#METABOLOMICS WORKBENCH efahy_20230425_000085 DATATRACK_ID:3982 STUDY_ID:ST002667 ANALYSIS_ID:AN004339 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 Ovaries
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=0217m_MoTrPAC_PASS1B_HP-PREFA01.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB01	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0217n_MoTrPAC_PASS1B_HP-PREFB01.raw
SUBJECT_SAMPLE_FACTORS           	1628FB23-6F66-47D4-8D82-63C87726F0FD	90245016403	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0218_MoTrPAC_PASS1B_HP-90245016403-OVA.raw
SUBJECT_SAMPLE_FACTORS           	69FD4884-786D-4F2A-97B1-6174FBD25D60	90248016403	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0219_MoTrPAC_PASS1B_HP-90248016403-OVA.raw
SUBJECT_SAMPLE_FACTORS           	0D5071F5-D166-4CF1-BE8B-EB4DF6E04C0E	90251016403	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0220_MoTrPAC_PASS1B_HP-90251016403-OVA.raw
SUBJECT_SAMPLE_FACTORS           	07AF7369-F082-4CA7-99D5-D973F4A162C9	90252016403	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0221_MoTrPAC_PASS1B_HP-90252016403-OVA.raw
SUBJECT_SAMPLE_FACTORS           	2479BEE5-2A38-4D09-B15B-B1715F561A9F	90254016403	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0222_MoTrPAC_PASS1B_HP-90254016403-OVA.raw
SUBJECT_SAMPLE_FACTORS           	0A4A7935-3AF4-463F-84E3-DCF07671509D	90258016403	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0223_MoTrPAC_PASS1B_HP-90258016403-OVA.raw
SUBJECT_SAMPLE_FACTORS           	04C84D7E-FC8C-422F-AE4B-CAFADB63407B	90259016403	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0224_MoTrPAC_PASS1B_HP-90259016403-OVA.raw
SUBJECT_SAMPLE_FACTORS           	F9BEE1FA-E2DB-4BE4-A79C-99D585D6FD17	90265016403	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0225_MoTrPAC_PASS1B_HP-90265016403-OVA.raw
SUBJECT_SAMPLE_FACTORS           	A77AC89A-1D9E-4516-9DA4-2BE99C8126EF	90266016403	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0226_MoTrPAC_PASS1B_HP-90266016403-OVA.raw
SUBJECT_SAMPLE_FACTORS           	2B969165-1A52-43AA-8FD9-39AFA62F094F	90267016403	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0227_MoTrPAC_PASS1B_HP-90267016403-OVA.raw
SUBJECT_SAMPLE_FACTORS           	2E37478F-525F-4E5E-A882-EE75FD0CFB29	90406016403	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0228_MoTrPAC_PASS1B_HP-90406016403-OVA.raw
SUBJECT_SAMPLE_FACTORS           	A9CE3E3D-31A0-4443-8A7F-8FD831D79248	90410016403	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0229_MoTrPAC_PASS1B_HP-90410016403-OVA.raw
SUBJECT_SAMPLE_FACTORS           	3D5BC47C-BB3D-45A2-8DB8-D7ADCD51997C	90412016403	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0230_MoTrPAC_PASS1B_HP-90412016403-OVA.raw
SUBJECT_SAMPLE_FACTORS           	89D6F615-D17C-4EB9-88EB-A602940FF179	90416016403	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0231_MoTrPAC_PASS1B_HP-90416016403-OVA.raw
SUBJECT_SAMPLE_FACTORS           	FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6	90420016403	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0232_MoTrPAC_PASS1B_HP-90420016403-OVA.raw
SUBJECT_SAMPLE_FACTORS           	B73AB139-7210-4498-9CCF-E1DBE6EBA71C	90559016403	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0233_MoTrPAC_PASS1B_HP-90559016403-OVA.raw
SUBJECT_SAMPLE_FACTORS           	EA5C8932-9325-4DA5-96BB-50CD49CEDD10	90560016403	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0234_MoTrPAC_PASS1B_HP-90560016403-OVA.raw
SUBJECT_SAMPLE_FACTORS           	0645F621-878C-4C9B-84A6-58862BAA17D9	90564016403	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0235_MoTrPAC_PASS1B_HP-90564016403-OVA.raw
SUBJECT_SAMPLE_FACTORS           	68083256-8DAA-4185-B446-0CAF600474B5	90567016403	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0236_MoTrPAC_PASS1B_HP-90567016403-OVA.raw
SUBJECT_SAMPLE_FACTORS           	6A013AA1-4D1E-4B75-B691-6BA22D928E51	90571016403	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0237_MoTrPAC_PASS1B_HP-90571016403-OVA.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA02	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0237a_MoTrPAC_PASS1B_HP-PREFA02.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB02	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0237b_MoTrPAC_PASS1B_HP-PREFB02.raw
SUBJECT_SAMPLE_FACTORS           	B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E	90576016403	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0238_MoTrPAC_PASS1B_HP-90576016403-OVA.raw
SUBJECT_SAMPLE_FACTORS           	DC8B35E8-4AA8-4829-8569-F223D069620C	90578016403	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0239_MoTrPAC_PASS1B_HP-90578016403-OVA.raw
SUBJECT_SAMPLE_FACTORS           	8904857C-2073-4BBA-AC7C-1EC239E5BFF7	90581016403	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0240_MoTrPAC_PASS1B_HP-90581016403-OVA.raw
SUBJECT_SAMPLE_FACTORS           	1F9BD644-303F-43E7-94BE-FF6654306F5E	90585016403	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0241_MoTrPAC_PASS1B_HP-90585016403-OVA.raw
SUBJECT_SAMPLE_FACTORS           	0409BED3-F9FE-4C06-9920-74F5E5CA04A3	90587016403	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0242_MoTrPAC_PASS1B_HP-90587016403-OVA.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA03	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0242a_MoTrPAC_PASS1B_HP-PREFA03.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB03	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0242b_MoTrPAC_PASS1B_HP-PREFB03.raw
#COLLECTION
CO:SAMPLE_TYPE                   	Ovaries
#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               	ST002667_AN004339_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	90245016403	90248016403	90251016403	90252016403	90254016403	90258016403	90259016403	90265016403	90266016403	90267016403	90406016403	90410016403	90412016403	90416016403	90420016403	90559016403	90560016403	90564016403	90567016403	90571016403	QC_PREFA02	QC_PREFB02	90576016403	90578016403	90581016403	90585016403	90587016403	QC_PREFA03	QC_PREFB03
phenylalanine-d8	753622	739669	661617	674989	699267	667477	767819	689270	740026	712526	834772	671692	710231	695260	716888	738132	808834	726715	754505	912271	812550	758633	753622	750301	634223	677691	872146	738257	788643	753622	747315
valine-d8	453839	453385	410798	406272	423150	397572	477463	422759	460312	439645	502937	395740	428668	424767	437119	443359	462718	446596	454771	528388	485256	462331	453839	457675	396762	406622	487411	463235	484979	453839	450948
1-methyladenosine	44615	44750	46983	45298	33899	36961	58877	39833	33085	40968	29307	51726	54575	45557	40538	48876	49376	38755	31760	57990	55335	47061	44615	46629	40816	41834	55831	39908	48003	44615	43367
1-methylguanosine	564153	669231	661208	646619	481662	422405	983312	543987	452034	1105200	494225	972609	338692	396946	530359	560543	654403	517268	387816	801062	910255	554389	564153	648092	430754	657574	957605	526580	804743	564153	574740
1-methylhistamine	6355	6311	1240	6951	3942	7634	3248	4247	8298	6715	7933	6543	7554	3295	5292	8202	8084	5898	4362	12875	5988	4076	6355	6417	5385	8028	10286	5553	7727	6355	6149
1-methylnicotinamide	871834	875456	888944	679357	693915	772222	985752	668900	683511	1008241	1012820	937480	900962	552214	672253	894933	1006151	688585	473135	998939	1233398	839724	871834	855917	838597	972040	1104646	937302	1043397	871834	872103
21-deoxycortisol	7309	6803	6156	2848	4090	3765	4645	9348	1717	8835	608	11947	7573	4476	11156	5928	45073	1930	875	9021	8401	10198	7309	4980	2947	3948	16997	6462	6171	7309	8876
2'-deoxyadenosine	9775	9519	9950	5963	4990	7013	16043	7640	15777	11245	6076	5277	15275	11170	10549	12423	13826	6332	8635	14057	9469	5098	9775	10875	4086	8640	9603	8338	13390	9775	9457
