900	58935	58804	47240	47941	32006	36158
5-methylcytidine	423840	419823	568589	547050	606501	620054	557587	336577	404572	555064	429011	447710	418420	473323	529537	407862	336175	321937	397084	462894	386122	364393	339939	396731	341309	337320	423840	414478	381987	413673	498987	534498	420269	366038	348794	341592	421208	547257	543603	422941	436731	509524	529088	445977	477308	392905	367362	505833	423840	426921	408311	401480	352640	330656	361230	364059	403167	277214	445271	345992	576228	591371	426711	424754	423840	412558
5-methylcytosine	318853	327216	287172	292012	397086	373124	236458	164368	256372	493811	239191	304795	166160	203874	257030	161745	354336	245430	385627	424811	502213	435889	363303	363637	410567	402418	318853	313455	332888	273134	250223	377005	220192	383207	353668	290613	472106	663398	328061	152412	235149	250024	290340	164312	202864	194292	184197	202108	318853	313993	432125	418194	273473	307045	319580	286067	372688	257544	507594	289875	353944	339504	207778	205237	318853	329235
7-methylguanine	141460	144500	175267	179715	257694	258236	98722	119415	120985	183489	133142	120895	162081	165802	180269	118845	183248	114768	102107	115274	207016	113834	112964	69568	115606	106479	141460	144742	125125	194074	162276	207908	144857	151313	137452	95756	215107	117432	235779	143929	158151	185693	170604	118077	201613	227698	122179	167836	141460	144163	180209	116196	108765	108926	115552	79446	131395	108286	160536	87543	275090	265367	187673	180231	141460	140069
acetylcholine	56671	56146	34034	34953	62771	61256	64589	35450	48633	56510	24976	45465	54296	50923	51499	29607	44179	45836	71041	66753	67606	54807	34445	51139	54062	41264	56671	55917	37691	33296	56614	53962	41982	45470	86334	50035	55323	78865	68277	37531	44449	54822	62004	52801	50378	46660	34569	62889	56671	53683	87171	135245	62624	61323	62628	47328	70229	48865	90934	60043	36988	36564	42685	42104	56671	58552
acetylcysteine	37557	36670	20375	20437	26537	26168	6576	11018	12496	16875	7983	9128	14503	14845	15175	9172	113401	45391	30462	68005	86525	34609	44954	36790	49092	22548	37557	37451	23076	37258	22726	38402	24032	21347	32962	68881	77282	30813	25120	34941	11169	24472	40306	25214	19398	34458	24403	34829	37557	38421	69223	52467	82785	54589	46110	35520	73283	62207	86682	45835	27101	25357	22003	21396	37557	37955
acisoga	11258	10832	32507	32773	42007	41697	10949	5105	6539	7922	4326	5180	8585	8510	10010	6283	15845	10502	10989	16167	20831	11113	7249	9072	12765	9087	11258	11369	6615	8277	11526	9496	7003	12719	17310	9471	18536	14631	9752	8529	10803	7943	8486	7649	9474	11472	7535	8657	11258	11570	24924	15314	10667	14332	12822	11769	16468	12464	17846	11722	47353	46854	34742	34614	11258	11527
adenosine	13725010	13753807	21358858	21202268	31269127	30987893	12254852	8867084	11267731	17030889	12943763	12165815	13096612	15742577	16682666	11103659	11545020	10355987	12018459	14075704	14389340	13253095	9468077	11482206	10706865	8829433	13725010	13865509	14049164	11735694	18428849	16574760	10679557	16874921	30664868	14067025	14045774	13341220	20122994	11427318	13624374	12466960	12383542	13342262	14564000	10427663	10658149	17659497	13725010	13692684	10644394	27902239	10792115	9831505	11973042	12167476	10652721	11232107	15475092	12463387	23169332	22889633	17687490	17406194	13725010	13659979
ADMA	47050437	43205659	82632037	83762931	35508853	36146241	31454285	14619622	27316615	24878864	166180947	20891341	15440590	50143729	35705892	22722194	38165014	55011913	31598797	66887552	41780935	29193505	23155843	23851221	35680671	27180196	47050437	48633745	47636916	21869524	28666975	33135515	25125412	105990026	30415900	36622653	49199301	61331402	83861464	76075475	28209914	43190147	44829106	24495415	163907067	43792735	21026680	75751231	47050437	51126214	45623334	34260413	55134490	72668857	27720685	47784189	42786085	35543632	50740750	33556082	70120804	68343829	35145265	34292853	47050437	47392522
ala-ala	32165	32525	18979	18967	19220	20231	16374	16586	15141	19624	20313	12535	32232	25026	26344	19361	52223	39209	33293	45893	46210	14175	12126	9035	33283	14993	32165	31160	24064	16428	75416	31873	17774	32184	40639	14437	18681	15535	49109	31469	28704	40094	31314	43840	43741	16659	17897	38092	32165	33830	41820	40635	43813	46425	43008	50065	33499	80669	54294	53211	15284	16034	12606	12429	32165	30907
alanine	431168	416465	441929	441719	415472	417174	403843	338412	445441	496118	589953	512852	445603	456596	434630	309972	402225	339829	328928	429213	439770	446447	370107	402393	351134	366324	431168	414564	418194	468880	441026	423358	333683	455983	351576	434298	532718	486051	531156	414656	507375	421761	537026	405131	516162	328988	330070	478388	431168	450583	451740	491561	367442	409617	320782	328157	378707	298028	438749	314998	479675	485166	370290	366475	431168	430742
allantoin	349075	351773	549362	548576	1647569	1642428	282899	340974	333379	415487	324902	348243	356674	343939	417025	329318	407317	307172	294380	345951	467016	343323	287832	233998	295217	261314	349075	356478	298363	434784	331369	407588	342254	362403	358935	271494	472148	344277	472854	339100	390541	406172	416875	307312	433521	461028	324241	343984	349075	348459	458799	313380	317007	307610	306927	274060	372977	287153	396618	298479	786168	776049	1289303	1255128	349075	352214
alloisoleucine	46281	46097	69319	69961	73092	71572	51018	36061	44900	53196	57092	54572	46137	47711	53079	45364	39556	37258	39922	45900	49672	49682	42524	39236	43038	41945	46281	46317	44437	47292	49464	58560	45326	49056	43092	39586	43455	60101	69458	48266	62538	56493	54528	48665	60374	43179	42003	55507	46281	46589	46259	47880	41782	42276	42137	35565	49269	31961	48812	37890	81261	80057	53135	53233	46281	44670
allopurinol	67895	72127	82530	83969	113370	110260	262679	47205	85311	71442	40509	113419	69196	79103	37854	28301	89410	44956	117866	168703	84997	83795	39886	95670	98408	65243	67895	70218	56053	37815	61539	54904	25413	41837	87654	68563	61480	106070	58498	38300	46847	38728	39591	42602	51444	57341	37464	53618	67895	68978	93857	113458	62643	57043	48750	100585	78190	43640	56145	56341	83459	89424	81038	77742	67895	64104
alpha-glycerophosphocholine	210596617	210962076	194197531	194251013	221767136	220782225	172356953	181753019	192999667	210412104	133255826	193086565	173616375	184991338	208794719	182870041	255324083	190091866	183095081	215658919	244737442	243035016	179738659	192582629	208615717	184389609	210596617	212685710	188073807	218951594	230566493	213966442	198304552	215677892	227111265	238787748	286340716	240590584	229165843	201333463	228193983	194457489	228806023	242061824	154653252	183596104	195862773	180004849	210596617	209741795	276154256	234743915	200717241	193535617	185426640	181589484	245573517	192875884	221227485	198127291	209124293	209795773	269743922	268108306	210596617	209376318
anserine	28015	26262	58060	59345	102625	107625	32031	35609	26791	40602	31230	43388	34121	33175	42183	32409	16650	13903	17332	16248	22327	21962	19882	16005	23299	23359	28015	28963	25742	58304	35063	37581	40352	29003	20411	28241	21816	25618	48071	40651	46838	34488	38671	26563	38263	17936	40031	49897	28015	30520	15423	17094	16402	15032	20167	15217	29419	15926	25702	20755	75705	80042	67006	66909	28015	27035
arachidoyl ethanolamide	13003	10687	11371	14252	12190	9148	2181	4752	10428	7647	24732	nan	4936	9348	10514	15491	8974	12169	14062	15491	11911	8059	2658	10265	14954	14839	13003	14372	11058	6120	19271	15931	nan	12877	15574	17247	7195	16406	17613	8882	12373	10198	14113	20130	16475	20733	617	9993	13003	9581	14140	10370	26592	4263	1035	3098	10014	12143	15110	15867	11434	11045	7381	6454	13003	12858
arginine	7852860	7829699	7980620	8038670	8429896	8430390	8194358	6830477	8345740	8405576	11142324	8806216	7681722	8289151	7630275	5948338	7564154	7759245	7453615	8046914	8810025	8506930	7490836	7274517	6787415	7342706	7852860	8026566	7898607	7322945	6469179	8483230	8025417	8482250	6805001	7226126	8736773	9219745	7809436	8628015	7212452	8404016	8448417	7790781	9928840	5717211	6634266	9977679	7852860	7777983	8008276	6027969	7710928	7422058	6470789	7423938	7887926	6293257	8811279	6985068	8133251	8188491	6950098	6976569	7852860	7899632
asparagine	188837	188819	235503	241354	241749	241248	217998	140174	179803	200807	406717	201314	202181	228807	200690	132195	164116	171544	163418	232789	157725	170836	149151	172789	170045	161894	188837	185645	164272	188996	192967	197070	146370	222547	158565	148404	206636	244302	236770	189299	193740	179094	218608	159153	317040	147907	125784	226695	188837	191589	174640	192335	179738	175660	129128	151994	187112	122600	187694	159329	244576	249312	193560	194542	188837	189281
aspartate	577883	579741	673552	688894	567437	570518	623220	396190	511823	561461	748920	488624	510284	607936	588934	468277	524336	602583	568523	718055	552596	572305	463270	643060	617229	540382	577883	567115	494029	563311	522366	566462	477474	744147	570874	488333	703291	758275	573614	510833	570355	505991	686453	491343	810620	423640	359157	576066	577883	583853	728777	732157	637539	607307	487652	635673	618344	463121	634905	531391	825106	835405	498679	502934	577883	585460
beta-alanine	24572646	24419215	22112872	21794763	26196602	24649405	28936798	16518229	22255916	25464462	21033500	24285137	22761899	22553283	23552118	16232634	26795391	20149832	23965211	32276095	26074336	26700516	19806220	28094124	27383750	21156795	24572646	24478470	21136282	22256737	24555160	23160389	17063651	23534290	25418917	24192818	28883029	31836385	28938829	20759227	26186358	22227681	26495102	22211761	23068968	16782193	16442643	23740865	24572646	24292772	30451096	29957123	23835423	25276133	21222394	30367069	28033665	22341368	32200598	23210122	23819215	24507967	19008200	18779704	24572646	24532423
beta-guanidinopropionate	442551	447612	676460	669975	742759	768482	398770	397491	426489	534553	465991	300374	372861	579757	531415	636435	281377	275255	384408	354247	449978	391637	270225	331978	353677	306616	442551	445820	996407	411201	592036	723252	396259	449828	485491	410068	494998	535676	663856	404360	471377	619095	538482	464323	594367	457980	443473	429399	442551	439663	328318	372568	300586	249977	266494	296047	326509	302056	537118	506392	787583	782498	533742	527006	442551	457203
betaine	101249673	100756350	104380413	104259887	101643617	101092970	90944263	85960089	100083482	98028611	88028771	97980633	89569332	95251322	98316250	95660711	104451028	100744891	88824946	112000490	99871248	105163255	90212472	104025518	119820154	103539294	101249673	101187795	94907084	100273351	102000652	92784933	90742574	105417940	104387614	96041844	113070643	116717464	114092136	93585559	109849083	97489974	112362285	101327121	97115677	91096124	89444586	87580485	101249673	101052252	100870185	117221751	92058729	104127043	87605894	85765772	109091632	94215584	96320254	95411895	106069751	106232387	95026384	94612722	101249673	100050413
biliverdin	3373483	3422869	4179117	4336323	6547325	7094109	2786338	2066045	3790962	4649998	2596780	2817051	2310092	3419738	3638690	2674064	2700537	3019434	3059123	3393950	3263464	4054588	1861755	3712325	3189620	2346403	3373483	3297942	3319057	2434309	3513688	4284738	1786437	3127166	2523263	2659181	2982912	4590550	5170877	3535550	4448040	4437873	5108995	3999460	4211763	3141427	3170992	3594438	3373483	3315593	3616849	4172197	2653159	2892766	2348980	2533305	3360237	2830624	4348200	3200165	5349898	5119292	5638065	5709392	3373483	3453654
biopterin	28040	28440	28447	28578	47983	46822	22310	24815	27907	31796	22829	21433	35769	30724	27982	20440	29790	23852	34551	25849	36584	26712	29294	18788	21262	23569	28040	27892	19934	26697	23815	33325	23227	25593	33735	27723	35512	31479	33942	24198	23217	26212	27708	21216	35931	33624	25421	38258	28040	27488	32427	31189	29507	22120	20533	18053	25268	25254	35977	23079	39161	39382	34222	34198	28040	28053
biotin	24095	23566	14027	17524	24403	23608	11517	7186	9398	15289	411	13244	5922	11912	12768	7976	43759	24575	49712	36734	40551	32465	21701	28895	31890	33257	24095	25304	10206	8256	14394	16051	9747	49133	36422	22332	47450	38517	20840	4370	11391	17135	16601	16287	10731	4626	11781	10973	24095	25205	33354	20885	43746	37092	32942	33838	41169	38099	56350	46518	19592	22072	9061	10378	24095	22451
butyrobetaine	4040993	3980710	5387792	5333678	5867096	5892715	3606665	3594767	3729968	4600229	3527729	4056938	3105430	3723365	4422648	4176316	3593431	3229947	3869038	4383755	4638912	5047695	2622905	4040695	5046269	3281488	4040993	3981960	5124878	4250700	4640592	4464914	3902673	3873221	4310991	4139222	4670325	4218600	5447918	3779218	4377691	4453407	4218719	4017934	3550384	3550588	3553743	3317246	4040993	3971160	4057120	3901599	3269988	3621415	3016364	3326227	4386908	3253899	4268677	4251218	5553841	5538106	4788923	4779431	4040993	4073390
N-acetylgalactosamine	48212	48412	61251	60875	87623	86591	85415	32744	44659	55730	36417	55088	64912	52039	46570	29808	48479	29971	55195	76464	52603	41299	40734	58539	45785	42672	48212	45988	32170	40734	53853	50179	33841	41714	41677	37219	50039	68019	59438	39483	52977	43462	48747	38604	42524	36600	38427	47745	48212	48403	57835	47033	38085	34962	49716	58825	53626	34332	60194	39169	71021	69759	54960	52981	48212	46891
carnitine	107607362	107192968	133294569	131895054	130620746	131047215	128677676	95116066	109246446	134604429	127367923	114226063	116650745	116345939	129216232	109314988	90370435	83195792	90361772	93511774	95615160	94592735	88734822	97381520	93262560	90117243	107607362	106906721	116647336	122301643	120522760	129137633	115282396	97247636	92090176	84675710	102313926	111190544	127076418	108332370	118115422	122434769	132227895	112479952	117499346	107278900	102238154	126884594	107607362	107028044	91657534	105170061	79761672	83080011	82981096	79556476	92366413	75741477	94454383	88790098	135814608	135846618	109387372	108532229	107607362	106960453
C2 carnitine	93859350	92723894	109371448	110481389	129780801	129855705	122015355	80843394	89685259	123519509	85565167	97064327	98517470	92161341	112571072	86892081	79199137	64625038	85965211	83296652	89022836	86395366	81736896	88326279	88506722	82616912	93859350	93065424	94911530	105080624	117709249	121267723	99177494	67825220	72796313	69096282	89836800	109669538	118810180	94092460	101352644	105857245	123271855	104537057	93350349	88636384	78203853	108344519	93859350	93770305	84756955	77057132	70355970	80008142	77755901	66761683	87968542	66099786	96418794	78287443	108546927	109981756	90145645	89719273	93859350	94954740
C3 carnitine	3544857	3614139	6340415	6335125	8958819	8998957	3383965	3909935	3551839	5627859	3762109	3341211	4446419	3951290	6492470	5475236	2744870	2612026	1931716	2030022	2646849	2960111	2799550	2233533	2822232	2946216	3544857	3598905	4821329	5739578	5967833	5906786	5695953	2530616	1511003	2265899	2598396	2761503	5147892	4664981	5187932	6646062	6368142	5807566	4679218	4284280	4523638	5390578	3544857	3546099	2171999	1445519	2581842	3100981	2245865	1907004	2321718	2526851	3331901	2762774	6492251	6524361	7161711	7115962	3544857	3587751
C3-DC carnitine	46377	47483	47904	50184	73292	75181	59557	40041	40671	69759	39626	37853	59039	66474	66220	41538	34811	30783	38823	39549	48576	37315	30182	30320	35510	23808	46377	49819	54885	47897	74145	77721	61600	36682	29976	34306	45108	53491	87154	66805	62209	76460	73882	66456	65401	43034	43847	70320	46377	47343	42454	35808	37230	34587	32152	24452	38002	25601	48832	29700	46467	48131	37985	34649	46377	46700
C3-DC-CH3 carnitine	72374	71926	110040	109442	141188	140309	42609	42897	62740	131294	84841	65866	70920	76479	133271	83546	55024	36517	22347	26117	55704	60940	59956	57415	44750	44936	72374	72586	101251	107784	77335	104750	78186	60150	44058	74681	88532	82278	133861	70883	142386	142606	170454	94980	90803	89385	81260	140244	72374	76482	65269	72096	30554	40643	37896	23815	47708	26276	52613	34225	116936	119302	132285	128930	72374	71053
C4 carnitine	11120078	11206688	14309379	14013201	23093930	22910790	18700361	8878470	11799304	17089529	7683230	12880297	13265079	11559747	11665854	9316969	9631762	6604717	12777970	12536920	10553551	11353200	10064195	11135491	11583467	9843184	11120078	11012397	12241775	14104594	14969734	16030059	9224573	6482936	7985303	7629626	10091328	16600565	14644099	10332621	14532715	11724964	14593803	12013455	9215891	9946320	9494456	13470249	11120078	11329321	9597727	7173902	7119749	7073637	7571675	8830999	10796493	6564427	11235422	9534346	14106163	14183241	12331597	12162860	11120078	11095345
C4-OH carnitine	661568	636199	452128	474100	444868	442906	617694	468379	706686	1047259	1074669	879692	585715	648125	878514	652761	569239	285417	376652	221683	551146	703799	893414	833161	352346	642086	661568	654982	921682	1263474	701509	864166	884667	547615	502322	765937	794532	613155	643007	503968	768754	707070	869382	504626	684473	654822	709680	1168742	661568	654055	491493	513788	270331	385869	487913	333820	335827	285086	557600	375014	426350	435717	299213	311393	661568	673618
C5 carnitine	3413972	3382838	5190880	5233083	11752797	11697447	3923343	2666240	4273175	6693594	5044417	4018961	4197788	4101181	4889673	3693525	2477700	1822146	2193941	2321503	2622166	2874866	2735196	2521529	2490708	2583713	3413972	3383231	4659596	5423700	4654882	5738854	3240442	2420288	1963216	2203345	2842595	3176687	4709629	3403969	4767858	4694545	5885305	3641675	4278041	3431170	3282047	5532280	3413972	3336358	1914103	1735680	1823648	1848214	1679565	1700946	2222975	1591971	2879694	2361835	5770242	5868543	7364577	7263146	3413972	3415036
C5:1 carnitine	96943	95843	147185	150013	310367	304829	116090	63472	104966	126185	92354	87370	133690	102541	125231	87506	82990	59756	74529	75129	81180	97989	77317	99313	91132	75245	96943	94532	105220	103796	129155	135150	80736	71870	91297	74311	86673	112424	139159	94487	130946	127495	141052	109091	110923	85679	87577	142172	96943	96403	75158	92773	65011	67665	62339	52235	81344	52676	106226	79842	163785	169168	190371	187358	96943	101040
C5-DC carnitine	77358	90442	83193	84851	172784	163666	51605	91458	98155	171416	47212	75902	112492	78675	92989	96240	38322	36536	34903	31836	97947	44448	59167	41098	44397	59157	77358	76961	80748	111528	128915	130670	108471	34028	32302	46920	43811	62692	134650	102238	117429	130376	150758	143667	112335	84160	99428	136282	77358	72304	41742	36081	46718	46593	58287	27652	48970	51143	91552	50999	72056	75329	93363	91932	77358	77672
C6 carnitine	302019	304236	228362	234865	233710	233842	553915	426563	365674	262214	282336	292270	429031	336996	217670	429480	328834	325611	412843	413859	200697	243350	338914	406478	373718	364182	302019	304606	315343	308219	340616	290749	257190	162226	321676	297046	225817	269489	325905	419467	354448	253542	290207	338078	340409	725484	408498	394188	302019	293583	246959	208344	310615	326867	235292	381417	365449	372196	209386	317732	229568	230694	328524	330973	302019	304372
C7 carnitine	176947	174521	244770	242255	563447	572925	142122	117257	143640	258088	201137	197896	193285	169539	164279	161082	157703	91629	124032	91703	154099	179746	170663	175617	118913	172555	176947	173506	257190	258369	185314	273650	203976	158844	153431	196301	185239	231137	343757	186381	276790	219524	290736	159103	190322	141623	152082	340087	176947	173091	92138	95415	78085	95946	117663	106404	110922	88871	178494	105246	230641	232625	280061	276780	176947	179776
C8 carnitine	292956	293999	302879	306447	688131	689771	280557	223321	239501	471123	213944	273259	259149	294215	273670	221253	278962	183545	294422	267500	300734	303683	231153	320545	269367	315309	292956	290086	251038	252637	337653	365889	255502	267704	298629	237561	311278	467245	492994	242255	379976	327654	432621	310519	315437	269843	196924	493333	292956	296803	223989	237246	209719	232217	230654	252272	284170	199458	446918	230690	314706	311502	328158	322947	292956	292442
C10 carnitine	166861	164166	186127	182202	377002	370536	161200	127069	134252	222921	66463	123944	158677	169849	180291	138078	143761	142580	205133	218449	172236	170434	121454	185679	236115	148531	166861	173406	137665	118280	227260	196533	142007	126681	209591	112434	185090	329186	246315	138425	167864	147757	256904	202981	160673	136371	103137	215173	166861	171014	159339	246559	156539	151913	132461	128634	192466	131311	230505	146859	236937	251805	222010	223656	166861	165665
C12 carnitine	412978	416781	347220	349447	613937	611285	365833	298003	295501	592534	152617	270994	389375	423061	426603	341753	395837	402827	531150	572223	425303	398879	290193	497825	613200	346209	412978	405029	330898	281874	561762	519318	336620	312957	431339	276039	479404	808659	593910	334991	371083	318771	662219	473054	377322	311986	230910	437167	412978	411158	458855	534119	405748	401348	334098	362621	508806	354880	593640	369050	492690	507079	380279	387979	412978	395974
C12:1 carnitine	76402	74743	69392	67821	156270	154447	54801	51679	52284	93069	30666	50769	56834	73221	87938	58552	63758	72919	77949	92503	72711	73867	56957	84320	119255	68091	76402	75760	56179	52951	107257	88625	62372	69346	74254	52403	94041	133043	119329	58735	71365	65340	128957	95035	73501	59562	40976	90290	76402	73165	79709	94205	86793	81204	60198	54252	97647	66178	132904	66940	101794	103435	98689	92484	76402	76542
C14 carnitine	1558569	1572308	1420222	1384722	2426654	2445636	1562563	915588	1051735	2000983	818301	1066179	1403111	1604465	1508845	1114901	1318773	1494575	2290580	2715109	1576423	1585695	1098791	1913894	2130000	1264304	1558569	1518616	1125379	910097	2100837	1805185	1105928	1263293	1639271	1141426	1674834	3305044	2067460	1154045	1226847	1155311	2185986	1610946	1672954	1110612	772840	1748297	1558569	1549096	1799775	1985834	1717276	1430355	1235271	1374301	1936314	1267124	2329411	1399222	2179474	2215706	1693884	1731686	1558569	1565979
C14:1 carnitine	601087	601884	517269	513278	964410	972680	519507	416348	413912	804721	322661	358758	548863	637403	643537	463995	553346	622526	726451	1000832	620667	529654	418318	639903	873652	493730	601087	605934	467958	383705	849214	674755	449016	574949	532132	442173	665679	1098173	817590	474789	509944	448424	932752	695138	625619	440606	320482	678111	601087	594841	695929	690066	755173	639968	501513	501805	748223	589928	966545	552827	920269	939343	738298	749807	601087	603781
C14:2 carnitine	185474	181374	212881	212221	335889	344467	172956	133410	135985	261936	126480	135103	188400	209612	232123	148886	162432	157227	193000	252723	166936	160563	140405	185583	234723	157668	185474	184288	153052	154754	283135	230359	169906	178666	153414	130093	202048	315403	283311	159153	175605	157668	306468	211658	201394	159468	107905	232760	185474	196046	208366	183697	216440	196519	150187	130730	222549	147275	282027	164527	376814	374533	285202	287190	185474	182102
C16 carnitine	3972023	3889760	3410644	3445708	5803662	5824331	5113940	2722223	3017808	4321446	2135501	3234509	3499303	3796656	3260958	2953456	3777605	3683286	5833698	6431894	3673344	4020084	2976433	5319450	5693223	3429700	3972023	4023711	3043837	2578617	5042529	4136251	3000573	2795125	4718608	3122957	4414582	7019354	4197042	2993635	3204387	2737238	4806979	3982755	3986042	3273885	2500263	3998757	3972023	3903276	4672857	5052511	3865106	3601522	3664676	4427597	5048294	3512396	4797136	4173203	4344772	4258598	4403426	4270239	3972023	3956985
C16-OH carnitine	202582	200044	163503	156024	357561	355195	191657	143016	139555	248496	181090	148811	203263	215470	214992	144999	173297	207111	279014	268225	238686	194822	142748	176810	267139	176997	202582	207764	141901	124666	254137	281127	172564	195904	204336	131183	213563	348373	279798	151996	167407	171177	290074	232300	261243	136707	115807	242280	202582	199388	186591	230597	225141	197849	164940	125070	216474	169709	330547	187866	247284	250973	249693	250638	202582	202735
C18 carnitine	1594873	1573437	1511026	1454747	1807838	1816025	2748630	1282503	1480789	1567505	1003987	1513441	1736497	1672442	1066151	1119329	1597829	1370251	2637391	2913612	1423648	1697751	1210301	2310384	2190516	1371097	1594873	1636799	1190996	971678	2036953	1575474	1216416	1081704	1880449	1198472	1426761	2830195	1489733	1365392	1313473	964910	1546013	1383868	1306226	1536116	984092	1520797	1594873	1586146	1727443	2066471	1498712	1371992	1325441	2085148	2089724	1447148	1708375	1658560	1687343	1687235	1643524	1630416	1594873	1674244
C18:1 carnitine	1995137	1934417	1702057	1679007	2770162	2795684	2515102	1511973	1552473	1927357	1466868	1618655	1835378	1756687	1423062	1422574	1992903	1843183	2817318	3378226	1827735	1928863	1540882	2766637	2884445	1789143	1995137	2025473	1351071	1205654	2273360	1735065	1477267	1444835	2331024	1721263	2059513	3373912	1787310	1518815	1537254	1175004	2231481	1914969	1849861	1888983	1296343	2056785	1995137	2018781	2456927	2740777	2313968	2125432	2011204	2757970	2768559	2266343	2636483	2124568	1892297	1894121	2217704	2255408	1995137	2007940
C18:1-OH carnitine	162325	154259	141068	133648	319314	344396	140007	113135	114105	205195	143148	109914	148189	159398	174658	112600	141815	161034	209293	236686	180684	147375	114417	151481	204504	140642	162325	165017	102878	97738	192895	199109	113755	155427	151871	108712	164225	267669	212042	117715	124080	124085	215308	182506	202557	122050	86587	197053	162325	159165	148796	187485	193964	166742	132754	116162	184120	162081	300348	154386	209763	205749	245640	240021	162325	159201
C18:2 carnitine	1429629	1448093	1592689	1634694	2536178	2534971	1874350	1185041	1432671	1765426	1436508	1577752	1382981	1432239	1146746	1018060	1340727	1158451	1755486	1873074	1263113	1416235	1177571	1828737	1877093	1254958	1429629	1460690	1232237	1272130	1949243	1485725	1192031	929200	1618790	1241888	1627773	2268745	1480702	1213834	1267897	961482	1647307	1491186	1406776	1458207	985387	1545798	1429629	1421634	1603904	1603263	1320028	1261823	1192844	1497717	1746947	1244946	1696579	1372881	1578094	1577239	1784048	1805079	1429629	1414544
C20 carnitine	462251	481004	461573	449306	566859	556412	1055753	318435	458492	510503	331528	500780	463550	475350	319079	317729	444169	360535	753455	982293	435718	487500	303595	717385	612428	364923	462251	466133	357556	311203	522923	454900	295711	334338	500003	326868	447177	883334	560326	388726	409307	296018	505763	398398	392706	378805	287012	417227	462251	478887	530386	727676	392329	378817	349833	634178	609678	319631	460062	398318	550597	550224	377881	392296	462251	447859
C20:4 carnitine	1776970	1709904	2450000	2430392	1993433	1947914	3334508	1473299	2056868	2498863	1557258	2191510	2766661	2359331	1695815	1481971	1596144	992136	1598014	1703844	1158079	1304905	1151489	2270835	1753578	1112212	1776970	1759707	1594475	1666978	2795124	2390794	1898948	904486	1765333	1040214	1253755	2266851	2444800	2099699	1943246	1516303	2359218	1544782	1608300	2353412	1147294	2324254	1776970	1755764	1557986	1910737	1115416	1013056	1119421	1484502	1761474	901951	1388467	1488539	2506738	2508621	1589613	1642170	1776970	1819595
C26 carnitine	630523	595857	571503	581394	801698	792021	783699	542985	648324	973732	779510	611285	875450	915484	871248	680491	387271	362467	337616	392629	398847	346089	377572	415566	404987	344324	630523	617442	724531	697763	925709	1154422	740362	405432	403847	361152	403475	514664	1098931	845573	970029	979815	1103816	872374	1039020	735247	687600	1505114	630523	617093	339896	391837	311471	301790	339288	260275	382818	330695	425752	364716	617262	613591	551895	541289	630523	652956
cadaverine	20794	21538	5881	5417	7617	7134	22545	56869	37927	49520	32016	26085	19876	32249	23100	34471	3163	1608	1959	nan	2157	364	7339	nan	794	8388	20794	20750	46929	31388	26404	47159	25668	10311	199	nan	382	nan	53387	38825	25787	46998	37960	41286	18130	21433	47819	27282	20794	20392	6164	1700	174	2452	8758	13795	96	15924	7819	560	6281	6449	5617	6045	20794	19839
C-glycosyltryptophan	33655	31730	28031	26928	40592	42092	24230	30477	28534	43801	28508	28146	29145	32135	34138	29317	35086	29387	37888	39113	43127	36216	27416	30635	34218	32054	33655	35525	35718	34762	35138	40881	19870	35514	33526	30875	39975	38747	44008	30915	35663	37462	32991	35854	34982	26687	21993	39216	33655	34835	38819	33735	32195	28648	29276	25333	32039	29609	52476	32826	33574	32042	31798	31706	33655	35480
choline	26774380	26683187	29341878	29018408	26916434	27235579	31381336	18179935	25637731	25178438	34153369	26142293	27683255	27400118	26264269	19203069	25474065	28858611	30502601	35397891	27117882	26647557	22136401	26265108	24754520	23372402	26774380	26656864	20977023	20944616	24101190	25559528	19496423	33515845	33594260	25961604	28033223	30767230	26307413	21636928	22338522	21347406	23477964	20758773	32371652	21706172	18514455	28695563	26774380	26856030	27763681	38429342	27865694	22472131	22478836	25495032	26260153	20629505	26421290	23569167	33500951	33723535	26726744	26327346	26774380	26628410
cinnamoylglycine	27903	28512	39548	36112	48394	48097	11382	16088	23081	22217	14262	6029	32843	19803	39424	8021	64716	44448	25536	35025	51239	50234	36423	18730	58142	43849	27903	28731	15580	21208	16445	28333	22929	32586	41331	23040	66402	42872	23077	6926	393	9539	17973	15820	28259	32160	37975	12580	27903	28115	24312	39022	11551	51147	22347	12227	54181	19214	40325	41923	63497	63145	35173	39732	27903	28353
citrulline	154187	155670	111193	112892	108424	108787	98708	110607	140808	150325	107341	149346	102596	133765	128594	114758	209325	138787	115814	161982	181969	166728	135742	159938	194749	134601	154187	152595	118135	163928	147090	134192	120928	166985	168187	143941	248949	182112	190213	139253	196451	168244	169331	135322	117021	102068	123844	120976	154187	153466	194366	204449	166648	200534	142553	121829	211463	145555	194802	171954	126185	128793	96222	97742	154187	153959
cortisol	4095	1909	20871	20683	22119	20729	952	2011	1929	3395	3605	2842	387	3833	1076	4794	18370	6736	3022	3285	6469	878	nan	893	4516	5763	4095	3587	6695	2153	1386	8015	1357	17912	5380	6889	5118	5321	9851	5670	5213	3816	6257	3417	4019	3685	6342	7299	4095	3204	3810	643	4610	7830	6756	3960	5581	6790	14855	5131	26906	32604	16666	16643	4095	4211
creatine	7424731	7535071	7865722	7835582	11211664	11271696	4833809	7083144	7421568	8005824	5334657	6704860	6599342	6822816	7317102	7098056	6985681	5799336	7088825	6466272	8501787	7377945	8454365	7085045	7293927	8749385	7424731	7490149	8223853	8685138	8582158	7857162	7080015	7018077	7205054	7370757	9443515	8706429	8000918	6897906	8478101	9247812	8602193	8221903	5466980	5721681	7419005	7217714	7424731	7491120	7899210	4962685	7328539	7471445	9113972	8086320	7448573	8628067	11455707	10992875	7721258	7664375	8442300	8440467	7424731	7438987
creatinine	2227023	2194842	3085314	2996856	4346535	4103116	1722693	2367366	2016036	2510073	1944959	2144221	2480004	2322902	2250398	2228907	2481578	1893966	1757898	1873156	2587597	1791687	1675173	1269195	1811115	1612630	2227023	2250503	2094405	3106048	2261756	2645405	2187406	1925378	2105584	1619111	2991626	2049705	3039539	2514963	2275381	2322765	2371752	1830239	2803936	3654498	2141620	2076809	2227023	2203828	2713463	1865881	1654330	1754303	1668112	1553978	2060383	1661535	2135130	1566609	3939865	4050637	3762195	3711759	2227023	2279425
cyclohexylamine	184208	179413	80009	77717	83452	82898	126181	117649	93437	83358	121051	229949	775268	81609	163686	82830	111279	96506	119180	78412	195447	110638	1172636	119858	110121	109508	184208	179658	130636	1039126	77949	120092	493174	101645	89167	93470	201901	91211	55779	80854	65002	72020	80627	87010	58838	30644	108913	33286	184208	184091	81030	162868	50779	177329	331811	141208	52959	294019	56416	88887	99495	98593	103373	99424	184208	187673
cystine	3045838	3031612	3982171	4140599	3503602	3658131	2824350	2532212	2413130	3313923	6151449	2469325	2603956	3209412	3167248	2328144	3792406	3473014	3240024	4562530	4225940	2946814	1711537	2957517	3142888	1771914	3045838	3006014	3116755	1632587	1783811	2544509	1754428	4001617	6289799	3987772	3470580	2807484	2816521	2096134	1654447	1755504	1925705	1579913	4997388	1840227	1608259	3692601	3045838	3011971	2713249	6080175	2798116	2212574	1730977	3396641	2530501	2547859	3063862	2246796	7568908	7647266	5278626	5247371	3045838	3012994