2'-deoxycytidine	489219	495335	430483	458213	378897	434465	463084	398499	469652	483536	473205	547746	570853	384306	490155	492864	544329	541168	332735	702212	545347	493165	489219	487538	393024	512941	636946	509685	560566	489219	479525
2'-O-methyladenosine	467635	476942	640947	245702	327924	812063	1088722	379492	703514	349446	174131	498393	819012	693613	179770	334595	445994	98433	494424	416765	234487	507214	467635	469575	525766	243348	712014	158910	89056	467635	509508
3-methylhistidine	179710	184941	126753	164438	132770	126377	185411	110617	143725	151528	139450	170568	197374	115457	138204	173125	174725	162982	118343	256791	180591	251075	179710	183359	226770	152818	519149	142278	191441	179710	177008
4-guanidinobutanoate	3091859	3090887	2319555	3329329	7226202	1847943	2375430	4134258	5163976	4584834	4419394	4935554	4240581	1355586	3174357	2638597	3771756	2385212	1155001	2988112	3992021	2113926	3091859	3026018	1844690	3265460	1834346	3059030	2607563	3091859	2999421
4-pyridoxate	1192	1322	760	1030	523	755	742	918	1483	2835	1409	2420	1146	929	1200	1307	1505	973	725	1995	1087	527	1192	1351	702	1447	1806	792	1276	1192	1256
5-hydroxytryptophol	nan	400	987	nan	298	1140	nan	1118	nan	1779	nan	540	nan	1332	745	295	nan	1294	340	1178	1687	532	1220	526	nan	489	2442	383	5924	1220	nan
5-methylcytidine	129491	138254	105063	138614	97144	123843	116669	103543	112230	150963	132372	171640	141026	93178	126833	135263	144587	125848	84008	185321	139290	110387	129491	121490	97026	140326	172323	125163	141811	129491	126298
5-methylcytosine	140822	140026	109916	124653	138537	123393	129223	122452	153501	126892	152946	181755	126433	99371	126991	138045	166618	144296	114893	151805	149690	172112	140822	141263	163555	152968	224003	131446	110732	140822	139404
7-methylguanine	32561	32101	24905	32372	23309	29977	30119	27004	28877	32808	33051	42662	35751	20055	30955	33924	37839	29835	21388	52675	39993	25756	32561	33715	24846	38699	47652	29875	31226	32561	32131
acetylcholine	75702	74629	9951	109457	62032	38560	28706	39426	44171	41132	106594	457589	50409	14022	116058	39750	71531	28391	33387	63748	111847	57914	75702	77852	48370	51959	85910	89726	60680	75702	75740
acisoga	3368	3566	2561	3736	2178	3033	3862	1837	2211	2628	3256	3799	4310	2401	2591	2819	3538	3317	2516	4544	4413	4206	3368	3524	2880	3838	5969	3917	3637	3368	3385
adenosine	24415915	24195223	26649395	15114727	22408378	32321561	37722898	24212993	27710029	18992590	15705487	26594480	45494609	27365554	15719223	20651643	27222764	16176969	7653510	25363124	17161950	21873168	24415915	24846748	14687765	16418752	32395516	14771117	10413834	24415915	24755608
ADMA	22740097	23493303	20167287	23433991	16084765	16355214	25733773	15707933	20426286	25792060	19775576	22126473	26119161	14239760	16522075	22036984	27926221	17626950	18642546	25609329	23886579	26397275	22740097	22498336	18981877	21786195	45920947	17067498	24309588	22740097	22616408
agmatine	251305	279866	142206	251682	174032	116743	316549	278044	191657	201564	318210	238791	286345	184158	148080	201912	242200	457851	88010	139310	160922	356115	251305	261344	312114	205159	867739	130596	175706	251305	216590
ala-ala	6419	6421	5367	2383	3349	3902	13148	4576	5308	5259	5435	6830	7087	6751	4911	7405	10234	8490	3868	6033	8646	7934	6419	6966	4367	2099	12633	2711	4767	6419	6635
alanine	700500	701731	599276	573682	483979	449183	860723	572616	678634	755584	491344	934564	800549	468981	714357	710461	768931	668924	528244	714601	961161	826415	700500	710583	713729	534324	1271960	601007	612312	700500	695737
allantoin	79607	78430	62517	81326	61311	66227	85836	57855	68041	73914	77112	106178	96003	49122	70446	74674	76867	76581	49492	125317	99313	70107	79607	78136	55787	92457	107781	80046	81830	79607	78912
alpha-glycerophosphocholine	35370856	36343280	32955503	44024445	23153785	25230107	31580634	26768883	29658099	37864960	31900598	35069798	43649515	29193057	34768367	31898864	44994327	26596652	18456460	51108588	43900916	20853619	35370856	35268234	23532924	44555257	40181535	40522075	47612454	35370856	35197745
alpha-hydroxymetoprolol	5714	6851	6576	7416	3387	5062	12176	6557	3504	8871	3828	11309	10063	8759	4010	5974	6678	2444	2123	5977	4288	5718	5714	6617	3630	5380	10012	6545	8165	5714	6602
anserine	21717	24321	11796	14603	21014	18793	14762	15235	19724	23964	15666	19677	19749	9313	51640	16040	36583	37123	18519	17475	18937	12712	21717	22340	22768	26831	24734	29215	20789	21717	22625
arachidoyl ethanolamide	17654	20808	17086	56712	9334	11946	62113	12510	16230	9210	51302	6819	4089	15487	13174	5692	74509	12494	6869	15110	11560	11592	17654	18980	nan	6331	23065	61117	13012	17654	24106
arginine	2673311	2679058	2603017	2928844	2130245	1815909	3741691	2363420	2652166	3247948	2401034	2884959	2860013	2101428	2107945	2649305	3232581	2442795	2292693	2800312	3116381	3014678	2673311	2622931	2012894	2366250	4453569	1854140	3199053	2673311	2652911
asparagine	209793	209272	165055	199165	154394	166024	228695	157788	188164	239977	177549	205074	204393	147311	173137	198438	231195	168203	158146	250942	239646	253937	209793	209005	196551	184910	388799	171591	221182	209793	206514
aspartate	486843	495307	385988	504602	453997	376319	455991	324341	413812	544581	475737	515593	592870	482988	366520	423515	480561	472813	302396	506738	592052	545660	486843	483702	418861	395974	750991	541023	630978	486843	484584
beta-alanine	31433443	33447475	24246782	33388049	22641620	23087116	34032594	26772928	27109395	30837187	23480399	41315860	39076729	23723101	33510892	30943420	34781629	30940643	25054500	39047466	35855871	32575904	31433443	31194301	27363299	31223878	46794047	27631959	33469222	31433443	30260374
beta-guanidinopropionate	53935	57035	50184	44932	60720	51342	194190	64631	57483	47661	40864	56580	108737	63269	44357	67495	127348	44516	28550	58112	56690	37740	53935	53898	31894	37848	56008	47009	77149	53935	55556
betaine	25591166	26052208	19280669	25829545	19677952	19166023	22363575	25008325	24671709	24704903	23175387	30860658	29392681	18369460	25391474	25361734	32401449	22702064	21457342	30093823	32181358	22086372	25591166	25767791	17638150	29029236	32287758	28458787	24499245	25591166	25616993
biliverdin	2463549	2381650	3221556	1664000	1551507	2509475	1849530	2163120	2118881	4565416	1323877	3358086	2814673	2207347	2455028	2937780	3180419	2186427	1865526	4452845	3599848	1032696	2463549	2521441	713994	1837400	1787486	1453614	2883597	2463549	2524399
biopterin	111150	111259	65100	92519	50916	68720	106034	120318	32312	137507	48558	153597	122002	152151	87127	94441	110881	81259	108978	105621	89671	88961	111150	113695	81520	89551	209419	107826	209113	111150	112628
butyrobetaine	1054364	1070870	869384	1020975	854210	927885	1126530	892422	1006646	1250006	1032048	1353802	1354991	734753	904079	1099093	1315425	928939	654309	1468699	1171521	788657	1054364	1062961	640131	1113419	1160980	945922	1296661	1054364	1043559
N-acetylgalactosamine	16390	16812	12382	21175	15118	13914	19389	12223	14225	18338	16036	20394	14363	10288	12594	18408	10206	19248	13568	17919	18455	22691	16390	16249	16356	13446	21452	13220	18557	16390	16714
carnitine	55383098	56395175	56438640	52146389	48627458	45556653	63154227	51189549	67172773	60259988	45169911	64542972	67586289	37295470	59814089	66614425	70109068	57275250	52278007	72100558	62757410	30363758	55383098	55739265	28602246	48352150	48892933	42184576	56419834	55383098	55691080
C2 carnitine	74952941	76219067	67532202	83820143	64140175	66989202	83094539	63931474	71698897	87301126	72755917	84693233	80439611	61125288	70372529	82739584	91951040	57737507	57864244	100186588	77527546	48959928	74952941	75047195	43351798	75154876	79765016	67444008	88779768	74952941	75739905
C3 carnitine	2280171	2280973	2938885	3293206	1469938	1316322	1917207	1975371	2024357	3485398	3034298	3659515	2315508	1258833	1922855	1676139	3383631	1719184	1299628	2165356	2687533	1226001	2280171	2247400	1680205	2834824	2456989	1651319	2170356	2280171	2300549