cytidine	2047420	2052465	2537984	2466102	3150867	3064800	2610450	1420724	2012532	2460013	2097425	2079613	2085325	2151044	2115895	1389021	1962458	1460903	2432686	2578117	2169667	2042864	1638841	2036265	1941931	1751886	2047420	1986397	1690570	1807234	2311430	2333046	1570247	1921446	1981439	1770983	2114459	2804030	2476899	1829777	2173138	2057676	2178981	1931697	2269310	1637916	1529270	2453926	2047420	2082521	2214168	2281042	1793136	1530006	1775453	2087853	2067628	1467946	2473444	1660027	2779018	2785354	2127231	2114808	2047420	2020363
diaminopimelate	2001969	2209758	3013027	3095045	372820	432635	729864	1046953	1918250	24756	242697	378182	65459	722359	104016	1310741	6857202	2164791	4466960	5622129	2542632	2899150	1117733	5164098	2818190	2657683	2001969	1892094	2894497	471588	309728	81033	210525	3534009	6692154	3799716	7915341	1492863	262742	2399883	199693	1037394	327336	218740	1301120	1498416	483883	874091	2001969	1841295	790439	667657	4775625	2279999	2926665	258186	5480232	4515473	3569535	990436	2922057	3135785	834213	702995	2001969	1989277
dimethylglycine	90573	91250	139592	136487	231636	232523	161397	56331	82132	92164	73780	90549	71064	80428	98626	76168	85427	65156	85904	158800	97740	80471	62418	105384	100714	72376	90573	93285	56850	82478	83974	79548	72540	79899	85388	56358	79490	122835	98845	76755	92423	87785	94916	94716	78770	74954	63264	87263	90573	92699	119881	87403	101396	90759	90968	151926	123582	89643	169137	97271	157126	158652	152043	148167	90573	89707
DMGV	36475606	35944697	27783920	27846668	37158841	37763319	15914581	29474086	20721336	27192980	18541029	18106929	29962841	26653796	27444030	28884244	60257985	41769491	26144683	35335535	54337927	42520754	30706216	28119664	44778022	31553172	36475606	36150006	27567971	38327526	25684288	28141871	27057772	46351300	42519984	32773250	70262581	35993064	39007404	29740520	40007699	33959398	34376893	30321662	37282026	56317551	33958395	23249298	36475606	36389502	68751827	34278742	36064684	42963327	35763745	32921642	52625271	46102915	45466209	40389107	36406675	36528363	31062387	31255128	36475606	36618818
ectoine	83215	82896	376009	371925	381803	387124	99431	49990	38035	93138	75999	78045	51948	44334	84423	73356	52005	62850	52691	35292	58643	111082	109142	151235	40416	54192	83215	80385	39062	57192	45335	118911	90681	50977	60432	98904	64033	71512	70433	56137	91803	100313	78917	44841	59876	121178	80327	71851	83215	84781	105508	153265	63010	112260	120335	91900	157862	63834	148358	143626	338586	333513	302125	290686	83215	86101
GABA	12932187	12910272	17191352	16945646	11142668	11135057	16039116	14967592	11569147	10113010	12688458	10870164	14826194	11833886	10015565	12739816	15883564	12953756	14581690	19393380	15630665	15316885	17235112	14992140	12509000	14668668	12932187	12841537	11890342	11196371	12315704	11468064	8271328	12332781	18873655	16743787	14004930	13580769	11780890	11084185	13377730	10093544	9196985	11770553	12052041	15486530	13412959	12355633	12932187	12581710	12577545	18050798	12049629	12438591	10580315	15573628	15081658	14942407	12965326	13335618	18875772	19448775	13345428	13209258	12932187	13431008
glutamate	2439466	2416596	2233191	2236252	1538540	1537906	2826914	2772355	2466437	1654605	2528542	2204952	2451506	2424426	1899218	2794277	2911405	2958654	2823692	2833330	2166535	2471520	2540610	3177171	2878317	2590069	2439466	2450696	2424876	2121437	2118989	1941741	2030674	2296478	3209536	2946683	2214468	2144083	1959930	2649534	2184313	1803649	1961453	2177251	2405810	3247909	2357208	2082498	2439466	2427823	2688994	2973271	2712965	2756475	2444079	3160026	2783550	2968329	2040317	2747044	2081411	2095339	2545481	2535946	2439466	2445624
glutamine	3900019	3879936	3514112	3505915	3984351	3934714	2499703	4123198	3007301	4585067	3579088	2974007	2689730	3738701	4767356	4374663	4150911	4298500	2445213	2968578	4047398	3971074	3061301	3130392	4119855	3209657	3900019	3848789	4633106	3652477	4305389	4665724	3502804	4437152	3519338	3849734	5128547	3860219	5420815	4199521	4722880	5205549	5436103	4725815	3854713	3228827	3435446	3886066	3900019	3946284	3995069	4478757	3359653	3601104	3244547	2600533	4067576	3826007	4197798	3632668	3759058	3733403	3452747	3399033	3900019	3901385
glutathione reduced	1247447	1213220	752412	790770	845059	862980	826626	1026409	398977	1102378	670593	274467	1442302	881212	1940399	1939922	2188240	747058	1855445	1218079	3643154	1403506	3911387	745647	371166	3257897	1247447	1229146	286905	1561768	497976	1582111	218439	1644405	1537025	2227176	2288171	775265	648158	501345	849798	195352	1537	21981	1341069	2760394	707845	1807011	1247447	1156297	2113215	893670	2745543	1665712	890817	1489189	892677	4950848	1129869	2115760	1401784	1469466	800562	824352	1247447	1181879
glycine	367530	362755	527598	535225	507802	502316	366036	341220	316048	401157	443110	329438	317466	359788	388308	300012	366181	325301	362403	478837	392601	352034	253988	351351	378513	280954	367530	350250	383674	300060	359651	339218	268039	416419	490863	391364	398762	400173	463244	337267	342688	332288	371823	316503	457668	303389	259557	384535	367530	370058	382117	569484	345528	299317	288603	375435	347209	317352	377241	314634	617143	629535	449138	448998	367530	354131
glycocholate	812410	809639	210077	210431	78129	75922	625556	78184	841033	142484	463488	211285	1049116	165108	467876	87024	1584530	1904083	1786546	1598847	536838	1227269	2400625	1259382	716102	1113665	812410	794565	21139	33430	32328	157862	75172	1369966	995407	2978633	830836	1538277	46276	194995	44764	154328	63211	41349	839938	317861	136499	171570	812410	815831	418617	608602	2405232	1554978	2766846	62772	889163	913626	836625	1840762	201332	207367	40202	43615	812410	836053
guanidinoacetate	337521	335737	510277	512392	671849	660061	422305	225712	348722	396564	442973	361204	408930	309977	312420	189089	264817	189498	376650	404584	309207	243004	400065	333637	271174	396826	337521	332466	249267	299002	375079	294583	252425	342075	379805	318279	408139	361648	365516	331404	314939	327713	324160	292850	423114	279141	216222	429969	337521	337369	326339	291940	346202	290664	375835	308231	339196	307246	533412	453989	571182	591905	440632	432487	337521	344287
guanosine	777880	755595	1077593	1066171	1294452	1275814	685844	485945	592764	725811	2674514	499233	919090	1412025	784491	436398	748027	920362	758320	1403482	615264	405705	422745	424344	451346	459475	777880	759838	526163	481217	886761	841508	462279	1977516	1014570	567204	620220	841767	980431	620614	730306	585036	648628	389230	2316582	527486	422797	857408	777880	769112	565159	1251659	697137	590844	601698	569532	637166	412636	689149	517605	1473507	1448429	1265041	1281794	777880	806979
hippurate	686583	694620	947030	970736	1407692	1395865	299645	658903	696837	1082718	809459	559747	1206035	800191	1374968	448686	788060	637480	366434	437542	1207865	976815	814053	523072	1205092	1014129	686583	704991	754672	1205716	482088	1070094	714332	634903	670685	490040	1014723	653354	786981	242069	112220	449681	669175	466693	765680	1052024	1139127	538751	686583	677125	413866	454694	145053	628999	311662	248046	626974	306881	534838	509766	1615249	1547650	1062832	1115410	686583	700001
histamine	592226	599514	452822	451083	539620	536662	799716	1757035	556165	1033787	1034228	1354189	107098	276829	335674	152533	532651	527702	191764	358311	727846	390427	510458	722411	423551	524222	592226	592570	288988	508792	402451	147177	458983	1052566	1272257	1119358	730516	138074	243500	506530	321725	409449	578624	468127	226423	478304	166720	449178	592226	580750	1156094	759048	656773	1160507	146255	247228	835655	305234	918986	536267	704777	702653	892889	883124	592226	578816
histidine	3386706	3403785	3066173	3075568	3344097	3374938	3450593	3218621	3114918	4389494	3668134	3112262	2733443	3553750	3805980	3182480	3287913	2923379	3323721	3400921	3878145	3867987	2685348	2919510	3132861	2585589	3386706	3363808	4413284	3190479	3034229	3982950	2809398	3488425	2564340	3305706	3842614	3579119	4741819	3375642	3219199	3751051	3426509	2975678	3999462	2843432	2638053	3609325	3386706	3355119	2900203	2528647	2607063	2377392	2601872	2650648	2749210	2885045	3247476	2601242	2654781	2692102	2094594	2088559	3386706	3344017
homoarginine	236282	237443	171536	176349	201989	200044	208384	277774	261743	360034	191311	277265	180288	165674	218444	157462	355964	150626	154414	116672	291243	183994	154887	175926	229903	174951	236282	233210	306762	266077	228670	253014	250219	189258	166998	151334	191565	129629	260235	280813	279348	301100	228713	282006	191177	206402	225147	227796	236282	224582	203421	167381	177020	297880	240617	330264	211604	274274	409064	243526	171510	172962	144036	148576	236282	237325
homocitrulline	20359	22050	35750	34634	33578	35542	18436	6352	10611	19039	9153	19750	7916	5948	14506	14234	12886	16704	25248	28106	17591	35366	23903	40051	26479	22614	20359	17692	21277	26365	13424	18693	10741	15857	16147	25339	30832	26066	11316	4507	12717	15495	13208	7095	4258	10938	11113	7916	20359	23180	29752	31178	24228	24754	22676	22442	18865	13344	33615	27300	52551	51478	23138	28921	20359	21770
hydroxyproline	134856	136439	209375	207860	271284	267285	229527	106976	139697	175242	170952	177992	176901	152178	191978	117982	112512	91300	95125	154174	112813	99723	88105	130890	103953	85463	134856	130247	156484	195694	164364	157137	113508	105132	103966	88702	110681	141322	193911	146809	173240	137574	162180	135098	127747	120858	95377	159814	134856	136667	142101	135692	104529	109887	96462	130934	136876	81889	150884	101308	221218	227978	192284	191403	134856	134949
hypotaurine	179266	179532	213652	210434	267405	267714	141908	126223	136766	182977	153815	139693	155862	168982	239746	152958	184799	146074	172791	217599	201036	190896	177162	192337	211286	184929	179266	176140	138594	156258	147928	206143	114851	196905	190976	164096	220085	233079	221017	145763	160360	210193	205863	163511	165328	127439	107671	160073	179266	182178	198086	168467	190188	191067	158035	208333	231577	174354	275476	200228	245894	246652	195615	196766	179266	182543
imidazole propionate	542465	542917	795377	791124	641719	658778	725040	370066	584099	704184	504613	690243	566443	895414	529588	497658	257148	179055	378447	670063	256036	367479	334665	455894	283344	317058	542465	542196	1117960	1461050	758571	948292	655266	987837	306820	418458	289885	306429	795382	779385	552470	709078	740832	622751	991011	541828	438224	944264	542465	542082	175049	184675	423717	213939	316650	258539	313721	244923	673515	289414	741021	759760	432331	416388	542465	545446
imidazoleacetate	17244	17659	23105	23357	22835	23401	28980	16071	16501	22188	17737	27027	20128	22212	29027	22489	10404	8652	9468	25349	13997	9213	9506	13545	12220	9135	17244	17368	16253	23979	22515	22885	24193	15565	12049	9251	12714	13683	28894	22442	25621	29698	27473	22896	21360	19339	16244	22617	17244	16940	11354	13300	11557	10947	8768	10182	14863	8193	14709	11326	31203	30320	19455	19521	17244	17476
inosine	12880651	12717682	16801768	16430726	20712120	20036155	13157261	9525161	11791087	13161639	27168002	12167156	14456904	17632144	15256784	9610814	10513622	12164145	11881486	16281261	12385197	9104842	9408508	9008277	7755121	9534088	12880651	12871725	10050482	10079513	13002306	13999784	11291502	18709347	15788700	10405697	11416228	13698999	15149296	13321570	13435265	12841739	12764469	10203149	22170547	10032363	9577213	16869207	12880651	12904107	9289880	21589535	10366446	8839513	8932164	9417001	9920630	6406012	10582049	7461115	21360477	21630565	20138680	20077644	12880651	12822328
isoleucine	249983994	244280665	273805109	272045802	323573095	327703412	262052630	188865132	257730978	287481501	394443252	294496776	261299987	291820915	276194412	178473590	231571737	197119232	279287675	312369584	267319028	269587671	209240138	195329949	253997770	245757447	249983994	255929472	223198682	241941370	274521749	310011682	199116947	296581003	218911198	209619126	273567667	324975486	318579066	232981561	238033117	279566122	276080157	234900362	347016854	168587873	181897856	296721264	249983994	252382928	247499500	219642362	277475836	234793062	195773828	184484348	233998835	174193546	311788380	243322593	295037254	299663613	244032218	236005987	249983994	249093950
kynurenate	39410	38271	48416	49539	77134	74632	45039	30488	23760	27297	24191	29552	62596	44902	49680	49634	45167	34307	11966	28764	37091	22546	15636	19535	26464	16779	39410	37738	22076	24030	58225	38163	35772	40372	29733	18535	45281	19384	85667	62323	111325	86864	58226	41403	58589	69310	33556	44391	39410	40305	35156	43185	25787	22989	40205	18184	38195	30419	31100	25427	81661	76944	64133	66729	39410	40476
L-alpha-glutamyl-L-Lysine	4517	4683	10294	10527	7476	8204	3356	3299	3234	3770	3283	3266	1793	3532	4737	3859	5473	4007	3922	6099	6306	5870	2620	4198	5522	3047	4517	5212	6184	4419	4053	4699	3923	5994	6688	4522	5685	3971	5393	4048	3567	4257	4083	2984	3989	3917	3255	3457	4517	3839	4806	3239	3271	4657	3634	6230	4712	5318	7484	4874	8993	9238	6520	6368	4517	4483
leucine	438241437	436594716	508577850	506873077	560791333	559929134	480384578	325062319	431128060	509330795	866645841	501976886	450884934	534058291	478493816	302478068	420134941	364900452	435207509	536206581	449192400	441173067	348112762	341176244	428847752	413748038	438241437	435589971	394252023	400058377	474189696	523713109	350363095	531306332	367961453	358136328	467074980	551711853	556000743	407478878	409257907	475514280	472869598	393114713	680119848	304986324	309085204	524036902	438241437	437216650	430083899	386398626	437915788	411158255	318101604	330298462	404753202	291731811	522635578	396735632	549630620	557836645	436953970	437165770	438241437	445561037
leu-gly	51264	50612	53251	50434	72984	74062	44334	37111	60318	69196	75234	61937	71423	70542	70844	45157	47724	56516	58747	70294	53716	42293	59516	43248	46254	54846	51264	48688	42238	46200	61269	54191	36525	54311	58704	49077	45521	63394	81740	35186	51697	47095	43917	40678	45352	31629	25186	49100	51264	52096	40899	57767	41132	40959	33923	34318	47992	31090	74622	45448	63770	63193	46885	45528	51264	53058
linoleoyl ethanolamide	145417	146589	189525	190745	177915	173877	135575	120293	174300	154971	213726	82240	88431	128131	127796	161800	118681	145999	155218	177765	138291	168348	79211	122392	148753	169806	145417	139248	136428	96799	226094	154028	48227	154585	175967	157549	124475	177615	224834	117694	152051	156574	160472	206795	190825	259067	76698	135098	145417	134151	169406	160648	236199	111604	120357	120060	165200	122204	168029	173820	175596	166523	128114	122324	145417	133572
lysine	3798547	3739442	2898653	2868724	3228293	3236336	4724628	4741283	3982925	5705082	5095783	4106948	3661322	3923712	4219184	3362648	3219179	2360817	2732649	3247351	3562790	2807862	2497942	2433513	3080013	2505964	3798547	3684851	5619921	4220900	4389578	4482066	3727794	3188766	2652307	2474545	3068744	3123270	5515575	4502326	3947146	4486328	4816525	4399550	5029805	3613231	3434583	4994902	3798547	3764346	3458599	2700699	3023475	3408493	2845451	3652913	3004538	3080647	4157377	2912853	2945462	2994568	2383677	2366977	3798547	3825300
methionine	590700	576182	731127	720642	783871	795462	632420	406102	588301	694654	1410102	603953	612374	741026	656177	391969	477082	489798	577529	751803	531644	552651	495452	498599	458674	529498	590700	602143	525803	595584	619836	677426	424257	828756	466929	513392	578562	713425	709592	570749	503432	577265	572070	493349	1079182	444196	367470	787336	590700	581562	476630	453435	561883	471533	371807	436710	501217	380163	696795	537731	766293	798753	660932	635848	590700	591686
methionine sulfoxide	842370	868716	1390483	1379078	1910943	1774960	804968	745715	682638	1092293	1407954	819959	772861	1023867	1181205	702470	731814	731991	655423	788902	724570	1130002	1064127	843130	636988	962210	842370	925520	967488	1178549	1098056	1177305	670794	1073093	530294	773432	754008	1050886	1053636	1036720	1317159	1208728	893505	843338	1187247	883538	638214	1155969	842370	829318	739560	504384	819549	686662	779583	549840	851975	635944	1240179	815675	1471375	1424817	1307323	1371115	842370	764680