C3-DC carnitine	3808	3641	4262	3285	3340	3115	3507	2697	4026	4729	3653	3473	3418	2412	4008	4702	5207	3468	3583	6109	4965	2491	3808	3607	1851	3746	4155	2947	4618	3808	3698
C3-DC-CH3 carnitine	20234	21484	20559	20480	8848	9047	28152	11336	30949	28561	10922	24407	33121	7978	18546	30474	47423	20423	9884	52542	38388	7865	20234	18865	7890	10487	27962	11798	23145	20234	19025
C4 carnitine	10872801	10962060	12179287	18656604	6173553	7089712	9056022	8320118	6811972	18675220	19361154	22403459	8806293	6665793	9057247	7116500	18575995	5080372	3483582	7487502	10213918	7748458	10872801	10971650	7601009	18391415	9799110	6519377	8933411	10872801	11040239
C4-OH carnitine	5991	4427	2666	3577	4623	2542	2385	5856	4392	4549	9139	7356	7236	3169	6544	3367	6919	5957	3373	10056	6361	6131	5991	5121	4639	4775	6181	2159	4146	5991	3757
C5 carnitine	831195	828810	816381	680995	465266	470665	1215179	637995	718168	1007049	816241	1034836	730553	471205	550600	584716	961895	450221	292509	713238	1079472	1078756	831195	830802	1380336	794517	2215441	501510	633955	831195	812198
C5:1 carnitine	1194892	1430507	1296238	1286636	836286	894096	1969135	921879	1051097	1524718	1155570	1524908	1308188	814749	757873	919420	1229127	746815	594288	1156864	1441358	1089289	1194892	1041013	1302789	1122849	2210291	1033606	1121391	1194892	1225674
C6 carnitine	657446	657815	760758	541612	453771	515875	841648	876012	589806	727135	455022	569052	798195	577053	764444	915211	728635	617216	424111	583751	892471	881258	657446	657342	600973	499747	737960	387858	845833	657446	654433
C7 carnitine	39234	40557	50355	42951	25351	25337	48128	36414	35387	62243	41716	64315	41165	29509	39642	34140	64864	22482	15148	32672	35421	30413	39234	39184	24817	50935	47038	27426	36373	39234	39192
C8 carnitine	356176	352195	369858	361266	266987	335024	579131	382046	254203	481847	250737	401056	386588	393181	328307	405614	488546	230034	149209	410000	320260	317045	356176	351248	209636	257857	463803	276263	470508	356176	354599
C10 carnitine	226947	233355	229183	223595	176626	233818	297398	242843	160235	282590	154782	260093	270586	232756	233807	323596	395795	155157	141401	304923	176536	118127	226947	228850	100899	177767	203354	185270	293834	226947	228764
C12 carnitine	396961	410461	363145	424182	325820	423994	496649	368626	274684	481426	288234	410039	473976	436388	355604	487750	623266	254638	235804	577844	317712	256923	396961	391912	190391	359462	425438	347124	567384	396961	406802
C12:1 carnitine	76471	78964	65815	83102	64335	84681	88040	69167	63129	93172	60926	87401	80335	67582	72486	109157	125634	52311	48093	122335	63471	38987	76471	73018	32525	63663	78864	66652	89913	76471	82709
C14 carnitine	1344499	1312623	1060119	1280891	1091431	1382798	1523508	969147	815255	1418532	980681	1233501	1755002	1486656	1160149	1531525	1838246	762457	751887	2159397	1221513	1178715	1344499	1364200	729485	1385517	1789916	1291255	2167777	1344499	1312525
C14:1 carnitine	460949	454517	384204	468674	394455	537614	566828	332676	361890	516428	374930	471554	541538	432607	403392	552913	610699	265214	259615	863136	469056	291190	460949	457206	235615	430537	554939	427120	586741	460949	459732
C14:2 carnitine	144040	138799	119704	130928	111984	141638	195683	104962	134280	155051	109094	170883	180694	119060	136152	186868	208905	86931	80391	254004	142334	91317	144040	145616	68041	125747	172849	116879	161166	144040	141657
C16 carnitine	6096248	6092704	5023169	5495185	4704446	6649789	7063320	4270037	3702349	6513675	4875199	5280048	6584482	7042508	4535369	5671829	6235378	3200048	2999655	7391864	4859232	7917632	6096248	6200035	4877950	6625950	12170936	5962665	10794475	6096248	6432096
C16-OH carnitine	307882	296307	264021	282624	167779	178179	316024	210270	133785	268030	146920	327456	629875	381382	381073	396932	441709	157283	196306	376325	311367	249242	307882	315044	100473	282173	332955	383158	562675	307882	314096
C18 carnitine	4980632	5003706	5940884	4961712	3427013	5084716	6222944	4150314	2671355	5666227	4196832	3971044	4654713	7361257	3470998	4070780	4257416	3036229	3087473	4177185	3405000	6194183	4980632	5036307	5181053	5414066	7924007	5386470	8297946	4980632	4931255
C18:1 carnitine	3031216	3101696	2881901	2866585	2592535	3839353	3778904	2146190	2107690	2904624	2966651	2468078	2598820	3265639	2251689	2980609	2758705	1748636	1649067	3642846	2814801	3750758	3031216	3024092	3031364	3195224	4911159	3124090	3994948	3031216	3074317
C18:1-OH carnitine	243582	253178	240364	245369	153931	189250	310271	162748	136425	255339	149734	307287	413029	254117	237429	301513	309854	130023	141129	353779	316583	191341	243582	242651	98706	217062	332827	267063	390042	243582	253026
C18:2 carnitine	1806022	1756017	1419698	1648274	1463855	2020153	2305931	1409776	1437276	1726657	1534258	1906869	1931745	1603280	1742377	2171898	2016058	1105802	1041477	2262025	1520791	2121254	1806022	1836330	1463845	1664661	2792904	1611312	2199552	1806022	1853722
C20 carnitine	465162	478178	627798	470227	378132	562327	667058	489886	243366	804256	413180	547281	415397	635861	341480	409059	414005	336024	351511	380758	261018	365823	465162	446161	234063	467840	530889	362101	735723	465162	480562
C20:4 carnitine	1044382	1042798	1444300	836363	835390	1028210	1582877	965791	1062995	1065478	880798	1091879	962637	1077447	1076543	1332863	1016398	916880	874120	1028723	1122887	862528	1044382	1047816	741577	770629	1140859	775759	1011513	1044382	1064938
C26 carnitine	23679	22586	28665	14142	13551	16488	42555	17623	21916	31436	17028	24418	22078	23508	22999	27275	26552	18942	20314	30381	30677	21002	23679	22615	8371	19225	35044	19800	39629	23679	24323
cadaverine	2782	2580	553	328	311	159	923	342	368	246	216	715	539	186	239	286	342	590	263	313	1860	6784	2782	2725	12229	172	23022	1054	459	2782	3238
C-glycosyltryptophan	82938	78205	60501	87154	57378	72516	71152	59564	79203	85217	89127	95739	99316	53773	70932	81291	90529	71722	43556	125671	115150	57568	82938	85261	53197	100349	95784	102175	82693	82938	86965
choline	13428747	13290573	15153841	11772248	12404346	15181801	13222380	11502984	13264029	14592922	13514076	13672940	14770510	13899839	9258289	11759776	14192237	10579258	11551175	16416485	15796072	11012569	13428747	13368391	9342273	13023216	14939126	10252354	15181107	13428747	13283898
citrulline	368149	359815	295816	309974	230805	254359	293827	230365	242691	373565	309756	386215	352588	269910	274053	305681	323101	264803	182924	392622	390151	629968	368149	356884	449237	382778	1116172	331142	434479	368149	377252
creatine	24282831	24107956	20532472	24162425	21133338	22212054	30173651	19836376	23571856	25282333	22494613	27457508	27744768	20184079	22526308	26563755	27190694	23808488	18544192	27690193	25198325	19904429	24282831	23960631	20482524	23718935	24560442	23090682	25566341	24282831	24328075
creatinine	977632	950076	693424	966742	769296	755382	862524	721201	837129	797707	1068453	1144436	1018379	648584	880604	902563	909021	909028	693632	1228435	1044158	903322	977632	952679	925795	1093818	1013754	976478	942599	977632	981272
cyclohexylamine	457068	463358	180845	115022	179091	622069	149774	95965	269079	227786	79735	945993	908298	598526	171693	199382	80525	122776	1125407	248782	144191	486057	457068	460098	1032030	1005222	973929	199581	416299	457068	460745
cystine	75521	74679	67888	67201	48559	63440	82640	57494	87110	82780	75285	85074	115761	64880	48713	100094	86446	63762	183151	109681	79514	36333	75521	77507	34151	69894	125434	52426	126632	75521	73543
cytidine	1589040	1565564	1475516	1337013	1188946	1607159	1892240	1251636	1426398	1672427	1299053	1743175	1590730	1358038	1130858	1386258	1593414	1318277	1312141	1733179	1583591	1511870	1589040	1539762	1489228	1243104	2455079	1273388	1701528	1589040	1583311
dimethylglycine	18472709	17222443	14534372	15298232	11068159	13315667	19979686	13121060	15410290	16012904	18250932	21269744	21937629	15303288	15521710	15579124	22168116	15023128	13136600	28447043	22068597	17572756	18472709	20135903	14951426	20347605	31889038	21754870	20481911	18472709	18893122
ectoine	22030	23656	10663	25517	10485	8055	11404	16852	26175	27917	14359	20774	13036	6559	17929	12175	20074	21456	33646	23913	36068	32989	22030	23023	19073	50114	26314	34595	31598	22030	23797
GABA	158044404	155405561	13150258	328037693	68477549	115478462	21735494	192736761	126285137	45263570	186101667	197614215	100447294	12367425	134317184	159565136	119223869	250696366	193889160	233465148	230846917	389346206	158044404	155787149	196762583	283977245	144741944	48211672	134192954	158044404	156247622
glutamate	2381147	2434107	2215407	2274459	2137298	2063216	2473425	1951641	2088367	2614918	2282072	2593335	2700688	2158942	1984975	2164243	2471828	2340046	1663781	2639161	2681122	2424556	2381147	2409461	2197197	2257411	3455103	2489628	2653634	2381147	2374419
glutamine	4495468	4516195	3519675	4729441	3393509	3755680	3876170	3042690	3855841	4324781	4121761	4858241	5189833	3070184	3553848	4427195	4666094	4365066	3406012	5682878	4878061	5838973	4495468	4452849	5093837	4304301	9272809	4174963	4263812	4495468	4459043
glutathione reduced	9888866	9943342	9247795	5940156	7864365	7917807	17826388	9352624	11216305	11087265	5825571	11785538	11948888	7267135	8686770	11564899	12909082	9748196	3975920	12244464	11165955	8061008	9888866	10088826	8574841	5284572	16159880	7804275	7632900	9888866	9564826
glycine	199074	197968	90746	215067	126922	140277	140836	174568	121568	146029	184091	252305	202585	117890	180060	187204	217668	216923	189553	268700	220794	298678	199074	200400	217558	202278	478382	140782	184430	199074	196488
guanidinoacetate	42784	45310	34451	22989	57288	23993	52125	32751	52966	43826	29826	49741	51405	34255	33499	38085	41882	39585	21648	48572	49757	52271	42784	43360	43338	21446	93980	27978	29221	42784	40279
guanosine	1111524	1096221	1731556	690028	816877	2776062	2036249	1081173	1797850	657936	560659	918513	1921857	2070362	422253	782880	889073	274094	523444	1023973	687304	717675	1111524	1113878	789902	494293	1366506	461301	320549	1111524	1136782
hippurate	23122	24010	20859	23354	16095	19324	26008	24854	25980	31740	23069	43524	22203	9107	20168	23643	30368	10901	11869	17019	25537	7385	23122	21932	7525	13863	10436	14237	13981	23122	22912
histamine	4847285	4846232	704540	5242839	3117537	5996355	1802058	3677167	5878014	4748377	6242263	5336320	4998496	2641282	4564730	5796046	5824100	4088882	4055743	8717877	4090797	3519507	4847285	4793397	4145983	6169643	6679962	4409585	5561007	4847285	4797731
histidine	571540	576730	533216	606401	416333	444212	667077	457750	543594	725826	544072	627640	649599	417447	422113	571245	646431	503487	429064	683176	593802	730277	571540	554576	512877	545117	1534167	376025	885401	571540	553518
homoarginine	12290	12062	17311	12500	5351	3479	17876	4797	7725	11131	12127	14043	13183	6361	6266	8270	7421	11985	7754	12907	27484	22094	12290	11451	15184	13530	42824	11829	18093	12290	11668
hydroxyproline	234425	238298	192919	168574	129126	143934	258550	156732	219249	227239	159170	208600	264946	138790	171782	195675	238476	219226	108522	274872	319414	385564	234425	236361	334887	156366	697185	211294	186381	234425	222291
hypotaurine	115127	119066	100583	111130	85517	105163	178759	96048	121208	140236	72254	130430	134896	105694	110619	117536	130206	92283	58091	170699	103472	73175	115127	115658	101533	133013	113673	111327	149613	115127	117291
imidazole propionate	32436	32142	18869	22757	29634	53040	23961	28480	29146	36507	25936	39679	110562	16735	29295	18737	28035	20791	10682	56183	28090	33254	32436	32439	24967	33491	38836	43058	22657	32436	32842
imidazoleacetate	21168	19407	6801	12444	8620	28733	9586	13014	17162	12008	12905	14584	16833	14728	28392	15590	18181	22027	119126	23989	17508	7931	21168	20740	12744	22199	25688	17116	28593	21168	19767
inosine	7213698	7098608	8701517	6112791	5477463	11540904	8274629	5695475	8611535	4064806	3635631	6981351	10510791	8757734	3881929	8398174	9566903	3136102	7933458	8018196	4632879	4229884	7213698	7314752	5277129	4329141	6207687	3971175	1606397	7213698	7037283
isoleucine	213693034	215320157	181051224	195583408	173761940	195194170	240203541	168092221	173528283	243646906	198205360	246531599	243056945	156798743	155122526	210886790	258199352	153784243	123649016	312463467	227306213	226583158	213693034	217044155	172664761	198972965	436765675	170656861	268331294	213693034	215533563
kynurenate	10283	11671	1886	2517	2277	9645	1479	1812	1677	3499	3249	4725	2511	961	8171	11207	11667	6809	18360	33135	10739	33649	10283	10862	24461	11797	45347	13248	13326	10283	11508
L-alpha-glutamyl-L-Lysine	533273	577444	478900	538984	395834	442781	535720	358395	393765	636304	528041	504575	615270	521504	351631	422769	518191	446024	412283	615724	599413	572601	533273	510900	400396	572120	838540	592827	798670	533273	549763
leucine	328836493	328908212	284593824	309463286	257258908	285948958	389139449	254964189	269809023	374277473	300443703	395215545	350037860	242710887	247069574	324226894	387886442	247576273	218596756	440646269	346234908	329154261	328836493	319774567	261333751	310590194	622120576	257263597	379865578	328836493	335859579
leu-gly	4284	4670	4749	4154	2779	3707	7426	3411	2965	5402	3434	5729	5948	4839	3477	3814	7291	4667	2737	4359	4872	3195	4284	4067	2141	3261	6040	2737	5064	4284	4632
linoleoyl ethanolamide	156999	162322	160383	371585	101060	118173	371802	147879	138361	94853	365282	92488	52782	127012	139510	89903	510521	109852	111234	133555	121050	117839	156999	156268	39818	81125	132996	226525	135577	156999	164755
lysine	1637954	1613017	1094329	1608267	1030575	1395860	1355053	1016743	1454955	1701729	1688907	1910860	1959147	1007633	1166304	1585862	1787067	1521904	1131582	2556854	1840842	1920844	1637954	1602001	1799668	2000114	3528608	1390494	2082645	1637954	1605977
methionine	344692	345205	285502	325527	244674	279988	394091	267232	317512	405529	268728	391199	385492	250112	271241	336227	415951	215453	256285	446425	363901	385594	344692	346876	287954	331365	706191	260814	401677	344692	348572
methionine sulfoxide	6356	5385	3659	4425	2671	2800	6495	3920	7561	12194	2939	6437	10203	3580	5010	8594	13647	4504	3012	10263	9119	5529	6356	6625	3961	5445	16032	3229	12333	6356	6200
methyl N-methylanthranilate	8923	9907	11825	4529	7352	12600	2843	11778	7564	15671	5881	11268	7605	15525	10483	7978	9268	12047	9102	12180	15284	7555	8923	10810	nan	8751	7614	8453	15153	8923	8928
methylguanidine	3097	3173	4950	1957	1653	1402	4565	2708	2622	3920	3632	3052	3276	1765	3142	2078	4689	3541	2117	2519	3664	1938	3097	3093	2145	3189	2462	3032	2903	3097	3119
methylimidazoleacetate	4523	5239	1400	4460	1099	2045	3235	1312	1721	1672	4587	7118	7183	1277	916	747	1739	2152	481	9964	5726	7888	4523	4841	8724	6640	17392	5315	11505	4523	3947
methylthioadenosine	2369086	2403407	2099694	1922454	1874951	1765579	2202576	1660741	1712971	2049891	2123424	2716764	1759729	1584696	1561416	1706917	1557670	1486583	1270531	3017561	2599602	2944028	2369086	2457299	2350015	1730849	2499499	1691655	1981432	2369086	2466573
N1-acetylspermidine	926122	937405	915634	951811	824649	800160	1031708	785725	998436	1014300	801944	1046118	1035275	631995	860377	1022885	1055792	672957	557638	1098777	1041545	993884	926122	918711	788705	839173	1522408	614742	984138	926122	927901
N1-methyl-2-pyridone-5-carboxamide	51998	53407	50949	44547	47409	54221	55505	48157	49525	51671	66597	71041	47913	36185	39176	50082	57084	40088	22746	65836	58097	44060	51998	49938	42804	53258	56163	55339	50884	51998	53139
N2,N2-dimethylguanosine	482550	474918	432722	576358	371749	415445	553481	332165	411431	586561	419135	640548	539663	256840	413568	488270	595752	404465	281843	681770	581327	490031	482550	490074	442608	617664	819173	466288	506863	482550	480245