methyl N-methylanthranilate	13417	14529	16424	14913	15528	17133	11092	12412	15393	17710	14021	8318	9960	15261	10972	10943	10483	11026	11707	15834	11372	14437	6863	11594	14174	11613	13417	11537	11800	7645	15416	15558	1321	13157	12976	11582	10012	15341	18024	13497	15656	16486	17871	15520	16878	16339	9055	16368	13417	13727	18832	19702	16883	11042	10880	11009	16676	14313	17820	14952	13463	13755	11531	12547	13417	11419
methylguanidine	7488	7579	9029	9211	11303	11027	6317	5486	5995	9330	6726	8423	5190	5009	11036	8566	4525	4573	2633	3177	5152	5548	5685	5403	4347	4722	7488	7351	24134	20047	5693	13732	6793	4894	4875	5224	7074	5587	10398	5713	12896	12006	7721	4925	6857	11538	8530	8775	7488	8050	8970	8923	4264	9115	5589	3950	8734	3809	8113	6034	9876	9817	9032	9457	7488	7714
methylimidazoleacetate	63201	55782	59097	52044	89508	96523	25142	68562	58147	88460	54559	91610	80173	52504	54230	42345	62598	52587	36564	39702	74402	54904	67164	52415	64114	61851	63201	64933	78983	78259	74542	79621	50691	102973	43659	58614	70331	33364	57757	51494	28924	84009	33068	49864	125173	63251	40206	66688	63201	57496	39711	31958	65990	42848	61621	44652	53014	120212	113544	188624	64979	84491	95916	87547	63201	56204
methylthioadenosine	3065487	3088956	3374840	3524094	3850652	3930561	1868629	2475979	2423729	4465456	3619221	2703637	2821240	2999233	2065340	1823909	1752681	2095547	2561096	2279540	2828565	2574826	2383660	2050176	2121950	2260125	3065487	3198636	2540661	3894765	3297202	3446119	2554697	3148013	2670887	2707929	2548859	2806672	3150028	2621742	2180848	2535845	2156929	2105149	2256655	2028572	2165231	3374408	3065487	3112394	2638566	2252681	2456456	2613517	2261853	2210588	2341441	3048654	4649570	3479280	3031531	3035350	2747668	2691329	3065487	3045342
N1-acetylspermidine	1024739	988420	820671	804559	1243688	1232203	1031098	696426	753739	1055189	682556	856610	954240	1124858	1006357	715519	1242026	874711	1003875	1162638	1503215	1065099	898757	897209	920129	821004	1024739	987432	696554	907391	1091615	1031177	882332	1210598	1014251	905075	1224944	1315896	1189757	871614	1091574	946947	1048443	931901	844148	771065	726114	1033798	1024739	1025014	1778303	1168760	1046483	988704	1133749	931693	1199704	870304	1378506	1024273	1082255	1075024	794573	806080	1024739	1000228
N1-methyl-2-pyridone-5-carboxamide	88494	85437	123587	126096	164904	162018	70873	61937	61361	87838	59209	57940	77475	93454	80869	66302	118610	71740	117946	126350	139566	115576	79518	78157	139251	94905	88494	89249	56423	86866	82986	75226	66459	82454	113706	67405	140792	117975	91115	69947	67195	79025	70029	62385	95249	117591	60488	73177	88494	87542	127084	62252	78414	94156	91760	114085	112332	79734	134039	84493	165646	161293	134179	129243	88494	86068
N2,N2-dimethylguanosine	600980	538187	642328	618255	1101837	1113813	463245	421907	478492	648538	494919	559074	697820	635736	731610	514800	705295	455363	605909	559311	665802	516557	564482	427553	590568	520599	600980	607710	364294	681200	613454	645649	477282	709946	681081	551672	802134	745696	1094390	683336	802678	816376	796269	515791	704397	657086	530445	784467	600980	565278	573705	512155	438948	475865	596182	452525	615728	547408	814176	556175	1453274	1378596	12370	1137319	600980	675443
N4-acetylcytidine	360937	357560	263728	263616	311129	308059	344876	212741	255547	476305	266925	273202	225541	246791	245963	155027	418368	393434	617274	517006	533323	533146	447043	474507	350214	407118	360937	362677	370533	226117	374881	389933	256695	340683	451069	427274	539927	734103	305143	189195	185452	231487	272807	199240	244736	236474	211136	238853	360937	358369	477502	559932	410598	379761	440953	445516	486241	353419	514308	466243	300366	300528	198588	194837	360937	351825
N6,N6,N6-trimethyllysine	909165	867954	1155800	1140990	1490902	1461479	978333	725861	852792	1240089	768296	1051224	694210	865769	1148346	710752	889386	666148	942145	972666	904551	1024659	820552	881558	895559	791399	909165	932312	955740	913273	1046276	1125596	897809	714821	734858	776413	1006344	1178341	1146827	752318	923138	1131073	1177739	949606	961466	732242	724509	1044010	909165	954806	881152	921410	743390	744415	716346	736529	937111	667107	1118248	762854	1236985	1264916	1003607	1023152	909165	893835
N6,N6-dimethyllysine	2484	2481	3246	3752	3343	3243	2474	1890	2064	2232	5441	2327	2010	2406	2160	1458	2183	1865	1816	2232	2809	2389	1807	1642	1922	1673	2484	2300	1900	2195	2473	2565	1929	3020	1848	1754	2417	2791	3184	2505	2910	2795	2986	1948	3955	1666	1701	2786	2484	2464	2870	2582	2252	2403	2185	1967	2406	1714	3048	2020	3331	3527	2442	2472	2484	2595
N6-acetyllysine	250365	251106	245383	234784	305029	302872	240770	364862	290177	446744	228465	300683	246060	253615	344646	267358	205739	106256	129533	138150	196218	168699	156604	155766	173987	140381	250365	256427	407406	403183	354905	364709	281277	176122	137168	148822	185390	152882	439206	327235	322813	366860	361680	357211	252103	255863	265104	314473	250365	247985	181017	140699	139830	218143	191343	232542	172986	258550	288655	177969	263099	266118	225836	220126	250365	248570
N6-methyllysine	30605	31361	46421	46622	60657	60283	32121	15459	19768	23944	22400	19802	23866	25190	26286	16104	44955	28445	23659	34527	46161	35917	20410	28342	33786	18510	30605	29868	21030	20895	25315	27997	20441	43779	39820	25434	53743	33075	39249	29830	30220	28985	28603	20651	33187	24136	16815	26616	30605	30686	54837	37576	27997	35217	27833	26359	43953	24212	45857	30392	49544	48545	39484	39029	30605	30552
N-acetylglutamine	29496	30047	46216	45113	64256	62897	17315	31447	21864	29616	20355	19152	30118	32423	35549	32545	41818	22898	13663	15286	35049	18538	12719	16356	25644	12570	29496	30273	33904	34211	34725	30452	21132	31749	32307	19157	33504	17642	59520	39131	35190	39003	41601	40947	41926	63175	25174	31078	29496	28551	36850	26172	16535	31661	21217	25030	34342	37061	44574	22536	72367	72040	53462	52922	29496	28099
N-acetylhistamine	49427	50409	63198	60334	79775	77864	37417	52887	60807	77299	56962	62347	56630	65034	89799	60577	38541	24776	20864	31779	46187	24857	32378	19948	24141	27102	49427	47787	55709	95376	54170	74401	66477	42982	33018	24273	47300	23653	95569	61238	73039	105907	78478	51529	63539	76484	58988	78839	49427	52069	39094	21408	27394	32616	21460	15048	31414	23078	37810	21188	79293	76970	65443	65079	49427	48663
N-acetylhistidine	7323	5628	1051	3192	417	1893	3957	6223	7629	6543	1525	6941	2512	6029	3278	6755	10689	7513	2363	4369	4744	9247	5296	8014	8987	6595	7323	6883	5031	6579	7281	3508	5453	3006	6512	7768	9580	9348	8394	10735	13061	9125	8598	4764	2486	6588	8386	1637	7323	6785	11910	11371	13679	14256	9055	8526	11881	7076	6421	6516	3995	1978	3419	3479	7323	8432
N-acetylleucine	124222	125082	155453	159015	88735	85700	83947	66632	69706	170319	256266	119442	123855	60790	58298	241863	97961	87141	269550	159628	63357	73119	100951	63456	240852	79440	124222	127520	126158	246559	88077	112994	113805	85065	190627	77053	226994	107687	86061	172860	96706	182040	89302	154406	115181	66953	151807	94996	124222	126613	96481	98238	86620	69925	91906	61632	115645	63424	238189	70981	94145	96464	81711	82340	124222	125468
N-acetylmethionine	539	540	1403	1591	1101	1121	450	224	460	528	3066	473	608	960	730	348	512	562	287	959	315	263	167	338	363	330	539	495	438	311	605	502	262	1101	987	683	334	456	501	393	323	383	361	305	1886	587	370	771	539	513	366	1211	651	564	329	401	448	383	565	583	2593	3055	2294	2023	539	563
N-acetylornithine	201636	203911	234919	218020	230904	226886	207040	163431	215748	290563	173871	239253	162296	176494	226056	178990	164192	169018	261187	218855	217097	325174	199676	238661	170508	183927	201636	204724	176499	201338	206601	231072	183436	188681	212331	256661	350999	286544	245678	166537	204331	223099	247692	179316	173488	129785	139416	187919	201636	205277	213256	226719	178656	138657	152197	147213	212314	121662	191796	178624	239321	240864	152383	146984	201636	199175
N-acetylputrescine	13377	14467	16135	16111	23162	22973	12094	11513	10736	14978	10993	10766	14752	18896	14750	12497	14143	14592	7524	10474	13353	11274	10662	7076	9775	8846	13377	13088	9627	12805	15532	14901	12599	13625	13326	7809	13961	12298	27786	15734	23097	23552	21793	13701	18247	18219	12635	15906	13377	14509	17583	18613	12672	12266	12020	8429	11375	8993	11293	8442	23918	23041	17529	17932	13377	13458
N-acetylserotonin	947994	1020254	608137	673044	366697	344053	471495	584789	318515	597761	468525	476938	254819	500535	546090	847256	880660	1314657	987277	993869	549032	830847	1217024	1525273	1648039	1420140	947994	925442	1791959	1339963	2908152	1167337	1184458	223707	617590	434911	509103	210321	220698	250859	818555	1019042	813563	729144	701455	917142	705419	620660	947994	995521	1311018	1340319	1209651	1193759	1076483	973009	1690570	1221292	690735	723141	469629	516867	512583	482184	947994	1057208
N-acetyltryptophan	8421	7300	10959	11663	18218	15701	5526	5887	4593	10573	5959	2883	8795	7938	11298	5439	4802	2591	9835	6100	12012	4242	8837	4004	3591	9039	8421	7459	5344	11153	24466	11273	2032	9225	4453	7126	3076	4333	13949	5966	6487	7868	2777	4216	5857	19776	4907	8014	8421	7543	6945	2960	5141	6418	7092	6169	5979	20284	11113	12094	5608	5447	7954	6782	8421	8697
N-alpha-acetylarginine	42621	44440	61343	60917	66108	67956	43864	30205	42223	46198	43506	45678	46473	44408	41451	29890	43943	31276	38178	40034	42605	43246	43725	45853	35017	39947	42621	43642	38421	53389	50305	47511	29428	45481	41193	42400	47511	53627	46656	39799	42410	46143	42812	37747	51138	45603	31239	49875	42621	44162	48374	42175	41166	45181	42235	38919	52640	36320	56297	44992	70355	67324	50827	50686	42621	42458
N-carbamoyl-beta-alanine	77776	79136	95342	94898	183176	180306	78596	56088	63106	78246	41551	90679	78602	68977	66192	49751	101462	64856	59269	84090	81368	89133	73300	92113	98242	73297	77776	78019	48272	63730	74510	74774	47672	145890	50305	64449	89239	104563	112832	80306	107559	88237	81607	80008	81285	69861	67024	67357	77776	78118	81199	36349	69235	69548	64876	85670	125989	68407	125320	81523	130189	128592	133687	132561	77776	77464
niacinamide	11915331	12078145	16747954	16462797	12423842	12404304	12665320	6791339	9708492	8276314	42646509	7970988	12428626	20188323	12665381	8985953	9974707	15355464	9402793	19739066	9891969	5567249	5547163	6408015	7220431	8368016	11915331	12030362	9120334	5940744	9198217	10961979	6782838	26114562	13754825	11425901	8173762	13140743	12248824	12528570	7554906	9873332	8083050	5675086	32846311	9718509	6379754	16784958	11915331	11947437	8028788	19764041	15789951	12145431	8206756	9361441	9080423	6637005	9863291	8973244	17563190	17474367	16182500	16148890	11915331	11828090
N-lauroylglycine	14193	14028	10332	9273	7863	7571	12127	7653	7610	9396	50451	8592	8018	6726	7133	8034	8166	9428	11185	7162	7392	10536	8555	7592	9886	34942	14193	13216	8568	7244	11810	9011	6228	7411	12638	9035	10551	8594	11273	9147	8957	10253	10508	41113	10597	12985	8359	10167	14193	15463	10353	7557	71820	9062	11925	10685	10676	7629	9735	9056	9862	8788	7696	6959	14193	14851
N-methylproline	69726	70834	120464	120512	133443	129838	94975	47009	50248	58312	76575	110341	65875	69030	60090	62282	25045	23642	33914	47383	29484	34494	41383	52569	25923	30397	69726	74593	30558	36445	22305	34872	28058	39148	41398	33596	42853	45373	85175	52589	51842	101752	70666	54763	120603	60050	53697	83833	69726	68345	96724	86231	154665	146704	182273	104634	153026	113161	74032	218300	110091	111439	83569	84182	69726	67842
NMMA	857285	885708	744836	751576	686354	688777	724369	639891	716919	884932	1011357	776341	464971	614651	812637	652665	1215915	751915	929320	1010501	1247424	1173201	797022	1119595	1134740	878980	857285	865970	654974	593338	541433	722612	612819	1263443	1154960	903330	1032169	1011244	858553	688442	764094	834522	725970	632106	882704	561219	590856	735655	857285	877398	915648	577899	720880	1054762	710601	946243	991856	901999	1400085	973910	669178	680633	485434	460311	857285	843451
ornithine	233816	228289	283167	285438	294276	294346	408494	191272	280616	280648	272417	308979	325574	268424	252154	157328	187381	149637	251477	274773	207486	204522	181370	215437	192005	193770	233816	232532	198054	245956	252887	268022	220777	185039	143775	175210	200359	249637	274876	275277	248618	236460	259269	212951	328520	201186	180056	326130	233816	230816	205810	193052	204920	161556	192590	192214	190436	145253	189061	161892	270851	273772	179045	178655	233816	234281
pantothenate	33966829	33857657	34045683	34465436	35335834	35185816	35309254	23135946	29745675	42919667	29138738	36752283	28441331	35823097	37187548	28289252	40394146	31008858	32686471	30171873	47200166	40430143	23723999	33276580	34947449	28540575	33966829	33901276	37919355	31971639	34247560	40454706	32679510	35999769	38717199	38082773	45182130	41560801	41801942	27002600	31791759	37706367	36660321	34217370	28542296	29508562	29176150	34867042	33966829	34895279	32997845	31326269	21618312	32596364	23292386	31331076	34329653	32152589	40040794	34157365	34828428	34606736	27772348	27894231	33966829	34138082
pantothenol	2176889	2264477	2155071	2034799	1610631	1604705	2244074	1765670	1917655	2220142	1514153	1939228	1891877	1298626	2160836	1458247	2013768	2207370	2370303	2121763	2412174	1975281	1223111	1174985	1964485	2150825	2176889	2128542	1479461	1185487	2758240	1978320	1721802	1121647	2590242	1958988	2039757	1925561	2591124	1525754	4669941	2240401	1883553	2259129	1309207	2808768	1119718	1745203	2176889	1931721	1637707	1263544	1945441	1927757	1652215	1836732	2475641	1776212	1774469	1922544	2153140	2047433	1335068	1416082	2176889	2233619
phenylacetylglutamine	60063	58130	51386	50650	43587	44161	22251	36602	44280	64960	27542	30452	72928	50865	52737	26829	207089	92624	94312	62160	129120	79992	63929	36717	55052	69700	60063	60189	45583	27699	96367	53004	25027	73412	126501	129451	119493	57211	43027	38293	24525	23142	32857	40354	55045	18410	32565	54920	60063	60263	83049	47057	70790	47656	53887	49314	65841	74762	77228	42450	85820	84514	34618	37421	60063	58110
phenylacetylglycine	1013219	1001516	1261043	1249397	1150233	1117983	576300	799504	1016353	1105190	545642	645557	1299569	869715	1061106	513303	1651250	696400	1349240	1395038	1783304	1074489	880263	486876	634684	965671	1013219	1060397	850318	657454	1803930	950301	543886	948810	1390862	1620826	1861215	946875	957945	1029851	633477	553152	696790	884300	1156687	543763	714661	1119656	1013219	1064645	1733031	844089	1467756	867194	1221719	1138102	1132282	1458126	1655177	733560	2611515	2435824	850344	967376	1013219	1030909
phenylalanine	225447195	218501517	262065122	273438872	286923801	294337882	290572687	180569017	228140773	266187465	475200648	260927834	234943529	291406900	252489551	169133101	197281520	177598851	206109681	261383511	197706194	210546254	165004635	185257187	194243736	196791619	225447195	223001696	212101352	217435879	256187634	264542855	178289105	264514850	173292281	181576634	220163851	268363380	288557062	219413870	227673470	241172865	250525593	206315310	363881759	175031962	170816727	290215084	225447195	225754149	211102874	187068940	199827214	191493791	146585174	179612559	196505830	142862398	233606047	174378265	297632447	295432810	236160472	234041136	225447195	232608488
phosphocholine	2687014486	2722532396	3766659061	3742474399	3934243465	3942655429	2938273964	2537266012	3443532581	4996695255	3420867011	4103154419	2811380711	3024375264	3717443049	2495293430	1873987025	1321380535	1830749686	1445420000	2597750888	2477652409	2669155459	2090080731	1785483384	2290508074	2687014486	2730636274	3096213293	3377842155	3178253178	3672332661	3210810456	2661556039	2230283709	1935646858	2604450614	2915211336	3832589546	2671350907	3500403389	3677440234	3648179456	2887836604	2976664838	2610808191	2545362359	3856339721	2687014486	2675355992	2208023838	1715484201	1483657138	1671319614	1883754208	1763048491	1992230632	1512959421	3381282299	1897624962	3870613859	3910677211	2525815627	2513796810	2687014486	2722243097