N4-acetylcytidine	99576	99307	86998	121426	92911	92388	117485	77996	81087	87803	81121	128987	77468	63475	91636	117629	106008	89745	73832	149706	122945	88247	99576	100537	72846	108473	132188	85773	100042	99576	100739
N6,N6,N6-trimethyllysine	247218	246554	183987	288067	156248	202415	267931	186666	189620	279286	249441	245763	293880	190239	184681	257644	363879	177559	165840	292446	263865	223669	247218	247830	181815	269578	404255	193181	400972	247218	248788
N6,N6-dimethyllysine	9619	9699	9370	10206	6509	6295	10841	6309	9012	10186	7088	7886	12092	6213	7582	10703	12549	7139	7824	12958	10668	12352	9619	9888	8145	12094	15106	8830	12938	9619	9765
N6-acetyllysine	31604	32045	30834	28389	22332	24506	45586	21591	30258	34935	27302	33103	36302	23347	23860	30267	33119	26539	19258	39551	39720	29751	31604	30359	22403	32978	48394	26779	37758	31604	32910
N6-methyllysine	5377	5629	3677	5797	3836	4226	5115	4084	5894	5650	5593	6399	6597	3157	4435	5347	5694	4657	4057	7714	5816	5352	5377	5083	3724	6326	8758	4553	6765	5377	5402
N-acetylaspartate	32697	32228	17518	24466	15622	23922	51371	18653	21457	26499	25531	26304	29294	18763	25888	28809	31230	20027	18453	33015	28764	48399	32697	33225	56511	28105	134863	22075	22461	32697	33019
N-acetylglutamine	558749	570310	576404	499744	448550	367656	533388	375251	352125	543396	399129	590939	556120	381503	400772	468358	631471	592592	361734	653365	572267	895463	558749	636424	677702	433981	1839178	445795	731732	558749	607784
N-acetylhistamine	4672	4433	3542	3612	3061	4996	4059	3279	4142	4763	4199	4974	6381	3342	3856	5509	5190	3572	4905	7516	4640	2814	4672	4409	nan	5089	5958	4663	4895	4672	5046
N-acetylhistidine	15922	14909	12658	10428	8897	9453	6734	10681	6490	14352	13782	13793	12165	12177	10087	12357	11720	13856	8125	16070	16565	33162	15922	15481	21318	15214	54136	15886	15682	15922	16761
N-acetylleucine	229908	229216	213412	120791	116962	543368	152461	95213	108889	196979	118900	296125	277954	147090	207237	201205	126843	170149	306918	284003	184385	373134	229908	223141	184492	254602	337977	334423	215280	229908	229006
N-acetylmethionine	355014	358888	522298	211262	198757	292277	713618	211464	276652	363981	224888	342544	185975	264607	157084	245253	416176	230497	1197737	405328	289691	398893	355014	313700	26000	153117	630844	196665	310681	355014	345976
N-acetylornithine	87687	88203	52965	71697	73392	58226	87405	67388	75989	88257	59777	96133	97353	64329	68144	94350	103183	67077	49026	107988	76252	122662	87687	86797	100003	87884	206874	60792	82108	87687	86964
N-acetylputrescine	76040	73531	20350	40522	25334	19674	77848	35888	42092	28229	28128	54426	32522	17662	34338	37134	40286	36467	24265	45392	44876	234262	76040	77165	260454	25055	579691	44797	30408	76040	76219
N-acetyltryptophan	1775	1466	1836	1366	1173	2046	2244	568	1498	1572	1000	1239	1836	718	1446	1511	2404	1347	1689	3363	2233	3149	1775	2159	2552	2269	4656	1511	2860	1775	2023
N-alpha-acetylarginine	51763	49134	42209	42523	33939	27563	98094	35785	68925	56355	36033	59980	64714	30711	36648	60231	55960	45421	30901	65380	55789	46439	51763	50792	40223	38359	95687	28476	38344	51763	51720
N-carbamoyl-beta-alanine	7482	7397	5263	5837	4271	9681	5211	3333	5132	7376	11809	7518	10576	4747	5886	5910	7387	6399	4141	13138	8474	6315	7482	7492	6126	10552	10838	9966	10069	7482	7960
niacinamide	7371497	7553654	13333735	5192403	5957102	13217745	14353970	7458380	7913417	5046319	4771169	7309179	11471859	13409392	3379105	7289251	11070152	4005738	11217415	7604824	5205998	5217224	7371497	7379765	4056439	4110229	7797781	3956132	3796726	7371497	7293102
N-lauroylglycine	20383	20066	10684	58032	8717	11605	47451	9300	30082	7378	46384	7764	5420	19309	10062	6447	50290	5644	9849	11861	5174	8547	20383	19358	6271	4327	32228	100727	8641	20383	20648
N-methylproline	21515	21956	9737	11909	8494	9132	12288	9470	13246	16046	10136	15329	15433	9820	10554	16086	17178	24172	15118	58422	49051	30706	21515	22226	21965	34352	69592	17779	52790	21515	20639
NMMA	83607	80604	55319	85740	55216	66041	74935	52049	80908	98165	79799	106736	98127	43561	56329	77498	96421	70847	71913	106437	90691	103998	83607	82650	91582	96360	184385	64848	78673	83607	80296
ornithine	52530	53531	31324	66473	34533	40391	42102	39843	54826	65320	67786	64748	65272	29925	47550	54843	64481	53483	49320	77439	66746	48124	52530	51027	29435	68419	75678	38806	87920	52530	51028
pantothenate	1724628	1703098	1587056	1895144	1524758	1933155	2149506	1496149	1707851	1777406	1374058	2238472	1896758	1140055	1393259	1712243	1791522	1146071	1318925	1908601	1635721	1247509	1724628	1682535	1409502	1575687	1485618	1413858	2057119	1724628	1773181
pantothenol	1457698	1397288	2556351	1338917	2397997	1763567	2739000	2460919	1807571	917909	1787802	1233366	664848	1242015	1400572	936499	1529564	1208954	2157685	1361401	1216712	1229312	1457698	1434514	445716	812079	1133285	1461964	1527155	1457698	1430697
phenylacetylglycine	3568012	3608885	2657101	2060438	3558650	3633227	3056051	2239374	2523577	2463352	2217583	5091375	3041959	3515329	4636760	2850721	3010955	3332769	1563900	7468044	3656985	4426398	3568012	3524098	3275330	4345076	7517357	3992015	4130272	3568012	3504887
phenylalanine	164126064	163373744	144802194	153805715	120082241	132301903	194869582	132424354	131850593	194970479	137753463	196869590	176737098	120972818	133494294	165426209	202841368	117652853	126406390	206999073	168388936	172100587	164126064	164688465	141359694	151570143	347042511	120097950	170253866	164126064	163513178
phosphocholine	1027903139	1014159315	650861460	1102060924	743513957	673948865	908392381	845687212	788972897	1081718697	942954573	1628386574	1460580905	670963244	1012696964	1189238236	1285036861	864108772	634155961	1252100913	1179386315	802567245	1027903139	1035651098	816484174	1204666956	1359526087	990076720	1114994513	1027903139	1023055276
pipecolate	52350	53369	42955	52059	35953	37931	59770	35383	44206	54892	42931	46713	63701	31407	47108	59397	53305	53880	33275	83914	55262	62286	52350	52297	57377	44561	97904	50337	61143	52350	51290
progesterone	288652	256985	76916	24261	16719	34757	163935	80072	30322	34063	9016	133978	99199	142398	103530	271687	106646	106178	588174	86296	55376	1355108	288652	283773	1056196	48571	2881824	11152	34717	288652	253246
pro-gly	1035	1115	851	1120	812	688	1479	1234	920	993	765	1204	1033	878	625	787	1125	591	689	489	1023	767	1035	867	773	652	2511	1237	915	1035	1025
proline	3331854	3321479	3038211	2985297	2289220	2394404	3887842	2526756	3262354	4526989	2616024	3634601	3337565	2240637	3005348	3385078	3877278	2214847	2219164	3837670	3485934	3430888	3331854	3262534	2915584	3129932	6168255	2712726	3766047	3331854	3306767
proline-betaine	937231	970557	532663	962918	588265	576390	931227	835991	1047498	930970	862422	1391861	1086015	514341	853896	703947	1313933	761252	802700	1314613	1280701	848056	937231	921880	532966	1340124	1362835	1001449	830894	937231	917997
pterin	8101	8926	4358	8768	5532	5775	8157	6302	5195	11131	3913	13149	8468	5056	6398	7788	8197	6638	6839	10155	7013	4557	8101	8205	3135	4728	7900	4320	3525	8101	7947
putrescine	212916	211977	125139	144951	141415	96408	231415	138120	143472	122192	120885	175183	146693	94150	136166	144536	148687	148288	117972	154273	201155	415577	212916	208838	445672	116429	719529	159219	134833	212916	211463
S-adenosylhomocysteine	634831	638926	775061	491671	396619	578378	914223	435096	559647	514139	389721	573836	747162	589197	400112	524387	661802	468022	564338	622471	609942	899228	634831	679052	763139	383435	1385181	396248	542899	634831	638646
S-adenosylmethionine	249070	251816	183189	216458	198162	190763	288209	188826	219000	285419	190899	303538	284706	197574	202938	253534	274222	241455	150319	299163	299116	306488	249070	252349	257326	201521	521260	218850	304416	249070	251117
SDMA	7538941	7399097	5479708	8831256	5183774	6284094	7351909	4931550	6474362	7392382	7877740	8884257	10064004	4226091	5575456	7705058	9376179	6811575	4813033	11629375	8249660	8589278	7538941	7399638	6062595	8167504	13721647	6471304	9369579	7538941	7638188
serine	68899	69162	54576	58379	50508	54986	64072	54324	72316	70713	59319	71357	66570	47595	64438	69747	72907	64536	66550	78657	76333	98912	68899	71140	74570	64505	137252	63614	61320	68899	66765
serotonin	332151	333512	53878	446684	182567	411857	129836	222954	454729	326505	436546	462603	385490	134142	344203	405632	432981	244848	169553	718410	243255	184045	332151	326510	207606	342633	393687	259697	280468	332151	326900
S-methyl-L-cysteine-S-oxide	20022	19337	19246	17459	15335	20316	17282	15538	16422	16229	18200	21414	21154	20029	19187	21803	16739	24355	17565	18519	19235	22251	20022	18950	20994	20459	19984	16578	21214	20022	18596
sulfamethoxazole	1397978	1612791	1895187	32208	1170234	2220481	66446	1437207	483803	1464240	225506	2158201	2803973	1330005	1505078	1199405	304666	1625458	844907	159294	996477	1097400	1397978	1455426	4870252	288507	2232342	1827596	277838	1397978	1237938
taurine	26134919	26296202	23646378	27511375	21669119	24952384	28831415	23992761	24347230	29940553	25288571	33028763	30337246	24437281	26277103	28092713	29909277	23659467	21359170	30274512	26511448	17791692	26134919	25854839	14829758	26766127	22694910	23667853	29133923	26134919	26022172
thiamine	263999	260180	135663	229798	110524	158189	138773	138727	201873	268497	184091	276412	326677	125703	222867	249119	296955	136526	287272	322269	278882	206125	263999	259749	349194	315419	1082069	203189	259171	263999	258758
threonine	113234	115933	111550	94634	94789	102274	109616	102194	115620	118161	100733	106819	109845	87808	98901	105055	107810	84053	87919	114414	122238	165178	113234	114581	134462	105814	217393	113613	109172	113234	112980
trigonelline	305723	310287	215250	424294	214257	210503	324108	295992	371928	432820	332388	412015	302287	226403	310599	276970	395316	222516	242273	253969	309417	295656	305723	307325	202730	355291	347970	264899	269295	305723	310165
trimethylamine-N-oxide	65589	67850	76873	100256	47693	46053	88142	70088	102586	104161	98296	127618	86667	52541	69683	76649	107374	51919	10909	26471	78923	19038	65589	63259	9848	26936	44490	15699	70382	65589	64749
tryptophan	44334912	43852958	32916812	44761671	32972537	39251470	40394757	33836515	40982555	45193493	43830204	50342545	45723125	32335096	39109191	43268683	44586696	35224057	35006272	53262662	42685338	49099991	44334912	43135043	52515804	44906123	91760247	44495160	49318417	44334912	43474177
tyrosine	36556527	36308934	30787208	31901770	28330697	31168786	42953274	29639444	33254017	41781338	34089531	49676141	38910814	28135712	31593149	34792423	43131518	25631825	25179939	46692108	36330750	41238024	36556527	36168384	24964954	33955403	72803878	26239654	41869510	36556527	36105606
urate	38653	40199	34060	34971	26169	35075	41968	34908	43250	67698	48969	85400	34072	19301	35064	34706	56689	61030	25796	54413	43694	28754	38653	38259	23349	28361	56338	26367	26591	38653	39505
urocanate	96846	95583	115078	99248	91936	114648	87947	75070	86086	87647	75815	45523	61545	72669	118566	81614	119603	240847	206527	99930	84261	97261	96846	97063	75036	105603	121099	125905	67311	96846	99413
valine	225014507	224167624	184966552	194691806	169093087	184334971	256712153	159566299	180788862	244364275	189813497	259854761	243670092	157623161	160521980	220076236	248704030	156702795	134317758	305381645	226308170	252875667	225014507	226179463	231882739	212557929	508077295	177950482	260213399	225014507	225642997
warfarin	549365	550860	1493	5114651	25448	13096	3591593	14995	14115	17279	3168514	589	1510	2590	6801	6433	3760300	nan	5669	6347	6803	5142	549365	519421	1596	3629	2224	13310	4002	549365	559578
xanthine	418491	421620	623170	281824	336268	732827	801059	375793	467860	508526	314293	627427	430730	552662	201983	292289	406954	275009	1271413	299876	310102	246069	418491	418916	233715	204641	373091	166221	258555	418491	412096
xanthosine	2025310	2121770	2041438	1588618	2154424	2386910	2230505	1844070	1388619	2719635	1737425	3225607	1469111	1461843	1879392	1494998	2551180	2347772	3152807	1360663	1965757	2630743	2025310	2016457	2081458	1322583	2785031	1025032	1346833	2025310	2028768
C14:0 LPC	114002	116378	88538	75992	93307	112758	127565	113811	133085	172278	95196	166218	129333	85492	105580	124066	150887	91549	48555	119985	115204	97836	114002	119477	93846	64218	167926	104261	100224	114002	114659
C16:1 LPC	222481	215601	150783	174035	195988	226700	171308	226039	234361	314854	216567	323107	234848	155292	219330	233966	291424	170182	121347	254461	214969	178951	222481	225400	189284	176639	278180	178174	197058	222481	220444
C16:0 LPC	18367367	18532354	15570648	16598520	16346772	18736862	18894106	15907689	18599589	22959709	18050442	23771689	22509853	15931089	17522935	19806728	20809600	15059981	12490701	20909777	19300327	15468578	18367367	19152563	12878346	18904445	21342368	16205350	18710082	18367367	18304992
C18:3 LPC	327406	334503	234373	288997	270139	323172	295458	276982	321631	433499	361378	460189	365975	262520	309162	339146	349067	351510	213285	392364	377576	285482	327406	344210	240932	340655	408905	296251	321617	327406	330343
C18:2 LPC A	3008335	3044104	1983683	2399677	2119930	2546615	2475719	3040126	3211673	5948582	2983898	4194117	3378743	2727122	2910380	3194886	3824404	1800271	1321416	2760498	2693417	2835855	3008335	3173761	2053117	3203563	3983004	2616991	4515253	3008335	2908297
C18:2 LPC B	1580331	1585295	1450945	1309860	1277369	1756311	1597407	1772249	1116755	3062783	1130072	1691382	1714801	2158974	1239200	1430542	1631446	863169	847673	985454	1145483	1911738	1580331	1553652	972387	1563180	1882859	1289207	2911269	1580331	1606931
C18:1 LPC	1059775	1056753	870512	893291	976001	1205414	966841	1074610	1262370	1445772	1104997	1271035	1219192	938307	1016042	1117199	1269711	821285	598338	1143916	1015233	842458	1059775	1063923	790278	988145	1244570	921872	1128171	1059775	1014813
C18:0 LPC	9356743	9386039	9429221	8951365	8253005	9693758	9717670	7977585	9519597	10701014	9174047	9121622	10684691	8659674	9006200	10107616	9007657	8281762	6052471	10426204	11421144	8459471	9356743	9380107	7893100	10053085	9560555	9548153	11837517	9356743	9584517
C20:5 LPC	59773	56833	28976	37852	44993	62117	42654	59052	57031	128966	66680	79229	47106	50749	44561	49129	69994	34062	8355	42307	41828	46083	59773	61735	34169	50122	70497	43073	96023	59773	61907
C20:4 LPC	1596430	1617403	1324655	1139515	1055544	1721934	1617319	1067860	1108310	2560699	1651598	1370534	1458920	1699391	1118925	1366337	1476053	977859	617808	1578764	1514146	1757213	1596430	1585341	1440919	1666751	3029593	1828055	3415695	1596430	1622011
C20:3 LPC	692235	703532	619941	603019	523455	766726	800374	527890	441150	1120250	582037	873500	697280	728702	549575	608145	702769	443669	254795	769266	701719	649450	692235	686648	462363	729723	1086454	569697	1277872	692235	683530
C20:1 LPC	50893	50202	49833	33622	46254	62794	64261	54168	70069	61291	40929	51970	72903	44694	39478	65902	57287	41212	32526	68340	60707	51714	50893	51531	35141	41601	56276	35362	56123	50893	50145
C22:6 LPC	2047987	2077982	2039370	1790997	1151670	2666753	2722941	1146708	692431	3283174	1601236	1971360	2262009	2772359	1430403	1774142	2193007	948767	765702	1809328	1717895	2289062	2047987	2061051	1168754	2128205	4408126	1848494	4892477	2047987	2093138
C22:5 LPC	518324	520203	491080	390993	348046	727222	726343	362946	212749	820602	393715	602480	580731	654864	382634	406468	571142	258865	175828	490881	428109	632457	518324	518243	291206	533938	958907	428478	1010979	518324	519958
C22:4 LPC	1638650	1624832	1182211	773601	2272689	801733	1376779	1162244	750407	1643395	523793	1233204	3164968	1102679	1489002	3060235	961713	1039377	2008784	962083	920276	1203139	1638650	1637190	5298837	1798421	1708993	1209854	1803867	1638650	1673235