pipecolate	114366	112853	186047	186417	184282	183295	125499	128273	97656	166762	105376	96778	110814	126374	136328	128148	97484	71253	76162	98286	111750	95262	75328	95636	90977	66479	114366	114581	191063	148251	154197	168554	122471	109438	86729	97826	131467	91689	182210	119264	130241	160269	141650	121332	133556	134551	114668	130094	114366	115356	118290	104454	104851	86997	76291	79055	94794	74806	100205	107815	215377	218578	147907	141360	114366	118600
pro-gly	710786	722135	821783	820382	1065739	1024623	460199	434093	548014	733244	899306	483729	588745	722857	765158	556979	682706	689907	655626	807409	728836	817664	659264	663456	653613	663447	710786	700940	693126	681584	1013533	778903	462867	834583	801253	661718	921563	811554	858630	696381	758173	811307	741084	658872	1236158	643462	546041	958359	710786	803222	836951	972647	935694	838037	664132	577136	843844	739775	1016543	700098	980370	977382	857828	812029	710786	717378
proline	2828238	2868370	4034495	3973931	3890865	3837213	3204991	1953395	2724377	2972562	4820837	3222924	2808327	3267935	2893776	1908319	2762556	2454249	2237894	3649104	2631764	2672453	2300201	2877412	2757732	2570333	2828238	2874948	2470638	2848443	3037880	2831808	2026051	3519499	2427024	2860739	3324382	3758623	3374548	2725158	3165316	2574382	3122184	2415949	4462756	2109606	1895123	3299363	2828238	2811711	2718490	2944834	2524074	2683642	1927246	2382846	2938926	1822252	3043466	2293287	3832886	3814272	3166092	3136348	2828238	2795350
proline-betaine	5802515	5786815	10044945	10084647	11273698	11202755	8961446	3758491	4980988	6842317	5097377	6637694	5579825	4864813	7047257	5208573	4308552	3914228	4773372	6189750	6368052	6204843	5183947	5975276	6825175	5235496	5802515	5785671	6475553	8221982	4659848	5892826	5505787	4896420	5011017	3969920	5199364	9492915	7463801	4266278	7035247	5637270	7783352	5682254	6549415	5872933	4396254	5459872	5802515	5740438	5621083	8159266	4334173	5928857	4514693	3722665	7040168	3803088	6183127	4360274	10238682	10319769	7302817	7359845	5802515	5708562
pseudouridine	39918	41519	62745	61447	105748	103867	40811	33531	37003	45696	31066	40658	40548	44504	40186	26618	47484	30210	33389	42973	57713	43249	26615	28466	37370	29114	39918	40838	28918	42116	41571	38873	30789	37180	43620	26070	73868	50251	59076	38453	48198	48094	48322	39636	49703	62551	35591	40339	39918	41967	68112	42232	34289	35439	31881	33625	45250	27389	49907	29297	113313	107741	72639	71761	39918	37604
pterin	42705	40934	43955	42564	47965	48457	29070	43636	31076	52677	40256	24195	48084	39387	64176	41912	28773	26849	45921	40003	48838	38957	50225	24404	27031	37753	42705	41070	32825	45366	58428	55528	28463	56753	44415	41481	45351	36177	71004	32047	38326	41524	33471	29842	44915	56289	30814	56936	42705	39476	46194	50161	39168	33363	28211	21354	34146	50745	62863	37911	63798	66832	44576	48820	42705	43462
putrescine	108625	109213	106011	106414	136117	135217	137395	112558	111992	127372	100585	123740	108350	140556	117683	115110	100920	99777	76877	84427	106542	93942	86762	67526	83162	88148	108625	110244	109599	109292	129169	143422	114595	107727	100471	68228	94026	92339	153474	131532	128093	142146	141478	132736	112790	101639	119721	128367	108625	107555	106741	109784	77874	80005	99787	88176	86075	96656	97359	80847	116521	116692	113546	110816	108625	110137
pyridoxamine	22808	25243	24954	23232	25580	24987	33450	19153	20040	24728	26980	23504	19602	29882	19445	15233	14351	18932	26264	26859	21108	20883	21353	22138	15893	20857	22808	22081	18443	17713	30935	22794	16099	28859	30666	25125	19490	24758	29312	19477	20640	19711	16522	16411	22833	20905	17822	23057	22808	22665	20994	44844	23257	23690	29903	24980	19501	19634	23304	21317	21177	18611	15721	18857	22808	23345
S-adenosylhomocysteine	203621	198816	248325	242975	274322	283517	305862	167291	237182	228758	173789	227752	184471	214931	168430	129148	222336	169332	275335	293148	235936	240713	173861	257213	207325	163598	203621	205879	194908	149827	222581	205250	116122	154565	216692	211675	207621	254739	247988	178261	170701	151182	193169	177393	193132	197956	135283	198281	203621	207477	231874	258213	160417	149926	149243	240473	208647	164068	218522	174116	260293	261606	215033	211209	203621	198127
S-adenosylmethionine	425531	426260	416895	420051	542990	548559	288926	346062	341606	491402	375533	334276	346939	402978	479245	357622	423528	420034	342550	390219	548049	505720	404118	392271	432846	382402	425531	420862	415681	385181	423450	506690	363631	533931	442772	418803	534479	477824	592847	432381	437576	513885	519559	421394	434643	325657	315047	453182	425531	422487	469565	429434	422145	444940	363467	347521	444228	406286	619128	378995	478919	488272	347086	332722	425531	435124
SDMA	188291414	187526849	224897651	220203143	177620486	173638044	125807527	121613006	136972838	191794946	143254117	192060423	79201308	112531989	141954237	101092471	264168699	123375656	138311036	184354277	315003276	230120770	142885384	177898932	237877143	145203736	188291414	185149741	168218154	158643291	130643771	144098923	115643527	284764130	243354430	170737214	211095785	155160094	197558372	150283359	159741333	185747011	160507850	146371935	116132431	116889101	101218206	133855767	188291414	187523654	245328436	148516187	153951270	267398546	206628221	334097440	226360961	323818134	387446946	245013084	192014442	197408637	118952413	120024211	188291414	184960829
serine	43448	44615	50960	51275	46960	49299	51224	36362	42789	43517	71443	43610	40588	47400	39912	30777	39413	39080	39886	48853	38659	40180	39831	43159	39338	40111	43448	44013	37920	38391	44331	41850	35967	47572	39641	41045	47022	52618	47910	44963	41667	38660	48289	38425	64012	46412	30865	45231	43448	42456	46427	54361	47091	46563	41188	39752	48167	38708	45604	45414	47824	49162	42175	41814	43448	45558
serotonin	32295	31279	25184	26148	38779	38476	30305	43047	38952	38164	31983	47009	10535	24884	28115	9154	40748	27612	31039	36697	41774	35816	23457	37354	43161	40616	32295	32357	23553	30902	30607	23011	19892	42030	47361	40280	45354	34375	27458	20966	22699	26637	39490	27294	22365	20597	16055	25755	32295	33808	64373	38008	30134	47935	22030	21790	45860	23055	54118	30817	34036	35511	31751	30994	32295	30810
S-methyl-L-cysteine-S-oxide	8434	12084	11357	9883	7368	8806	9176	8875	8741	8594	12514	9606	7397	7635	9936	12404	10964	15252	13465	13097	11210	10326	9337	11107	7726	12321	8434	13646	9112	10766	13015	7358	11121	10615	13857	14811	10585	12553	8261	9280	11275	7439	2878	7522	8955	9377	11451	6090	8434	9522	10981	14030	12628	11540	10602	13266	11702	9543	7162	8392	7695	7297	7991	8183	8434	8698
taurine	28584460	28273646	29991480	29864612	32697232	32856218	24929315	26101579	27732679	34704319	27254943	26770811	26038376	27283963	30379539	27658380	28461706	26038691	27598157	28493000	30727508	28287250	25399604	26757923	30358564	28168954	28584460	28264197	31040729	29066363	29786531	31924991	26030703	29939425	27694099	27344185	31041979	30683161	32697705	25320997	27554715	31002180	30634793	28157691	28070870	23976857	26866279	29249903	28584460	28746926	29197285	29417254	26661805	27648359	27104706	26626931	27195102	28545890	32831608	27238492	31778847	31937808	26625598	26584919	28584460	28643261
thiamine	3078858	2996926	4215184	4226415	6093251	6039258	3790017	1467387	2137299	3217556	3191958	3731690	3874980	2241413	3942455	2767089	2622384	2306361	2083270	3395288	2952703	2830375	3154065	3738965	2144606	2224858	3078858	2987580	1821323	2774355	1935389	4823904	2530111	4228758	2340092	3280088	3849163	4101502	3425435	2174749	4066163	4514607	3708074	1453183	3908068	4049269	2302371	3671751	3078858	3046903	2254902	3090311	2754688	3226731	3104957	2125207	4083364	2680349	2917993	2762645	4789761	4810040	4322059	4306404	3078858	3078273
threonine	141129	138880	164343	166687	136734	137597	171720	137177	159982	136836	241972	148423	142879	158036	149410	117860	150131	124750	123831	170228	120194	134091	126205	135247	129636	131901	141129	143410	134879	137751	139484	139457	118626	147772	126466	124815	129267	123455	151442	160746	150741	132921	148548	140386	217119	162194	110175	152420	141129	139361	121651	124146	138507	150650	120560	121321	145624	132074	130086	131944	161616	163160	166429	163020	141129	143079
trigonelline	1845982	1851341	3568492	3516334	4652158	4637255	2424083	1416387	1479003	2543170	2035439	2394639	1820003	1817183	2553861	2196081	1547044	1616997	1532421	1357472	2050506	2324190	2168886	2526491	1704964	1599298	1845982	1827149	1201065	1819435	1475889	2795131	2189475	1363069	1721207	1969518	1839797	2304289	2613585	1498420	2284865	2506634	2172552	1553406	1916634	2497078	1813780	1967287	1845982	1835849	1531022	1896240	953325	1359181	1084253	875305	1643825	854597	1456021	1280124	3600916	3591857	3528823	3435318	1845982	1846316
trimethylamine-N-oxide	253471	260883	274330	269428	426583	430794	206824	286251	308576	417066	275958	292343	302209	308214	398831	324424	365692	271096	179811	180801	419483	328815	372921	233721	304011	312497	253471	262354	345812	442884	214703	300805	286372	262146	279358	222177	360602	306431	393801	250892	320972	333452	282478	202969	197723	376385	176102	128447	253471	248368	204145	46129	30810	177224	69839	28611	64102	97590	51357	155789	275532	270860	282342	281169	253471	258379
trimethylbenzene	6640	10610	13717	9350	11221	9207	9894	8201	8929	10884	7494	5213	7450	11368	12646	9387	10578	8644	13532	13540	9613	8658	4306	8391	9848	12009	6640	7800	6962	3199	9157	12203	4414	9940	12759	11673	9285	15739	9057	6820	8732	8782	4699	6693	8813	7507	4339	8988	6640	7499	10153	10495	9519	6486	938	6457	6769	7224	8462	7225	7283	8818	5305	7375	6640	5481
tryptamine	13482	13966	12511	14124	19701	18611	28465	12586	19985	26470	18390	22211	20118	28169	22506	13135	4096	2682	9635	7652	4020	5417	3916	9705	5927	5099	13482	12422	8401	10722	23012	20264	11391	2056	3571	3167	5108	11163	31893	27675	19894	27952	23175	24572	21467	20690	18669	35194	13482	14743	7134	7044	5463	4227	5309	5337	7838	3316	8144	7719	15359	14779	10588	10943	13482	13477
tryptophan	42869973	42255925	46196924	44168451	58554416	57824590	46799603	34658186	43253990	45532086	53900921	51066315	40961904	44991288	45994410	30251328	42548232	39120222	44058885	55176878	47832125	45860559	37115776	40058258	45240381	42884393	42869973	42496392	37593613	41441127	42408239	43724564	34329717	46288965	37907964	38764928	48757096	53731828	50849417	41405471	40325204	43073934	43828009	35980038	46535991	29026047	28636190	46668448	42869973	42412298	44023164	42181189	45953278	41167608	35840092	38473360	42737268	34759129	52128724	41116677	47982133	47473014	42012484	41482072	42869973	41921745
tyramine	4693871	4619118	4319927	4237317	6005198	6011044	3946281	4312192	4641773	5233232	4016286	4171306	5064967	4889626	5432459	4351531	4803142	4063944	4306805	4149166	5177574	4655593	4085835	4179351	5415544	4787808	4693871	4575457	4925634	4896877	4971953	5386943	4013379	4220570	4952800	4288675	5909330	4997503	6229829	4689316	5181232	5136725	5610691	4474752	4750290	5273526	4342017	4727789	4693871	4747711	4992832	4748859	4077069	4093526	3701489	3222670	4437700	3859070	4848123	4256738	4790239	4861858	5011623	5094923	4693871	4525947
tyrosine	49742870	51078820	51295527	51198912	70105253	70679618	50435060	38459601	53897825	66628455	103758529	59591799	59370565	62975522	57373004	35500706	42832400	40297581	49752216	58672613	49783643	51891299	44760504	37482604	48053212	51837130	49742870	50240258	46269104	49555104	59529534	58171349	39280231	59759126	42419105	46303979	50426204	63205420	66255044	48379169	45889694	52541067	56279890	44429215	88333040	37056265	34628057	67482731	49742870	50476921	44262405	40501582	51332631	44649178	35199197	28800150	41877492	30141107	58506141	41843901	54092676	54899595	48984745	50465014	49742870	48785105
urate	72902	72444	53279	53493	203061	204081	79685	56907	87786	78738	61876	125416	65092	63166	53160	32282	80588	55702	68681	75964	84354	104118	73173	83205	74722	78205	72902	72837	48407	57867	82199	67141	44677	64777	80281	79273	92235	122688	82626	56887	65303	55921	67494	83093	75940	57344	43188	75124	72902	75347	114532	91852	79883	76208	77440	55063	84064	51217	124796	63006	74269	73623	146861	144057	72902	73977
urocanate	204537	204720	309459	302927	787072	778562	272632	193194	368846	374733	152256	131229	180037	127410	226009	159529	313331	155134	175987	195669	262716	117867	132274	109071	202216	126464	204537	204288	123993	170753	164546	167914	187634	178129	303047	134071	281217	232227	243557	194454	233814	201367	180560	121308	150886	211010	135619	227165	204537	202964	352996	228600	241745	209967	207594	157538	202956	218593	258987	228792	321650	337883	353192	346548	204537	205215
valine	247400911	245977219	299637961	301067032	336703377	340816715	246019912	201095200	269109079	293585002	405396740	277745645	247630393	290008953	265872454	188054590	223989352	197821144	245364249	289671317	252770352	253224084	207639827	194302028	240998019	237920837	247400911	239984134	232104908	238958653	268276611	296698613	189188245	268937499	204809014	200782990	266429995	294669938	325333349	233165466	244195245	285180106	276960014	247044349	345981123	181088715	182519028	290431957	247400911	248429171	236675008	202310567	264404076	234161235	179851929	185412583	229242403	172530171	303819070	238236469	314867736	311025515	250954452	254289420	247400911	254513938
xanthine	2787016	2912022	4093695	4075311	5666246	5486479	6727689	1791824	3225115	3364701	4670073	3788350	3715555	3937294	2306099	1301729	2827190	1929521	3895897	5446245	3236446	2582669	2070569	3395299	2777953	2515976	2787016	2834302	2047504	2047399	3145452	2846675	1583396	2528601	2555462	2246516	2514865	5164649	3175463	2471419	2728703	1994666	2729816	1785475	3745013	1861092	1661406	3170355	2787016	2815538	3283402	3099755	1969653	1665199	2084566	3375032	2984457	1259977	2624404	1956346	4488044	4517897	3343607	3267640	2787016	2701540
xanthosine	417622	407730	400890	411585	874828	861900	986619	317423	561947	390700	388675	859002	527048	417222	277017	162576	372476	225800	574291	854292	415280	475283	316847	643906	383629	398884	417622	414479	264034	354765	504190	319578	205957	227213	353714	428392	319871	842793	396902	372445	414007	260727	309624	444151	303224	263735	261034	415121	417622	421442	521664	427162	295059	327070	299160	529013	462128	179088	461052	244023	447931	435690	582010	580269	417622	413556
C14:0 LPC	101772	102274	137359	140176	151519	149352	98990	82011	124950	165799	110316	165708	80125	97201	133004	72249	91597	66569	122760	147633	121435	144389	108952	109957	111891	119074	101772	94392	103220	124357	83782	128755	74076	102129	106618	81980	107290	125446	126271	63336	106306	111171	118594	86381	96477	63823	66668	106623	101772	105256	108478	93118	73519	70567	67027	73804	88084	59224	105803	66821	177219	184963	105940	100923	101772	101254
C16:1 LPC	222392	218327	225589	239260	211166	225437	196319	139328	374418	343599	301669	382046	193796	192198	240360	145660	205819	164662	304336	340343	228220	322064	217529	234179	239754	239391	222392	219120	194817	232120	164852	250227	167414	208916	237916	192373	234901	283056	247254	117258	216771	209257	234604	148720	222029	127508	149860	207626	222392	217065	221199	218432	169044	166710	151498	160691	177622	137307	201180	154133	309576	298793	162270	160470	222392	218794
C16:0 LPC	35741982	35502705	38009292	37940313	41842364	43644645	37370632	30526401	38610525	49916357	40623925	43449556	37441266	38274287	41964823	27853262	31159238	26865922	35526929	36786361	39127174	35939807	32861544	31858718	33450416	34255307	35741982	34771362	36479825	40263497	37103141	43318396	31137702	35500559	31570446	30701137	36201399	40907725	44655492	29146295	37808253	38367128	40080334	34241218	36519035	27891879	28897381	39209817	35741982	34476722	32702325	33132388	26798544	27643656	27723311	25371487	30888523	25677008	38736100	28323062	42274831	42881535	30906384	30083842	35741982	35869239
C18:3 LPC	942532	916395	972250	994203	999328	1070411	996825	809458	1024542	1194996	1117520	1153969	943102	967424	1001130	731484	846607	739244	927855	1009190	1013289	989355	845358	915116	898446	900521	942532	912314	895630	1004021	896127	1031693	740807	930898	874526	877778	1017440	1071759	1074939	761867	992850	927668	1009284	857710	942448	790691	762757	960199	942532	906656	951453	937410	753875	801182	736006	726826	893700	687682	980884	739497	1136041	1140448	840828	796688	942532	963455
C18:2 LPC	3481500	3457539	4063542	4012638	4463887	4553713	3163728	3068615	4105730	5121693	4142545	5408809	3270466	2775624	3743050	2546911	3081707	2524819	3533920	3292961	3404358	4762519	4226505	4241207	3604148	4356937	3481500	3428017	3478464	4600577	3183561	4223822	2959497	3472003	3221113	3225641	3667324	4679929	3901869	2363504	3802998	3510613	3595570	2769379	2794850	2678044	2839709	3519979	3481500	3405491	2667796	3020431	2171783	2659961	2437543	2132586	3202324	2056202	3579591	2889787	4092119	4176953	2945781	2929499	3481500	3488175
C18:1 LPC	1795730	1743074	1891869	1916956	2096025	2081429	1695295	1620877	2154933	2589259	2165238	2355840	1877946	1769019	1993738	1332307	1671049	1324834	1948517	2133576	1938287	2151148	1813276	1757464	1741051	2100588	1795730	1809817	1612603	1939830	1811572	2023218	1364493	1876205	1869379	1596739	1878873	2234605	2060589	1274332	1763262	1735950	1868994	1495921	1832496	1484458	1416017	1940299	1795730	1759945	1631986	1849335	1353853	1439093	1240010	1283171	1559917	1229341	1932715	1430379	2057308	2081066	1494338	1487441	1795730	1772379
C18:0 LPC	18572109	18313766	16205138	16427236	19532577	19415403	15889339	16408250	16253540	21289077	16124451	17225770	19155457	17815623	19710425	14084825	20039962	16304524	18703757	19495000	23949697	17659800	19655862	17352147	18053357	20817083	18572109	18506895	15419020	18566479	19544558	20711772	15246587	19914490	19639038	17855378	20134222	21171317	20086090	14786990	18986556	18198004	18911330	17236155	17650784	16007774	14362602	19578949	18572109	18345617	19447406	18677091	16568205	19115406	15610437	17084679	18759755	16721288	23560325	18942679	16999071	17198105	15044611	14689678	18572109	18319802
C20:5 LPC	46613	44482	56578	52301	52769	58007	38156	41827	57034	67216	60388	74645	33913	30113	51898	31302	45677	32996	51792	50298	41113	75605	58472	70124	61857	66082	46613	42243	46015	61867	35788	53953	26406	46067	43844	45004	55868	74596	37342	24718	49122	38686	42227	32593	29540	31121	35539	38681	46613	35793	41401	37273	29978	33104	27118	22583	45230	22586	44164	40500	62549	62600	45976	43355	46613	51729
C20:4 LPC A	787808	798481	807786	831718	1012291	1023587	795971	706737	772997	1142105	658406	871762	1030239	829667	945566	673443	783752	507448	663875	791049	794889	724720	738062	749910	877135	841332	787808	785208	747525	776549	929993	970529	664027	750073	724411	633693	711988	849500	1012184	629833	876049	832297	1020052	818764	857816	675162	741906	962171	787808	769382	575547	544685	518808	674523	529719	551386	779971	560303	957201	736190	809004	789237	657349	629082	787808	778263
C20:4 LPC B	1466898	1474364	2026306	2065573	2530746	2635281	2102247	1388274	1450911	2002259	1570428	1531743	2122531	1794230	1919719	1366587	1296251	983352	1585763	1910302	1397646	1160752	1293974	1444654	1350441	1488224	1466898	1458679	1283474	1472689	1825832	1953731	1129419	1180945	1948914	1196906	1279518	1829082	1987748	1197984	1632685	1704340	1854394	1437358	1756815	1728320	1286704	2122798	1466898	1495904	1372546	1878824	1257900	1217437	1069852	1062991	1469500	1058907	1606219	1360804	2208465	2179849	1735822	1730579	1466898	1443210
C20:3 LPC	130909	145547	141937	147280	176055	175940	165067	124717	151504	187635	140842	169604	266486	126965	139622	95883	136471	112394	147985	173648	143790	158389	128100	146321	146204	168508	130909	134536	92522	185127	146106	158631	217508	135844	165300	144362	135904	189245	148619	72169	134493	115899	136079	117489	136293	122105	95124	212873	130909	130608	153362	134812	110250	129228	91008	91256	143351	85932	152827	120454	138224	137869	98907	106197	130909	118910
C20:1 LPC	27479	33114	31540	32244	35264	38620	21672	30892	33462	31529	32594	27441	28933	28243	25182	22178	20798	21642	30966	37795	30174	31232	28764	27990	27606	39408	27479	25419	23717	28065	30738	26963	19045	25779	32611	26797	25402	33912	30157	26710	35993	26844	31712	22102	30537	48209	26604	30981	27479	30623	34507	40093	36272	32822	25718	19674	29493	22010	33086	21356	33798	32265	30613	32117	27479	25697
C22:6 LPC	390261	405529	376496	376324	489566	515031	364664	233037	301931	479943	308128	359247	401512	366875	426361	270288	389993	310002	479788	571769	482785	397165	389156	432608	436700	417574	390261	365829	285634	341472	396382	449536	277873	392969	513407	355116	434090	652575	470382	238273	395733	411274	501973	330046	424772	249953	256721	434123	390261	396121	376129	487927	334503	361003	333246	325892	424337	308400	558686	372663	420256	408820	276437	284079	390261	402639
C22:5 LPC	81519	90899	99211	95553	113451	123482	91408	56511	91199	153191	79966	108267	91138	96677	90812	63549	70665	56252	94543	117173	92574	87428	84936	78150	90398	88297	81519	74855	65257	81129	80880	97424	69758	75615	91911	67437	77064	123503	108024	51937	85735	91387	100003	68713	84908	50945	54878	84145	81519	83642	71563	87687	60768	67851	62836	52611	78965	48617	99621	62485	106810	101245	61336	59249	81519	82989
C22:4 LPC	33334	34801	41899	39120	52105	55666	30265	20533	37486	56794	32571	41801	28060	35791	33683	24329	28755	20564	27977	36558	40897	37494	28431	27873	36722	33316	33334	29304	22804	23361	29720	41684	16691	33233	40895	25915	25850	47790	51500	27732	43414	40483	50009	31314	42258	24374	22145	38782	33334	32739	36634	40404	31822	28740	27648	26860	37066	25022	50283	26581	44297	39242	29997	24324	33334	32026
C24:0 LPC	297537	282692	340087	343596	420196	423425	374259	248670	326812	363834	333420	291657	383049	424360	380677	252828	236898	189475	290837	265183	261289	230982	195603	221531	196721	251229	297537	302278	232687	277892	410655	405220	271651	242972	274207	231335	197484	253280	431327	312400	409947	399626	321681	325018	368358	319148	267501	510810	297537	299513	278660	208967	259665	213024	212911	164551	261641	202046	295631	241070	333335	352969	298465	303312	297537	305433
C16:1 LPC plasmalogen	946259	843249	1199374	1286037	1084217	1176048	1142082	1078772	885339	1027555	1323258	813846	985634	982827	895644	814607	852221	636555	891478	821974	911890	702466	460193	634632	748910	710372	946259	767007	1120372	860480	1089065	1256580	685260	752372	1075314	623100	984134	747328	1235322	942432	997146	944093	918227	895463	1518255	1185022	814950	1045533	946259	948351	1064390	1445534	854491	888409	589951	657266	732780	649629	678757	744461	1497169	1413281	1579453	1494765	946259	1050846
C18:1 LPC plasmalogen A	96000	94022	103375	104190	107539	119685	93020	67278	73788	105663	130741	89564	103365	98410	96777	60975	103603	79622	77945	116171	123297	75052	70570	80752	98618	77631	96000	89334	71344	72154	75346	90578	51245	124844	110140	75037	106665	105568	100388	74800	99383	90847	99817	88297	137655	79616	65680	123054	96000	95331	98900	141896	89677	98218	93796	92825	107602	86234	133344	95280	126567	122506	93496	84403	96000	94248
C18:1 LPC plasmalogen B	39242	47504	61814	54844	71128	77860	38182	33676	46094	58314	52893	44540	33639	43241	37690	24124	39290	28207	32485	39760	55006	39862	28453	27749	34649	37414	39242	38590	31999	33271	51377	43424	24064	42897	43450	32650	45333	55168	45642	29019	46379	42859	42715	36155	40208	30069	27692	46160	39242	40104	48244	52026	34448	35981	30554	27900	40922	28543	58300	35018	60916	64492	74548	70729	39242	40165
C16:0 LPE	1270364	1213711	1175277	1221565	1365409	1347139	1327637	879582	1119240	1472175	1372621	1219852	1200320	1209561	1278344	905598	1196881	1126679	1474164	1559998	1617361	1431349	1274241	1230639	1267397	1317648	1270364	1254628	1103037	1166825	1299831	1455341	1068541	1485512	1198793	1163358	1291888	1598162	1404977	1048738	1222286	1243034	1405595	1163962	1465117	902439	996138	1457029	1270364	1261714	1328236	1449253	1148475	1208004	1304497	1157292	1255294	1139676	1550775	1046550	1412009	1430820	985775	951288	1270364	1286647
C18:3 LPE	103682	95340	95810	96011	106903	103897	102595	68345	91452	116819	109546	99414	97337	99866	105466	80645	101286	96899	123582	130552	124732	116242	108925	106748	109953	113248	103682	103819	90911	96313	106431	116494	87818	118414	102613	99003	108545	134020	112444	90131	98685	99936	113252	94241	116236	76771	82849	118627	103682	102032	104107	115648	97251	101610	107769	94750	101710	91446	123571	86617	110592	111757	78842	78903	103682	101609
C18:2 LPE	60029	58145	79454	79751	104581	96281	69509	37004	57828	71175	84328	73917	49412	57453	58199	37023	54080	53156	74893	87629	68260	65376	50216	62841	67285	64090	60029	57685	55308	62514	69489	68258	40385	72551	66896	57077	62851	91510	69517	44431	60154	56106	60676	46611	68713	40387	43225	64635	60029	61598	63542	94516	55330	55380	51497	48236	56001	38974	61277	46818	99736	95564	65540	67716	60029	63586
C18:1 LPE	642205	652487	751391	775739	916507	897863	785602	415809	593118	717004	787983	640522	590448	672744	615920	444616	620841	596495	691773	933022	733048	623791	491370	651223	713867	586830	642205	637324	546500	549208	723392	657858	458622	768236	725540	553742	668853	921619	748828	502947	586305	565588	700436	498106	755254	445334	461822	681811	642205	648789	717708	1144712	612286	603815	555550	551935	640461	499691	647607	548413	917992	890534	608591	621173	642205	648745
C18:0 LPE A	2042303	2106535	1914527	1967028	2155510	2099439	1955268	1569879	1940666	2400307	2295328	2093565	1848514	1899608	1847691	1376422	2059358	1787565	2101840	2202621	2538773	2288567	1852333	1744776	1959425	1948615	2042303	1979544	1514128	1798481	2034071	2007353	1591966	2326177	1948090	1692911	2174111	2330895	2315336	1833624	2047260	1868772	2103142	1729914	2088936	1504585	1597733	2095913	2042303	2076507	2386171	2580103	2034370	2188565	2099371	1907046	2253626	1925829	2283095	1757537	2142335	2098907	1687376	1710858	2042303	2045441
C18:0 LPE B	189131	186320	261099	266956	299416	302015	201257	173949	245079	272344	227006	253923	186326	207481	230303	138109	170188	121046	187867	195566	205609	206254	183976	166595	163145	219443	189131	193843	193303	254137	195935	227634	134982	183149	172756	165693	203818	222047	244580	156169	203349	205437	185969	163129	177410	140262	148947	203816	189131	176845	156799	155933	144450	153936	132432	111962	167737	128257	209868	142456	307371	325049	220536	215643	189131	187773
C20:4 LPE	2033571	2094170	2746356	2710085	3144089	3015448	2721313	1348003	2007642	2545302	2281345	2184992	2024406	2343024	2033429	1533364	1852105	1508636	2131820	2957595	1985804	1767020	1479236	2104974	2106622	1716908	2033571	2060347	2012992	2053181	2894544	2222647	1390815	2040671	2300194	1606135	1960574	2698809	2553220	1632482	1909418	1788361	2125809	1537893	2195901	1627741	1497568	2334673	2033571	1991262	2256589	3104565	1636263	1553907	1433332	1701886	1958550	1435855	2165051	1628102	3042072	2918365	2063470	2058169	2033571	2087461
C20:0 LPE	604250	586107	707599	699898	893639	883734	584435	580937	703985	817204	633125	692405	636474	686348	766515	500600	587172	418445	551639	583706	646291	548991	571347	523087	532684	661011	604250	613675	646126	813326	763065	762483	504098	573257	564235	519815	613888	655869	811911	524418	654570	675771	659202	594727	561624	545551	515776	699634	604250	600861	524728	501123	470034	568849	438241	421881	563791	423081	710022	505036	769216	777339	645633	640815	604250	606004
C22:6 LPE	118317	116129	109431	104885	117438	122372	111825	47269	75299	100223	80661	93969	87121	89796	85605	66791	114314	79689	137548	198445	148827	105799	89626	114867	137633	118449	118317	115067	90137	93559	127152	117091	62551	125479	137371	96823	132885	170008	126897	87318	102675	88167	111016	79175	108826	77393	74706	131090	118317	108980	137073	153481	105900	102261	116053	127764	124818	93800	158716	97989	127377	116117	71177	76383	118317	118207
C30:0 PC	13771627	12445202	13183853	13909098	13826968	13642829	13379196	10036844	11572070	12737864	11323874	11526569	13244192	13465134	15547025	11559854	12841722	12723431	16106230	17106342	14730798	14952825	14663418	13338907	12346983	12936356	13771627	13789715	10828437	13027858	12243217	14982467	11137156	13970133	12512465	12959181	13478583	15446638	15398704	12832169	14657868	14071199	14495577	14025136	13873397	10832462	12093004	15933742	13771627	13646376	15919564	12747845	14159820	12178804	14151056	13325065	13480110	12322032	18471404	12843695	15348672	15554359	12411180	12348232	13771627	14044326
C32:2 PC	1643793	1561006	1747333	1824045	2087251	2059131	1333013	1253668	1502932	1505504	1340879	1607515	1341261	1466017	1655740	1220035	1714821	1631807	1880473	2296823	1820301	1724037	1555554	1675364	1698166	1648460	1643793	1595166	1482749	1737453	1464896	1580106	1260808	1852653	1640927	1460719	1762806	1775571	1783036	1357311	1610480	1623012	1526536	1613931	1423000	1147989	1387105	1459798	1643793	1633963	2028131	1547276	1782039	1735779	1716327	1738490	1662023	1534381	2268760	1690417	1936931	2092643	1830212	1780570	1643793	1627604
C34:4 PC	711138	666808	914790	895190	847770	855162	754524	617034	713391	742962	707388	726664	705715	795297	838576	697293	665095	655648	691037	824284	640547	716015	676943	746807	700679	653029	711138	722980	716019	761025	639921	742648	638982	764155	647014	589291	642707	686282	718894	591885	710057	726892	715218	692451	684046	625721	733035	726506	711138	652895	687410	523768	686332	596971	713362	654367	604003	703411	849711	684462	998616	1021108	904379	869048	711138	749065
C34:3 PC	8669909	8244528	8272015	8521204	8735962	8793995	8499618	7622071	8635871	7992811	8509428	8193766	8358820	8135459	8392521	7895271	8685032	9207666	9647864	9923888	8461239	9048815	8738348	8731349	8619695	8668205	8669909	8653361	8014502	8619252	8153805	8544850	7199786	8674464	8754277	8823085	8672276	8988850	8421695	8529368	8476776	8276649	7931765	8034042	8278747	7730653	8130454	8456635	8669909	8693643	9094038	8510935	9379514	8835080	9365122	8547631	8775710	9215873	9475473	9124379	9045663	8995142	8933655	8887376	8669909	8512095
C36:2 PC	101998810	98767223	98576315	98583347	99109592	98418899	93381419	112550819	113351026	108191153	112629241	110905793	91862153	91418009	93721512	95711221	104067949	102308188	106551018	97943155	109379425	111292255	106603392	102610900	103546770	105053489	101998810	103307612	106196743	116872444	106557466	102550421	103828544	105086734	101136787	103608537	108060008	107805621	96895090	100023034	99745575	97178694	94121321	94414674	88180374	97258206	94944476	98865976	101998810	103798479	100338706	106118241	96339233	96409314	97470444	93780587	99816620	100974736	97836586	94003834	102389608	101298802	100955240	100170838	101998810	103372238
C34:3 PC plasmalogen	1360476	1297297	1325313	1352346	1281234	1283320	1426404	1738289	1377195	1613424	1492972	1541711	1241853	1177459	1381300	1539236	1071680	1147424	1285564	1159609	1317190	1370565	1189887	1125860	1216099	1279111	1360476	1349726	2016185	1746484	1519742	1518024	1498648	1269851	1158384	1229632	1276506	1262756	1473823	1556527	1503866	1436753	1384289	1436628	1405206	1447206	1399952	1454346	1360476	1390788	1311481	1295244	1189524	1101693	1145600	1231405	1165857	1339903	1331274	1213172	1258772	1286362	1370378	1312724	1360476	1332738
C36:5 PC plasmalogen	24779517	25768926	32182080	31983256	29946995	30853165	26442553	29073216	24243877	33340634	26504269	25361341	22108677	25240269	29442326	30972572	19015570	20541524	20303192	20779073	21932936	23969132	18262160	20775789	21628058	19434620	24779517	25092561	37765010	29209505	29865904	31528320	27598433	22362832	20592789	20646256	23407739	21497217	32532467	27665481	28840132	30744231	30379064	27594350	28939467	25631641	25546591	27237236	24779517	24634952	22290475	23651400	19744005	17670436	18634286	19822253	20407408	20128081	24521480	22058342	32435838	31884705	28109743	28157380	24779517	25332785