C24:0 LPC	45683	43187	89711	34771	62178	42756	94687	50967	50918	61333	29670	28184	48443	46939	51010	48539	50459	30360	13022	44141	76240	41224	45683	44064	12702	28944	19239	47055	78626	45683	48616
C16:1 LPC plasmalogen	19470	17989	26136	13914	21411	24922	19484	15091	24862	22407	19845	11199	19458	21944	16390	22539	18260	16369	22025	23087	19922	20657	19470	22561	9419	16321	15842	17707	29868	19470	19161
C18:1 LPC plasmalogen A	98247	106422	128571	78555	53255	103855	124017	57703	80946	126617	95068	85573	98844	106164	66139	85275	106468	64146	71700	115308	112474	82701	98247	95572	89916	96885	108095	102649	203098	98247	97444
C18:1 LPC plasmalogen B	65258	58357	71256	46851	60701	55738	84797	36173	53547	83210	59367	60394	55995	59545	51866	66604	77107	46722	53480	79776	69414	52123	65258	68582	35606	60982	83311	63955	110214	65258	71591
C16:0 LPE	461785	477764	400686	458872	397104	463732	564053	374286	447856	565948	432670	642089	553551	317796	370654	487032	526924	361215	383236	549781	452399	434050	461785	454287	315469	408650	597009	337630	435655	461785	441158
C18:3 LPE	40046	42356	37506	37899	39813	44945	44842	33550	38809	49196	38105	49862	35551	27277	31488	39196	38660	36331	36679	42219	40029	42013	40046	42414	25413	35399	51561	31643	34381	40046	38520
C18:2 LPE	13515	13045	8794	9043	10330	11924	12463	9813	10628	25124	10699	15941	17392	9345	11781	16301	19377	8452	12440	18671	10904	14997	13515	14200	6113	15413	21558	8160	17376	13515	12926
C18:1 LPE	242341	250108	260717	230969	210721	257512	265316	159850	206833	287677	172973	263860	241896	186419	130250	241388	276975	190866	231974	317853	251360	337056	242341	241091	198232	200336	443834	140409	292104	242341	238307
C18:0 LPE A	1158739	1180336	1196186	1054676	1064901	1103734	1702494	839575	1092620	1293373	1046171	1239799	1210340	966383	870105	1165778	1288070	977735	1015640	1290481	1381061	1298585	1158739	1188025	891853	983034	1413503	836188	1106746	1158739	1095185
C18:0 LPE B	142065	136548	107269	109786	99613	112799	139010	120205	146231	182647	126237	247506	183871	101933	140782	156831	156253	99788	70999	164398	174707	126672	142065	141546	93741	145335	198397	130639	134416	142065	136901
C20:4 LPE	555049	577303	739371	433704	516616	505824	824568	391140	424144	581198	561736	590958	499760	494664	351424	403318	562717	403328	497867	555064	537374	838764	555049	571264	507506	377861	914239	364930	603720	555049	555951
C20:0 LPE	280864	270784	259250	229652	234130	278637	291093	228383	269012	331632	277651	338691	319556	257448	272315	282461	286885	197173	164610	308565	350600	234514	280864	262021	191959	296170	310122	261401	324826	280864	267110
C22:6 LPE	26422	45268	69522	37416	49009	29305	57836	16844	4524	37618	64724	38159	7253	16378	nan	10093	13634	9587	13684	23096	30850	46661	26422	20067	31361	4908	66970	15968	37680	26422	25170
C30:0 PC	6200321	6233401	5238550	6464783	4896617	4983867	7989099	4848118	6623559	6489188	5406066	7102141	6991616	4222422	6383258	6417274	7628551	5789534	3297055	7196829	7248296	6106660	6200321	6488583	7208588	4518722	8554907	7638565	5875229	6200321	6829143
C32:2 PC	1979565	1898366	1559785	2182582	1326712	1637953	2142664	1744874	1583944	2209056	1330887	2248245	2137214	1722838	2110547	2229670	2433134	1793992	1593087	2180524	1517935	1977921	1979565	2018815	2061557	1589931	2674361	2392160	2430065	1979565	2107570
C34:4 PC	1021361	1003643	981713	983496	765763	834539	1201260	1046795	777950	1047551	658787	1351351	1092719	1189546	1173993	1072457	1101240	874679	1071222	753373	1014798	865759	1021361	993539	977014	782752	1049658	1129204	1078111	1021361	1074031
C34:3 PC	4468680	4431405	4283825	4607157	4436251	4637153	4313918	4219800	4659507	4336039	4249611	4397606	4597011	4286199	4550516	4452564	4581478	4489667	3908287	4679905	4504999	4804093	4468680	4601272	4956326	4254159	5428985	4926052	4334736	4468680	4719532
C36:2 PC	473610965	482312023	403696718	464872075	444848852	443750600	457356126	426361787	481644326	477659811	438542840	421691785	478822094	425590980	413681579	476655432	505779738	458406946	451322683	558755841	433870381	533570248	473610965	468576644	490525483	467645410	652935856	481811173	554887029	473610965	489600684
C34:3 PC plasmalogen	369734	373546	196948	359428	386924	278655	238817	475392	419471	251689	456960	409729	295761	180668	407274	395980	501019	524159	485011	557390	330849	366257	369734	378129	295078	341574	385950	273165	338193	369734	342315
C36:5 PC plasmalogen	11682279	11516799	10790396	12798354	11811812	11052385	10762476	10699320	10749386	12357715	12393488	11899850	12154369	9355688	12294371	12850521	13297415	11180010	10666254	14565456	11070715	10061166	11682279	11524738	7811219	12153046	11796018	11084777	12892055	11682279	11955563
C36:3 PE plasmalogen	499817	506232	303153	649053	613725	459420	335485	482408	569143	394736	729295	434151	494191	332745	448241	505299	493679	676573	430286	588470	541931	555442	499817	484797	497173	540242	493054	470976	479834	499817	489545
C38:7 PC plasmalogen	1254905	1177065	965042	1340374	1091919	972893	1023005	1244240	1126681	1209394	1381066	1388814	1272723	801639	1363777	1386088	1607397	1369278	1132954	1743666	1449935	1132242	1254905	1229272	821956	1385440	1324109	1109202	1395299	1254905	1267578
C38:6 PC plasmalogen	5053033	4834892	4590374	5266382	4768679	4300643	4268580	4487918	4880263	5273986	5305340	4994000	5002377	3520994	5094973	5570310	6285223	4882178	4418535	7074362	5467623	4369739	5053033	5008916	3290199	5275553	5348758	4507326	6162951	5053033	5186068
C34:2 PE	3099508	3295040	2725995	3038501	2570761	3201821	3540903	3323642	2675924	3427886	2236444	3656016	3538067	3249213	3114562	3253742	3219262	2763076	3179498	3447448	2431634	2520125	3099508	3002961	1953512	2540388	3295913	2797684	3500779	3099508	2905098
C34:0 PE	2583071	2597866	2352040	2805537	2264930	2386934	2536585	2466615	2828521	2447508	2437067	3287652	2942334	2181991	2750274	2535030	2642950	2289529	1601884	2900053	3478136	2432344	2583071	2712074	2289610	2614976	2957617	2918954	2204265	2583071	2908351
C36:4 PE	8078535	7995574	7242819	6650767	6477954	6519154	9739486	8719932	7942211	8127798	5046423	12173810	9502633	7815809	9729984	9305398	8636614	7048431	8040396	8057965	6834803	6429217	8078535	7973578	5637331	6079028	8975043	6991129	7963606	8078535	8130381
C36:2 PE	5351530	5667289	4707901	5692549	5192573	5341866	5966120	5229582	4792231	5311358	4837464	4895756	5775768	5856070	4631468	5125935	5425209	5554119	4734846	5717640	5323822	5558409	5351530	5147434	4726538	5150724	6945053	5442114	6324683	5351530	5465302
C38:6 PE	1778038	1813474	1503329	1675710	1464195	1455426	1921728	1615764	1459714	1920051	1515813	2307330	2031516	1602732	1877964	1829454	1794077	1667009	1399530	1900718	1870198	1838734	1778038	1787946	1827347	1595613	2337963	1808521	1899701	1778038	1782157
C38:4 PE	24559921	24881783	25983935	22514431	21965281	22202946	30902321	23712784	24778214	24555858	19908232	28626649	27307612	25437330	25031391	25932508	25663641	23554747	23033842	23866529	25497965	22827125	24559921	24590116	19924739	18412559	26865178	22064179	25039438	24559921	24873709
C40:6 PE	1821973	1803441	1653235	1746979	1537789	1523627	2052381	1538194	1430382	1841393	1633765	2041040	2002455	1638271	1645057	1698718	1766841	1575366	1226380	1709864	2230504	1905418	1821973	1775609	1803851	1536430	2396456	1941096	1929709	1821973	1889331
C34:3 PE plasmalogen	226862	230594	146304	252431	244224	212738	192456	243130	293287	209523	238037	228405	238114	170451	255717	245357	254852	238255	242005	287637	186566	189276	226862	209201	186089	195047	224969	241867	227748	226862	225437
C34:2 PE plasmalogen	652608	644284	442282	868144	747920	613242	397688	620314	673103	496277	983976	549415	611778	442039	648613	633631	575315	820823	578572	757163	816704	755219	652608	636728	650047	763264	549270	713255	553485	652608	670963