C36:3 PE plasmalogen	5450749	5350999	5118084	5038053	5273759	5068791	5035418	5215942	5184365	5314747	5340642	5332390	5367345	4502907	4566461	4408693	6292038	5319407	5639805	5266844	5685498	5781502	5800962	5272309	5564762	6045330	5450749	5501640	4473773	5592925	4736662	4845174	4953925	5811063	5941709	5606097	5301757	5224766	4401625	4952209	4792977	4751843	4519654	4775426	4755353	5063610	4993156	5260910	5450749	5548587	5696210	6041589	5815202	6396262	5994600	6420552	5761917	6526244	6139318	6015839	5245813	5143392	5165774	5214906	5450749	5681333
C38:7 PC plasmalogen	3802988	3941631	4164104	3980291	3988831	4299059	3253173	3513959	3316121	4763042	3460085	3504995	2917306	3176065	4068776	3654722	3230416	3543692	4046469	3994398	4538172	4604685	3637630	3750530	3965138	3946529	3802988	4028841	4650822	4079516	3840999	4394212	3470950	4469539	3991164	3672664	4335849	4412743	4370261	3483078	3841875	3992348	4211814	3615927	3807919	2953894	3095431	3739249	3802988	3671208	3824531	3980248	3323250	3016206	3595488	3383137	3605612	3181260	4833267	3575089	4029519	3988987	3094928	3252515	3802988	3791850
C38:6 PC plasmalogen	16036790	16429021	19593172	19109083	19448213	20064388	16742397	17482807	15882670	21641082	16264982	16252724	14263785	15430973	18979000	16825143	14411478	14096587	13887429	14718705	17214700	16472658	13320326	14397626	15323282	14460665	16036790	17019276	21496899	17028942	17024169	18798756	15615637	15883863	15891186	14519186	16075235	15239537	19419629	16454215	17659576	18559275	19403975	17306517	17581676	15185365	15354068	17894572	16036790	15819419	15564295	15919578	13853264	13041464	14046978	14252254	14682219	13585943	18148753	14377403	19285893	19096544	15960701	16678201	16036790	15528916
C34:2 PE	8611050	8585980	7907200	7856992	8238573	8100190	8400411	8011272	9128453	8835214	8967684	8897354	8571180	7859968	7368288	7006640	8580397	8573491	10225872	8642964	9246834	9902830	9940589	8793149	8010972	8911971	8611050	8968251	7735007	9612309	8509898	9262846	8253492	8636029	8022599	9441751	8948809	9008389	8555591	8732069	8359095	8219811	8209429	7687215	7917768	7382345	7873457	9297839	8611050	9204667	9154227	9591869	9086382	8158372	8719479	8020431	8328159	8361079	8207979	7926567	8288253	8348134	7418917	7176088	8611050	9007295
C34:0 PE	5900151	5498607	6488228	6683656	7141631	7035423	6565244	5513545	6126749	5592404	5582442	5748461	6566641	6322713	6298366	5180871	5705419	4821100	6065150	5613870	5484567	6168714	6358484	4930883	4595413	6264147	5900152	5954317	5109224	6315803	6020106	6058816	5256950	5510252	5399600	5774670	5548453	5797208	6253322	6894141	6442910	6315185	5615787	6222341	5801725	5373343	6076257	7131442	5900152	5852231	5605167	5193246	6336696	6130077	6195980	4984247	6203162	5745242	6411769	5422582	6723300	7011942	6936597	6824211	5900152	5928903
C36:4 PE	32937188	32307066	32540990	32390142	34778389	33853837	32099340	28040088	31075547	34985357	32129324	30789382	33721819	33045002	33625362	29664179	32689448	32643180	33533899	33788277	34344689	34517787	34497397	33750340	32795474	33375879	32937188	32881508	30923930	31397005	33496049	34790079	32110530	33580231	31666473	33472733	33223820	36814773	35005863	31689624	32965852	35115505	34349219	32541439	33604042	28562525	30011338	35389995	32937188	33121076	32451603	33068609	32457190	31476744	32959928	29896833	31861610	31526224	34734601	32388368	34343108	34710277	30246847	30360118	32937188	34056942
C36:2 PE	7549995	7514093	7321379	7295039	7021928	7012251	7280665	8053484	8608137	8118404	8773816	8141871	7351177	6996261	6278947	6675027	7733558	7624887	7980926	7188763	7671196	8183623	7993649	7508374	7389891	7833228	7549995	7516186	6612970	7859848	6907159	6891360	7322785	7815479	7655657	7861743	7149827	7898669	6836743	7758176	7498197	7127727	6746349	6907905	6329231	6774113	7451015	7510957	7549995	8145641	7821303	7761432	8076056	7558341	7591776	7514947	7727042	7719573	6835680	7208338	7303299	7351852	7064815	6868958	7549995	7951969
C38:6 PE	8300136	7955636	7290110	7110081	8186490	7964273	6565202	6079216	6785343	7895059	6832922	7232815	7120399	7014772	7451781	6245627	8802126	8360497	9141761	9128541	10289361	9171633	9917465	8770836	8952318	9743505	8300136	8344435	6960645	7636863	8094856	8590761	7324075	10446772	8483336	8498815	9378593	9974929	8474109	7206471	7630315	7945929	7890030	7685899	7757362	6105452	6695950	7946433	8300136	8226048	9166314	8990976	8534809	9180701	9979735	9039862	8701787	8995386	10510040	8928327	7994580	8099967	6714178	6884784	8300136	8551430
C38:4 PE	49361764	47651589	49243299	48394895	49853303	48570552	51170661	47244564	49193510	51110290	51560690	48071900	51852097	49946282	50817553	49061122	47510941	46924198	48618678	48639678	47939664	49274694	51890738	47848268	44989812	49263599	49361764	49738438	47005406	47794562	49725990	52731429	51827647	48124392	46929634	48754882	45039772	49862153	50014688	52342547	49399354	51497100	50008880	51748208	52401629	49357297	50929724	57037630	49361764	49728293	46034061	46254416	49291404	47386014	48695323	46460881	46312395	46715092	47617235	44788142	48184227	49374885	48718787	49150488	49361764	49851629
C40:6 PE	1223631	1209828	1013598	975260	1007588	973805	957567	951122	988863	1103841	1003032	1039571	960437	1036913	1044888	1013458	1420107	1201353	1317369	1385847	1613682	1308304	1453722	1233700	1325807	1409104	1223631	1253013	986834	1067322	1073942	1181715	1056564	1645685	1350372	1271273	1327836	1349762	1126083	1073534	1142007	1132678	1175818	1142871	1118029	908713	993079	1181482	1223631	1241337	1390820	1264731	1346100	1438590	1526200	1494438	1324935	1426837	1536639	1195022	996543	994807	930920	932001	1223631	1203754
C34:3 PE plasmalogen	798976	796908	808517	798470	763357	759564	859785	838385	854321	887298	914390	851607	897830	766538	789095	750747	730552	732678	830067	728605	753758	807339	788469	716502	705437	775638	798976	807722	836218	968289	823116	860941	865021	723963	727882	809379	742270	779829	765215	874749	799270	835137	752903	796113	794643	805776	822820	913134	798976	836082	775576	783213	788746	714829	770750	749435	727209	732979	722739	699613	768853	786204	765415	743383	798976	816430
C34:2 PE plasmalogen	995042	947676	870323	897316	864206	841557	1015583	954798	953524	928011	938532	862640	1071619	989139	962522	996074	1040894	1055514	966460	960559	940128	992707	927869	931826	980890	922884	995042	1008941	935556	1002949	964427	959204	998907	954379	1004925	959853	970721	950884	950769	1076874	998350	930351	933277	974284	940726	980083	1018903	1075801	995042	1047022	1002183	1050532	1055304	1004519	941283	1022970	982700	1106738	932546	962152	869495	876767	941268	931851	995042	1016534
C36:5 PE plasmalogen	24911866	24548352	25242815	25136015	22998667	22822769	24809261	25334794	22933189	26119470	23999356	22759025	22038789	24625036	26024148	28223674	25033162	24621658	23828704	24111175	24705320	25690259	22248701	24683128	26066362	22045087	24911866	25236654	30028526	25141884	25548575	27999694	26110118	23912244	24277928	24769316	25027299	23675329	28122559	26752583	26250691	27573929	27589709	26671250	27370702	24993819	25225676	26224011	24911866	25647516	24471530	26029741	22794710	22630952	21156691	23029477	22806016	23094506	23278109	22126139	24326125	24627738	23605748	24015476	24911866	24613026
C38:7 PE plasmalogen	5865576	5695750	5745756	5598279	5824966	5852955	5468512	5211659	5024791	6185620	5035539	5318890	5157625	5512195	6434260	5797715	5951582	5489816	6088849	6097219	7302889	6410578	6058738	6045028	6180672	5887204	5865576	6151840	6726606	6328787	6342897	7101537	5953467	6658495	6141513	6365151	6457901	6391812	6574750	5612555	5959505	6526494	6388927	6215845	5956387	5094777	5525070	6308568	5865576	6043903	5845180	5951143	5302695	5416978	5645056	5378386	5370736	5547289	6568146	5294782	5981046	5811558	5216953	5317934	5865576	5909217
C38:6 PE plasmalogen	18655849	18352061	20213056	19835721	19420572	19306080	18735462	20545433	18629081	21906417	18324322	17452045	16306002	18034161	20282727	20649709	18314575	18105162	17903369	18466769	20457356	19823375	17056258	19164040	19719743	17364868	18655849	19326212	24237000	19535458	19400985	21612243	18519074	18777406	18826498	20393568	19233963	17391035	21176422	18905654	18603841	21517880	20449394	20039407	19332728	18746165	18634061	20065579	18655849	18724354	17577063	19012152	16485886	15566615	15222288	15997736	15729201	17570579	18891048	16323036	20221780	19785416	18887708	18928346	18655849	18731546
C38:5 PE plasmalogen	21156584	20748671	20114845	19688268	19121563	19066591	20599905	21249869	21207749	21415153	20030250	20564675	19894249	20961046	20103364	22490226	22619768	21360816	22170329	21060423	23124705	23449872	22845698	21470677	21561321	22253255	21156584	21830194	20993162	21204857	20647596	21393868	21480594	21789315	22848914	22483765	22659363	22122295	19020525	20586536	19931507	20842039	19607888	19988045	19516784	19378863	20502611	20738128	21156584	21142199	22523728	22016581	22302903	20278109	20007434	21314790	20514237	21531903	21386286	20262965	20012101	19631807	20354796	20379402	21156584	21288885
C40:7 PE plasmalogen	2524519	2580882	2138565	2097369	2302123	2249370	2258432	2219686	2517833	2693810	2345733	2413901	2586045	2420943	2388511	2319278	2829916	2409795	2850904	2717497	3274924	2867246	3236859	2707841	2628867	3114075	2524519	2607226	2213833	2563990	2408519	2783961	2430154	3086188	2852502	2749562	2820446	3003500	2232746	2156134	2279090	2438030	2313776	2358485	2191772	1974576	2135298	2661748	2524519	2415477	2740563	2491315	2504713	2516935	2696104	2610250	2563725	2784293	2977859	2542189	2037903	2119383	2053141	2154682	2524519	2558270
C36:2 PS plasmalogen	194650	203253	306062	306010	316243	311303	165433	147244	199835	216434	197129	183187	149226	185550	192067	169070	255573	243674	254685	324183	273252	241201	194037	238956	268895	209489	194650	202476	186289	228275	217515	193758	124064	277129	195960	264499	343570	307575	231914	127721	184629	160711	156091	129849	141179	149214	99496	114151	194650	185065	202400	161470	155831	143425	111155	183721	201561	144067	245785	175929	351145	385773	244164	229960	194650	186011
C14:0 SM	102203	104877	91130	122959	74293	85546	81954	131651	85438	106067	97911	65731	83269	95867	125369	98918	138176	102006	154228	132806	157878	141789	71441	113836	101687	122845	102203	113544	78465	92163	127275	141874	86909	119378	149797	127391	113112	89774	105448	68566	75459	116238	56997	70870	83151	94917	76100	94979	102203	92075	102322	111238	91751	80719	53670	80125	90597	190612	142648	119366	95970	119146	101734	89904	102203	87525
C16:1 SM	15441661	16474876	15756811	15890014	19995443	20279943	15694368	11403574	13644953	17877702	15084896	13883527	18170647	15228413	17214818	9976894	15098829	13553725	16244545	16245003	19543757	16243571	16795216	15895684	13719626	16664855	15441661	15622418	12070671	12873309	16023390	18318831	13502196	15347283	14866088	15921679	15586417	19178504	17101379	11897778	15353516	16410914	15520632	15187303	16224239	12399260	12601330	18337612	15441661	16111560	15876711	17528529	16418058	14861663	15830540	12063843	15343514	14540321	19798956	14807741	18032139	17182907	13090758	13617536	15441661	15433641
C16:0 SM	149710823	156255827	151152108	156506876	138176993	143573028	158510191	160888961	143898963	149917902	161702029	123725503	148739643	142194677	137714345	146629600	144956525	142764775	145422963	146412393	155220738	164635576	139201618	136927342	137632057	131052184	149710823	152777485	148637155	123116483	139484498	151028055	144471013	126337316	143604496	153040641	118298448	127414156	141204639	161505212	140111467	140975376	126548576	139052913	151938323	163890869	157278769	164507315	149710823	156265302	142076487	143132417	146425411	141640611	138678766	143774372	138542997	188575624	146443584	144048443	151240807	144357619	150399130	157467731	149710823	156707184
C18:1 SM	2590096	2523651	2406667	2430556	2756025	2934750	2578162	2023657	2469735	3060597	2545345	2551984	2512143	2449894	2322525	1876723	2500468	2355684	2584073	2880426	3153865	3059436	2898533	2281761	2430492	2745688	2590096	2535736	1785000	2054347	2524478	2699677	2160689	2906300	2464706	2377674	2885946	3053606	2560555	2274910	2513667	2569696	2621698	2314221	2381737	1909358	1960371	3154133	2590096	2711811	2944163	2869418	2847058	2587521	2871913	2206945	2627835	2530909	3463955	2661232	2551032	2638396	2193784	2299807	2590096	2722577
C18:0 SM	5540485	5334691	5436689	5486141	5212723	5627653	4946855	5187989	5404546	5755309	5754972	4909953	5558869	5166015	3973618	4634943	4989124	5249231	7497599	5772746	5322098	6055159	6029008	4579613	4628475	5328259	5540485	5446780	3630082	4274019	4724531	4425850	4737876	5130092	4900788	5649568	4260382	4675349	3949206	6040337	4355319	4172963	3496426	4105956	4206209	4927130	5026339	5638709	5540485	5800501	5411185	4760020	6012851	5273159	5539117	5230055	4881990	7065075	6385640	7081584	5133112	5428265	6296690	6695148	5540485	5726588
C20:0 SM	1534467	1411313	1298728	1321190	1100799	1259446	987601	1302839	1310193	1525236	1480831	1246761	1358071	1329104	1074699	1393901	1412335	1639132	2707235	2013694	1540312	1820841	1766473	1569368	1407317	1645491	1534467	1777186	1097497	1471087	1289645	1165462	1070136	1428410	1437691	1772185	1239706	1213437	1018936	1447728	1048610	987453	703253	999373	1058088	1258981	1316454	1190714	1534467	1608762	1416103	1266422	1636148	1379323	1372481	1434458	1301617	2198205	2083417	2701686	1330069	1370251	1712496	1723581	1534467	1637773
C22:0 SM	21089792	20107893	21154719	21015969	17721238	18835918	16237138	19358652	20815842	23654117	25489765	21091910	23052686	19594848	15832549	19070114	17443239	20352142	30370834	25066011	20597846	21383850	26308875	21244592	17532659	23135918	21089792	21433611	16143078	21809117	21841266	17874316	17795704	18404988	17852986	21794371	15059449	16489316	15526413	21346088	16749550	16068016	11988059	15482409	17028035	20351412	20807703	19065036	21089792	22493927	18739409	18464571	22780877	19878460	21463832	19938066	19064398	27717090	27107013	32800670	18287151	17622168	23926873	23177330	21089792	21423696
sphingosine	3057750	3067864	2720792	2766328	4142745	4253097	3115203	2537591	2941366	3889084	3433001	3155616	3354240	3489985	3507823	2399787	2913905	2804738	3333991	3990643	3945907	2839301	2472026	2460168	3073062	2818044	3057750	3102924	2749031	2994862	3340346	3270191	2684989	3210893	3015914	2530303	2740099	3346797	3845861	2727014	3064052	3167058	3376723	2908868	3206686	2156743	2388242	3535399	3057750	3097273	2868222	3300734	2984242	2582173	2684071	2685877	3036946	2609594	3279096	2684991	2978043	2919683	3113242	3044129	3057750	2980693
phytosphingosine	4550276	4512339	2156120	2162851	2172124	2228688	3298771	3694880	4153607	4423227	3687163	3758714	4138448	4546356	4318736	3408471	4798274	4861736	4779135	4955290	5204239	4603785	4268736	3901111	4735640	4446675	4550276	4448926	3938172	4227056	4577201	4207614	3482205	4545881	4361851	4163673	4564303	5161178	5706726	4233120	5012809	4221182	4928474	4417883	3984496	3358491	3636218	4538517	4550276	4637089	4868143	6134253	5182988	5193597	4466956	4094516	5021895	4828858	5044659	4688665	2465895	2399750	1955655	1880173	4550276	4581522
sphinganine	394152	407452	365719	361845	513557	524251	384931	344214	380840	446213	490212	359484	400695	443586	401779	304404	396497	371325	669953	468992	430498	354701	392414	351018	340149	381674	394152	392211	271459	339263	369392	372324	316115	473518	428292	440843	362386	388099	425721	369073	392297	377092	366718	343060	441758	324174	260009	475595	394152	392908	397040	466621	442923	341393	343518	356876	330514	370407	515238	304833	399579	382513	437632	435570	394152	388051
C16:0 Ceramide (d18:1)	1268021	1193051	1598323	1546428	1691962	1703059	1413739	1093378	1163270	1271425	1126904	973510	1254159	1357779	1232078	1068399	1244373	1321012	1130467	1663215	1367754	1424884	1031135	1076009	1107983	910450	1268021	1290334	1167987	987992	1235087	1136780	906197	1059444	1240035	1047481	918006	1186131	1186431	1333385	1201370	930581	1092065	1134039	1259634	1088148	1070701	1310939	1268021	1224799	1095639	1169368	1184235	1084661	945274	1336436	1277196	1829673	1513622	1462867	1803878	1781741	1749817	1758918	1268021	1356683
C24:1 ceramide (d18:1)	3365238	3869081	4331633	4619486	4848734	4441465	4696858	3989877	3939895	5427135	4272897	3726966	5411064	4757108	4144402	3572679	3503472	3954107	5235384	5646424	4911426	5414230	5055084	4038583	4138238	3938234	3365238	3619892	3224977	3359536	3572906	4134649	3510540	4239350	4744405	5385345	3456655	3789394	3503894	4364969	4344569	3664137	3252667	4727607	5396130	4914219	4215684	5199059	3365238	4500491	4855003	4540922	4962787	3996779	4018652	4661764	4711373	6438011	4654926	4869273	3798920	4358908	3831721	4173699	3365238	3234050
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	formula	mz	neutral_mass	refmet_name	rt
phenylalanine-d8	C9H3D8NO2	174.1356	173.1292	phenylalanine-d8 [iSTD]	6.72
valine-d8	C5H3D8NO2	126.1367	125.1292	valine-d8 [iSTD]	7.41
1-methyladenosine	C11H15N5O4	282.1192	281.1124	1-Methyladenosine	7.68
1-methylguanine	C6H7N5O	166.0717	165.0651	1-Methylguanine	5.25
1-methylguanosine	C11H15N5O5	298.1138	297.1073	1-Methylguanosine	5.08
1-methylhistamine	C6H11N3	126.1028	125.0953	1-Methylhistamine	9.64
1-methylnicotinamide	C7H9N2O	137.0707	137.0715	1-Methyl nicotinamide	8.23
21-deoxycortisol	C21H30O4	347.221	346.2144	21-Deoxycortisol	2.03
2-aminoisobutyrate	C4H9NO2	104.0708	103.0633	Aminoisobutyric acid	7.62
2'-deoxyadenosine	C10H13N5O3	252.1086	251.1018	Deoxyadenosine	5.21
2'-deoxycytidine	C9H13N3O4	228.0968	227.0906	Deoxycytidine	6
2-deoxyuridine	C9H12N2O5	229.0809	228.0746	Deoxyuridine	3.63
2'-O-methyladenosine	C11H15N5O4	282.1193	281.112405	2'-O-Methyladenosine	4.68
3-methoxytyramine	C9H13NO2	168.1013	167.0946	3-Methoxytyramine	6.38
3-methylhistidine	C7H11N3O2	170.0917	169.0851	3-Methylhistidine	9.8
4-acetamidobutanoate	C6H11NO3	146.0809	145.0739	4-Acetamidobutanoic acid	3.35
4-aminohippurate	C9H10N2O3	195.0753	194.0691	4-Aminohippuric acid	2.36
4-guanidinobutanoate	C5H11N3O2	146.0921	145.0851	4-Guanidinobutanoic acid	7.22
4-pyridoxate	C8H9NO4	184.0595	183.0532	4-Pyridoxic acid	4.09
5-hydroxytryptophol	C10H11NO2	178.0854	177.079	5-Hydroxytryptophol	1.85
5-methylcytidine	C10H15N3O5	258.1081	257.1012	5-Methylcytidine	6
5-methylcytosine	C5H7N3O	126.0664	125.0589	5-Methylcytosine	6.12
7-methylguanine	C6H7N5O	166.0717	165.0651	7-Methylguanine	5.77
acetylcholine	C7H16NO2	146.1172	146.1181	Acetylcholine	7.79
acetylcysteine	C5H9NO3S	164.037	163.0303	N-Acetylcysteine	4.31
acisoga	C9H16N2O2	185.1275	184.121178	Acisoga	5.67
adenosine	C10H13N5O4	268.1037	267.0968	Adenosine	5
ADMA	C8H18N4O2	203.1493	202.143	Dimethylarginine	9.73
ala-ala	C6H12N2O3	161.0915	160.084793	Ala-Ala	7.89
alanine	C3H7NO2	90.0551	89.0477	Alanine	7.76
allantoin	C4H6N4O3	159.0507	158.044	Allantoin	3.57
alloisoleucine	C6H13NO2	132.1019	131.0946	Alloisoleucine	8.15
allopurinol	C5H4N4O	137.0456	136.0385	Allopurinol	3.72
alpha-glycerophosphocholine	C8H20NO6P	258.1098	257.1028	sn-Glycero-3-phosphocholine	10.37
anserine	C10H16N4O3	241.1286	240.1222	Anserine	10.45
arachidoyl ethanolamide	C22H45NO2	356.3517	355.345	Eicosanoyl-EA	2
arginine	C6H14N4O2	175.1181	174.1117	Arginine	9.11
asparagine	C4H8N2O3	133.0608	132.0535	Asparagine	7.86
aspartate	C4H7NO4	134.0448	133.0375	Aspartic acid	7.89
beta-alanine	C3H7NO2	90.0552	89.0477	beta-Alanine	7.97
beta-guanidinopropionate	C4H9N3O2	132.0768	131.0695	3-Guanidinopropanoic acid	7.46
betaine	C5H11NO2	118.0865	117.079	Betaine	8.95
biliverdin	C33H34N4O6	583.254	582.2478	Biliverdin	1.97
biopterin	C9H11N5O3	238.0927	237.0862	Biopterin	5.12
biotin	C10H16N2O3S	245.095	244.0882	Biotin	3.78
butyrobetaine	C7H15NO2	146.1172	145.1103	3-Dehydroxycarnitine	8.75
N-acetylgalactosamine	C8H15NO6	222.0962	221.0899	N-Acetyl-D-galactosamine	5.46
carnitine	C7H15NO3	162.1118	161.1052	Carnitine	8.78
C2 carnitine	C9H17NO4	204.1219	203.1158	CAR(2:0)	8.66
C3 carnitine	C10H19NO4	218.1377	217.1314	CAR(3:0)	8.33
C3-DC carnitine	C10H17NO6	248.1124	247.1056	CAR(DC3:0)	9.38
C3-DC-CH3 carnitine	C11H19NO6	262.1283	261.1212	CAR(DC3:0(2Me))	8.53
C4 carnitine	C11H21NO4	232.1535	231.1471	CAR(4:0)	8
C4-OH carnitine	C11H21NO5	248.1487	247.142	CAR(4:0(OH))	8.69
C5 carnitine	C12H23NO4	246.1694	245.1627	CAR(5:0)	7.79
C5:1 carnitine	C12H21NO4	244.1539	243.1471	CAR(5:1)	7.86
C5-DC carnitine	C12H21NO6	276.1438	275.1369	CAR(DC5:0)	8.35
C6 carnitine	C13H25NO4	260.1853	259.1784	CAR(6:0)	7.53
C7 carnitine	C14H27NO4	274.201	273.194	CAR(7:0)	7.46
C8 carnitine	C15H29NO4	288.2165	287.2097	CAR(8:0)	7.32
C10 carnitine	C17H33NO4	316.2475	315.241	CAR(10:0)	7.13
C12 carnitine	C19H37NO4	344.2787	343.2723	CAR(12:0)	6.93
C12:1 carnitine	C19H35NO4	342.263	341.2566	CAR(12:1)	6.99
C14 carnitine	C21H41NO4	372.3099	371.3036	CAR(14:0)	6.79
C14:1 carnitine	C21H39NO4	370.2944	369.2879	CAR(14:1)	6.79
C14:2 carnitine	C21H37NO4	368.2787	367.2723	CAR(14:2)	6.85
C16 carnitine	C23H45NO4	400.3412	399.3349	CAR(16:0)	6.67
C16-OH carnitine	C23H45NO5	416.3363	415.3298	CAR(16:0(OH))	7.1
C18 carnitine	C25H49NO4	428.3726	427.3662	CAR(18:0)	6.56
C18:1 carnitine	C25H47NO4	426.357	425.3505	CAR(18:1)	6.58
C18:1-OH carnitine	C25H47NO5	442.352	441.3454	CAR(18:1(OH))	7.02
C18:2 carnitine	C25H45NO4	424.3413	423.3349	CAR(18:2)	6.63
C20 carnitine	C27H53NO4	456.4042	455.3975	CAR(20:0)	6.45
C20:4 carnitine	C31H54NO4	448.3413	447.3349	CAR(20:4)	6.52
C26 carnitine	C33H65NO4	540.499	539.4914	CAR(26:0)	6.24
cadaverine	C5H14N2	103.1232	102.1157	Cadaverine	9.32
C-glycosyltryptophan	C17H22N2O7	367.1491	366.1427	C-Glycosyltryptophan	7.06
choline	C5H14NO	104.1071	104.1075	Choline	8.29
cinnamoylglycine	C11H11NO3	206.0801	205.0739	Cinnamoylglycine	2.6
citrulline	C6H13N3O3	176.1021	175.0957	Citrulline	8.3
cortisol	C21H30O5	363.216	362.2093	Cortisol	2.04
creatine	C4H9N3O2	132.0768	131.0695	Creatine	8.27
creatinine	C4H7N3O	114.0665	113.0589	Creatinine	6.47
cyclohexylamine	C6H13N	100.1122	99.1048	Cyclohexylamine	6.44
cystine	C6H12N2O4S2	241.0303	240.023848	Cystine	8.99
cytidine	C9H13N3O5	244.0923	243.0855	Cytidine	5.85
diaminopimelate	C7H14N2O4	191.1016	190.0954	2,6-Diaminopimelic acid	9.24
dimethylglycine	C4H9NO2	104.0708	103.0633	Dimethylglycine	8.51
DMGV	C8H15N3O3	202.1174	201.111342	DMGV	7.68
ectoine	C6H10N2O2	143.0812	142.0742	Ectoine	8.89
GABA	C4H9NO2	104.0708	103.0633	gamma-Aminobutyric acid	7.51
glutamate	C5H9NO4	148.06	147.0532	Glutamic acid	7.55
glutamine	C5H10N2O3	147.076	146.0691	Glutamine	7.98
glutathione reduced	C10H17N3O6S	308.0905	307.0838	Glutathione	7.79
glycine	C2H5NO2	76.0393	75.032	Glycine	7.88
glycocholate	C26H43NO6	466.3158	465.309	Glycocholic acid	5.24
guanidinoacetate	C3H7N3O2	118.0614	117.0538	Guanidoacetic acid	7.82
guanosine	C10H13N5O5	284.0985	283.0917	Guanosine	5.25
hippurate	C9H9NO3	180.0646	179.0582	Hippuric acid	2.57
histamine	C5H9N3	112.0872	111.0796	Histamine	9.21
histidine	C6H9N3O2	156.0762	155.0695	Histidine	9.22
homoarginine	C7H16N4O2	189.1335	188.1273	Homoarginine	9.18
homocitrulline	C7H15N3O3	190.1175	189.1113	Homocitrulline	8.3
hydroxyproline	C5H9NO3	132.0656	131.0582	Hydroxyproline	7.85
hypotaurine	C2H7NO2S	110.0273	109.0198	Hypotaurine	7.95
imidazole propionate	C6H8N2O2	141.0656	140.058578	Imidazolepropionic acid	7.43
imidazoleacetate	C5H6N2O2	127.0504	126.0429	Imidazoleacetic acid	8.05
inosine	C10H12N4O5	269.0877	268.0808	Inosine	4.81
isoleucine	C6H13NO2	132.1019	131.0946	Isoleucine	7.09
kynurenate	C10H7NO3	190.0488	189.0426	Kynurenic acid	5.2
L-alpha-glutamyl-L-Lysine	C11H21N3O5	276.1548	275.148122	Glu-Lys	9.73
leucine	C6H13NO2	132.1019	131.0946	Leucine	6.96
leu-gly	C8H16N2O3	189.1223	188.116093	Leu-Gly	7.43
linoleoyl ethanolamide	C20H37NO2	324.289	323.2824	Linoleoyl-EA	2
lysine	C6H14N2O2	147.1124	146.1055	Lysine	9.33
methionine	C5H11NO2S	150.0579	149.0511	Methionine	7.02
methionine sulfoxide	C5H11NO3S	166.0527	165.046	Methionine sulfoxide	8.6
methyl N-methylanthranilate	C9H11NO2	166.0856	165.078979	Methyl N-methylanthranilate	2
methylguanidine	C2H7N3	74.0713	73.064	Methylguanidine	6.81
methylimidazoleacetate	C6H8N2O2	141.0657	140.0586	Methylimidazoleacetic acid	8.85
methylthioadenosine	C11H15N5O3S	298.0963	297.0896	5'-Methylthioadenosine	4.25
N1-acetylspermidine	C9H21N3O	188.1747	187.1685	N1-Acetylspermidine	9.83
N1-methyl-2-pyridone-5-carboxamide	C7H8N2O2	153.0654	152.0586	N1-Methyl-2-pyridone-5-carboxamide	4.31
N2,N2-dimethylguanosine	C12H17N5O5	312.1297	311.12297	N2,N2-Dimethylguanosine	5.31
N4-acetylcytidine	C11H15N3O6	286.1028	285.0961	N4-Acetylcytidine	4.29
N6,N6,N6-trimethyllysine	C9H20N2O2	189.1587	188.1525	N-6-Trimethyllysine	11.21
N6,N6-dimethyllysine	C8H18N2O2	175.1432	174.136828	N(6),N(6)-Dimethyl-lysine	10.23
N6-acetyllysine	C8H16N2O3	189.1223	188.1161	N6-Acetyllysine	8.35
N6-methyllysine	C7H16N2O2	161.1279	160.1212	N(6)-Methyllysine	9.56
N-acetylglutamine	C7H12N2O4	189.0859	188.0797	N-Acetylglutamine	6.92
N-acetylhistamine	C7H11N3O	154.097	153.0902	N-Acetylhistamine	7.75
N-acetylhistidine	C8H11N3O3	198.0838	197.08	N-Acetylhistidine	8.35
N-acetylleucine	C8H15NO3	174.1117	173.1052	N-Acetylleucine	2.87
N-acetylmethionine	C7H13NO3S	192.0678	191.0616	N-Acetylmethionine	3.44
N-acetylornithine	C7H14N2O3	175.1069	174.1004	N-Acetylornithine	8.37
N-acetylputrescine	C6H14N2O	131.1179	130.1106	N-Acetylputrescine	7.93
N-acetylserotonin	C12H14N2O2	219.1119	218.1055	N-Acetylserotonin	2.67
N-acetyltryptophan	C13H14N2O3	247.1109	246.1004	N-Acetyl-D-tryptophan	2.65
N-alpha-acetylarginine	C8H16N4O3	217.1286	216.1222	N-Acetylarginine	8.13
N-carbamoyl-beta-alanine	C4H8N2O3	133.0608	132.0535	Ureidopropionic acid	4.09
niacinamide	C6H6N2O	123.0557	122.048	Niacinamide	3.84
N-lauroylglycine	C14H27NO3	258.2061	257.199094	N-Lauroylglycine	2.41
N-methylproline	C6H11NO2	130.0863	129.078979	N-Methyl-proline	8.61
NMMA	C7H16N4O2	189.1336	188.1273	Targinine	9.39
ornithine	C5H12N2O2	133.0972	132.0899	Ornithine	9.22
pantothenate	C9H17NO5	220.117	219.1107	Pantothenic acid	2.99
pantothenol	C9H19NO4	206.1377	205.1314	Pantothenol	3.83
phenylacetylglutamine	C13H16N2O4	265.118	264.111	alpha-N-Phenylacetylglutamine	4.59
phenylacetylglycine	C10H11NO3	194.0801	193.0739	Phenylacetylglycine	2.69
phenylalanine	C9H11NO2	166.0856	165.079	Phenylalanine	6.7
phosphocholine	C5H14NO4P	184.0724	183.066	Choline phosphate	10.8
pipecolate	C6H11NO2	130.0863	129.079	Pipecolic acid	7.97
pro-gly	C7H12N2O3	173.0913	172.084793	Pro-Gly	8.44
proline	C5H9NO2	116.071	115.0633	Proline	8.09
proline-betaine	C7H13NO2	144.1016	143.0946	Proline betaine	9.25
pseudouridine	C9H12N2O6	245.0764	244.0695	Pseudouridine	4.13
pterin	C6H5N5O	164.056	163.0494	Pterin	4.73
putrescine	C4H12N2	89.1074	88.1	Putrescine	9.37
pyridoxamine	C8H12N2O2	169.0964	168.0899	Pyridoxamine	9.07
S-adenosylhomocysteine	C14H20N6O5S	385.1281	384.1216	S-Adenosylhomocysteine	8.09
S-adenosylmethionine	C15H23N6O5S	399.1437	399.1451	S-Adenosylmethionine	10.12
SDMA	C8H18N4O2	203.1493	202.143	Symmetric dimethyl-arginine	9.63
serine	C3H7NO3	106.0501	105.0426	Serine	7.62
serotonin	C10H12N2O	177.1014	176.095	Serotonin	6.28
S-methyl-L-cysteine-S-oxide	C4H9NO3S	152.0382	151.030316	S-Methylcysteine S-oxide	8.67
taurine	C2H7NO3S	126.0222	125.0147	Taurine	6.03
thiamine	C12H17N4OS	265.1115	265.1123	Thiamine	9.77
threonine	C4H9NO3	120.0659	119.0582	Threonine	7.54
trigonelline	C7H7NO2	138.0548	137.0477	Trigonelline	8.87
trimethylamine-N-oxide	C3H9NO	76.0757	75.0684	Trimethylamine N-oxide	8.1
trimethylbenzene	C9H12	121.1016	120.0939	Trimethylbenzene	1.77
tryptamine	C10H12N2	161.1067	160.1	Tryptamine	6.13
tryptophan	C11H12N2O2	205.0961	204.0899	Tryptophan	6.48
tyramine	C8H11NO	138.0912	137.0841	Tyramine	6.25
tyrosine	C9H11NO3	182.0802	181.0739	Tyrosine	6.78
urate	C5H4N4O3	169.0349	168.0283	Uric acid	4.15
urocanate	C6H6N2O2	139.05	138.0429	Urocanic acid	4.63
valine	C5H11NO2	118.0866	117.079	Valine	7.4
xanthine	C5H4N4O2	153.0403	152.0334	Xanthine	3.72
xanthosine	C10H12N4O6	285.0826	284.0757	Xanthosine	4.31
C14:0 LPC	C22H46NO7P	468.3079	467.3012	LPC(14:0)	7.87
C16:1 LPC	C24H48NO7P	494.3238	493.3168	LPC(16:1)	7.79
C16:0 LPC	C24H50NO7P	496.3394	495.3325	LPC(0:0/16:0)	7.73
C18:3 LPC	C26H48NO7P	518.3216	517.3168	LPC(18:3)	7.75
C18:2 LPC	C26H50NO7P	520.3398	519.3325	LPC(0:0/18:2)	7.71
C18:1 LPC	C26H52NO7P	522.3557	521.3481	LPC(18:1)	7.67
C18:0 LPC	C26H54NO7P	524.3711	523.3638	LPC(18:0)	7.62
C20:5 LPC	C28H48NO7P	542.3217	541.3168	LPC(20:5)	7.71
C20:4 LPC A	C28H50NO7P	544.34	543.3325	LPC(20:4)_hp_a	7.65
C20:4 LPC B	C28H50NO7P	544.3402	543.3325	LPC(20:4)_hp_b	7.52
C20:3 LPC	C28H52NO7P	546.3529	545.3481	LPC(20:3)	7.64
C20:1 LPC	C28H56NO7P	550.3872	549.3794	LPC(20:1)	7.54
C22:6 LPC	C30H50NO7P	568.3385	567.3325	LPC(22:6)	7.49
C22:5 LPC	C30H52NO7P	570.3544	569.3481	LPC(22:5)	7.49
C22:4 LPC	C30H54NO7P	572.3693	571.3638	LPC(22:4)	7.44
C24:0 LPC	C32H66NO7P	608.4644	607.4577	LPC(24:0)	7.33
C16:1 LPC plasmalogen	C24H50NO6P	480.3443	479.3376	LPC(P-16:0)/LPC(O-16:1)	7.58
C18:1 LPC plasmalogen A	C26H54NO6P	508.376	507.3689	LPC(P-18:0)/LPC(O-18:1)_hp_a	7.77
C18:1 LPC plasmalogen B	C26H54NO6P	508.376	507.3689	LPC(P-18:0)/LPC(O-18:1)_hp_b	7.45
C16:0 LPE	C21H44NO7P	454.2923	453.2855	LPE(16:0)	6.26
C18:3 LPE	C23H42NO7P	476.2743	475.2699	LPE(18:3)	6.26
C18:2 LPE	C23H44NO7P	478.2928	477.2855	LPE(18:2)	6.24
C18:1 LPE	C23H46NO7P	480.3082	479.3012	LPE(18:1)	6.2
C18:0 LPE A	C23H48NO7P	482.3239	481.3168	LPE(18:0)_hp_a	6.18
C18:0 LPE B	C23H48NO7P	482.3238	481.3168	LPE(18:0)_hp_b	7.79
C20:4 LPE	C25H44NO7P	502.2927	501.2855	LPE(20:4)	6.11
C20:0 LPE	C25H52NO7P	510.3553	509.3481	LPE(20:0)	7.67
C22:6 LPE	C27H44NO7P	526.2932	525.2855	LPE(22:6)	6.09
C30:0 PC	C38H76NO8P	706.5345	705.5309	PC(30:0)	6.7
C32:2 PC	C40H76NO8P	730.5349	729.5309	PC(32:2)	6.68
C34:4 PC	C42H76NO8P	754.5331	753.5309	PC(34:4)	6.59
C34:3 PC	C42H78NO8P	756.5467	755.5465	PC(34:3)	6.69
C36:2 PC	C44H84NO8P	786.595	785.5935	PC(36:2)	6.58
C34:3 PC plasmalogen	C42H80NO7P	742.5712	741.5672	PC(P-34:2)/PC(O-34:3)	6.58
C36:5 PC plasmalogen	C44H80NO7P	766.5691	765.5672	PC(P-36:4)/PC(O-36:5)	6.48
C36:3 PE plasmalogen	C41H78NO7P	728.5546	727.5516	PE(P-36:2)/PE(O-36:3)	5.41
C38:7 PC plasmalogen	C46H80NO7P	790.5697	789.5672	PC(P-38:6)/PC(O-38:7)	6.44
C38:6 PC plasmalogen	C46H82NO7P	792.5852	791.5829	PC(P-38:5)/PC(O-38:6)	6.43
C34:2 PE	C39H74NO8P	716.5189	715.5152	PE(34:2)	5.48
C34:0 PE	C39H78NO8P	720.5503	719.5465	PE(34:0)	6.69
C36:4 PE	C41H74NO8P	740.5191	739.5152	PE(36:4)	5.42
C36:2 PE	C41H78NO8P	744.5503	743.5465	PE(36:2)	5.45
C38:6 PE	C43H74NO8P	764.5169	763.5152	PE(38:6)	5.4
C38:4 PE	C43H78NO8P	768.5478	767.5465	PE(38:4)	5.38
C40:6 PE	C45H78NO8P	792.5478	791.5465	PE(40:6)	5.36
C34:3 PE plasmalogen	C39H74NO7P	700.5235	699.5203	PE(P-34:2)/PE(O-34:3)	5.44
C34:2 PE plasmalogen	C39H76NO7P	702.5391	701.5359	PE(P-34:1)/PE(O-34:2)	5.43
C36:5 PE plasmalogen	C41H74NO7P	724.5239	723.5203	PE(P-36:4)/PE(O-36:5)	5.36
C38:7 PE plasmalogen	C43H74NO7P	748.5219	747.5203	PE(P-38:6)/PE(O-38:7)	5.34
C38:6 PE plasmalogen	C43H76NO7P	750.5374	749.5359	PE(P-38:5)/PE(O-38:6)	5.33
C38:5 PE plasmalogen	C43H78NO7P	752.5524	751.5516	PE(P-38:4)/PE(O-38:5)	5.33
C40:7 PE plasmalogen	C45H78NO7P	776.5532	775.5516	PE(P-40:6)/PE(O-40:7)	5.3
C36:2 PS plasmalogen	C42H80NO9P	774.5594	773.5571	PS(P-36:1)/PS(O-36:2)	6.7
C14:0 SM	C37H75N2O6P	675.5392	674.5363	SM(d18:1/14:0)	7.24
C16:1 SM	C39H77N2O6P	701.5553	700.5519	SM(d18:1/16:1)	7.21
C16:0 SM	C39H79N2O6P	703.5705	702.5676	SM(d18:1/16:0)	7.2
C18:1 SM	C41H81N2O6P	729.5871	728.5832	SM(d18:1/18:1)	7.13
C18:0 SM	C41H83N2O6P	731.6027	730.5989	SM(d18:1/18:0)	7.12
C20:0 SM	C43H87N2O6P	759.6316	758.6302	SM(d18:1/20:0)	7.06
C22:0 SM	C45H91N2O6P	787.6609	786.6615	SM(d18:1/22:0)	7
sphingosine	C18H37NO2	300.2891	299.2824	Sphingosine	5.78
phytosphingosine	C18H39NO3	318.2996	317.293	Phytosphingosine	5.89
sphinganine	C18H39NO2	302.3046	301.2981	Sphinganine	5.8
C16:0 Ceramide (d18:1)	C34H67NO3	538.5198	537.5121	Cer(d18:1/16:0)	1.87
C24:1 ceramide (d18:1)	C42H83NO3	648.6265	649.6373	Cer(d18:0/24:1)	1.81
METABOLITES_END
#END