C36:5 PE plasmalogen	12539354	12522840	10005254	13663250	11952619	12796218	10841869	11500956	11870925	13145690	13237452	12812115	13740867	10298540	12471282	12836227	12958546	12387820	11086614	14074180	11678466	11482904	12539354	12196787	9324957	12901820	12926481	11806964	12727461	12539354	12830649
C38:7 PE plasmalogen	2545607	2501489	1886277	2750541	2154581	2315281	2085840	2161100	2194677	2515394	2743876	2786438	2833841	2153212	2370899	2457523	2506558	2434215	1910972	2842525	2660064	2466589	2545607	2451324	2088969	2761803	2862773	2673955	2565699	2545607	2607024
C38:6 PE plasmalogen	8500910	8441179	6889760	9245359	7740534	8388809	7341719	7058614	8259295	8942157	8677408	8848045	9316005	6928087	7968020	8853819	8660312	8007364	6806025	9953424	8454631	7873676	8500910	8272042	6845092	9040097	9947863	7991854	8850158	8500910	8628020
C38:5 PE plasmalogen	22162045	22047547	22789079	22220104	20884666	22468270	22017609	21065188	21249040	21814604	23591978	21243517	23026033	23166309	20626998	22289412	24124941	21415317	19336315	23354144	22631849	19894532	22162045	21454256	16211711	19961567	21778130	20943173	22977312	22162045	22686497
C40:7 PE plasmalogen	3579904	3558179	3156717	3843214	3111227	3309650	3125582	3643652	3202763	3371160	4299287	3685711	3559442	3414955	3201576	3471840	4012009	4008712	2836496	4241488	4293463	3398334	3579904	3634542	3181937	3497309	3759462	3723874	3680315	3579904	3667733
C14:0 SM	12162	17220	26398	32253	11849	7243	27495	32258	34352	30223	13873	4143	56230	nan	32810	51598	46773	55087	4212	73638	54699	35930	12162	19662	15523	nan	nan	7759	23361	12162	13154
C16:1 SM	2393374	2498557	1374771	3295768	1108501	2145228	2552066	1885705	2121554	2611655	2873440	3069728	2647905	1125661	1818625	3146906	2452564	2298016	1698792	3530130	2862485	2030997	2393374	2260834	1825067	2293988	3052217	2234772	2649860	2393374	2512385
C16:0 SM	51227550	53121098	44655823	56022291	35135088	50200023	55131408	50317880	58967131	47189079	58249622	56261890	54006456	37387937	38486210	56121227	55561867	52393475	32800772	58150125	66961336	48844769	51227550	47257472	37663411	39562964	52246035	43144627	50939669	51227550	53045563
C18:1 SM	3534872	3372328	2168299	4595965	2632863	3756820	2984230	2266833	2859791	3613848	4127547	4020959	4178899	1948190	3238243	3770914	3819781	2915649	1954744	5021806	4417645	3167552	3534872	3711097	2870411	3771251	4540857	2859912	3663320	3534872	3567484
C18:0 SM	16742270	15620823	17348311	16614202	16543245	17980313	16178822	13816153	17072013	12752183	17461750	13852638	17345127	16031896	15426478	16940665	17763303	14855806	10395627	18305762	22654577	17261768	16742270	17706038	12746038	13480120	14548218	12103640	14379577	16742270	16874689
C20:0 SM	3309118	3278540	3730275	3403965	4022887	3814676	3129376	3123661	3832821	2527441	3830840	2940624	2949288	3023781	3110226	3237340	3408620	2643359	2508560	3648954	4198126	3615414	3309118	3293336	2405730	2821335	2540293	1939387	2459366	3309118	3407224
C22:0 SM	2502419	2442117	3093101	2405171	2944434	2864232	2422188	2402600	2486912	2051350	2854299	2252401	2107212	2518712	2268710	2267311	2432842	1751910	2167343	2433489	2692295	2730325	2502419	2470200	1857840	2300142	2004744	1476425	2030360	2502419	2713234
sphingosine	2423074	2398562	2227095	1882610	2268048	1374546	3387275	1536705	1367120	3069647	1471452	2086469	1924552	2063288	1675328	1963750	2249363	1315094	1468682	1950419	2062658	4420493	2423074	2444726	2487711	1742816	5357722	2240111	4425101	2423074	2325374
phytosphingosine	405110	396255	328303	257565	487293	246333	556940	342588	251574	441524	263147	554050	381495	385263	481409	436558	343390	241834	311749	247441	388674	496659	405110	395197	330842	344202	474623	387919	518904	405110	399253
sphinganine	236579	227522	178289	162075	257548	200823	227577	185388	152708	249131	156334	248806	223435	222782	170745	209988	205242	170412	163983	244751	178183	393093	236579	243599	293032	178432	493135	236474	346681	236579	234139
C16:0 Ceramide (d18:1)	1320358	1250772	1581721	579385	1173494	1368935	1187128	1418678	1408995	1009518	880833	1071303	1098949	1429432	1323901	1548933	900101	1430991	2085513	1650418	1801426	1942768	1320358	1341476	1923521	1243089	1563280	1561553	1419722	1320358	1422232
C24:1 ceramide (d18:1)	2341937	2300555	3070818	939507	2976839	2516372	2189366	2243114	2253308	2582004	1676504	2127617	1656083	2418712	2392763	2263581	1315601	1730622	2744507	2472475	3279127	2383943	2341937	2105583	1843892	2154319	2032443	2440794	2372353	2341937	2168278
C34:1 DAG	32235	29944	3687	18464	22646	19923	20218	12199	20273	49587	14982	25303	23425	17371	42625	42699	35503	14876	62083	73189	36052	10625	32235	37905	26748	47936	61471	65633	51184	32235	37407
C16:1 LPE	11493	10499	4416	6552	7672	6381	8339	4068	3871	8297	7307	12337	57912	7210	9097	10988	8465	8506	15331	6023	6148	4511	11493	11781	33828	11706	13034	6620	8566	11493	10625
cAMP	181014	127723	68192	186243	49482	95729	147508	57758	129560	315695	439723	139623	156098	212298	206898	53643	233160	168198	56717	316564	246933	118183	181014	193587	104451	238517	285900	350516	696649	181014	214516
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]	6.69
valine-d8	C5H3D8NO2	126.1367	125.1292	valine-d8 [iSTD]	7.4
1-methyladenosine	C11H15N5O4	282.1192	281.1124	1-Methyladenosine	7.64
1-methylguanosine	C11H15N5O5	298.1135	297.1073	1-Methylguanosine	5.01
1-methylhistamine	C6H11N3	126.1028	125.0953	1-Methylhistamine	9.56
1-methylnicotinamide	C7H9N2O	137.0708	137.0715	1-Methyl nicotinamide	8.2
21-deoxycortisol	C21H30O4	347.2206	346.2144	21-Deoxycortisol	2.02
2'-deoxyadenosine	C10H13N5O3	252.1086	251.1018	Deoxyadenosine	5.18
2'-deoxycytidine	C9H13N3O4	228.0969	227.0906	Deoxycytidine	5.96
2'-O-methyladenosine	C11H15N5O4	282.1192	281.112405	2'-O-Methyladenosine	4.63
3-methylhistidine	C7H11N3O2	170.0917	169.0851	3-Methylhistidine	9.79
4-guanidinobutanoate	C5H11N3O2	146.0921	145.0851	4-Guanidinobutanoic acid	7.23
4-pyridoxate	C8H9NO4	184.0595	183.0532	4-Pyridoxic acid	4.1
5-hydroxytryptophol	C10H11NO2	178.0853	177.079	5-Hydroxytryptophol	1.99
5-methylcytidine	C10H15N3O5	258.1081	257.1012	5-Methylcytidine	6.01
5-methylcytosine	C5H7N3O	126.0663	125.0589	5-Methylcytosine	6.09
7-methylguanine	C6H7N5O	166.0717	165.0651	7-Methylguanine	5.74
acetylcholine	C7H16NO2	146.1172	146.1181	Acetylcholine	7.73
acisoga	C9H16N2O2	185.1275	184.121178	Acisoga	5.6
adenosine	C10H13N5O4	268.1037	267.0968	Adenosine	4.99
ADMA	C8H18N4O2	203.1493	202.143	Dimethylarginine	9.71
agmatine	C5H14N4	131.1292	130.1218	Agmatine	9.09
ala-ala	C6H12N2O3	161.0915	160.084793	Ala-Ala	7.89
alanine	C3H7NO2	90.0551	89.0477	Alanine	7.78
allantoin	C4H6N4O3	159.0507	158.044	Allantoin	3.62
alpha-glycerophosphocholine	C8H20NO6P	258.1098	257.1028	sn-Glycero-3-phosphocholine	10.41
alpha-hydroxymetoprolol	C15H25NO4	284.1852	283.1784	alpha-Hydroxymetoprolol	7.42
anserine	C10H16N4O3	241.1286	240.1222	Anserine	10.45
arachidoyl ethanolamide	C22H45NO2	356.3514	355.345	Eicosanoyl-EA	1.99
arginine	C6H14N4O2	175.1181	174.1117	Arginine	9.09
asparagine	C4H8N2O3	133.0608	132.0535	Asparagine	7.88
aspartate	C4H7NO4	134.0448	133.0375	Aspartic acid	7.92
beta-alanine	C3H7NO2	90.0551	89.0477	beta-Alanine	7.98
beta-guanidinopropionate	C4H9N3O2	132.0768	131.0695	3-Guanidinopropanoic acid	7.46
betaine	C5H11NO2	118.0865	117.079	Betaine	8.96
biliverdin	C33H34N4O6	583.2539	582.2478	Biliverdin	1.95
biopterin	C9H11N5O3	238.0927	237.0862	Biopterin	5.16
butyrobetaine	C7H15NO2	146.1172	145.1103	3-Dehydroxycarnitine	8.79
N-acetylgalactosamine	C8H15NO6	222.0962	221.0899	N-Acetyl-D-galactosamine	5.49
carnitine	C7H15NO3	162.1118	161.1052	Carnitine	8.83
C2 carnitine	C9H17NO4	204.1219	203.1158	CAR(2:0)	8.69
C3 carnitine	C10H19NO4	218.1377	217.1314	CAR(3:0)	8.33
C3-DC carnitine	C10H17NO6	248.1123	247.1056	CAR(DC3:0)	9.49
C3-DC-CH3 carnitine	C11H19NO6	262.1283	261.1212	CAR(DC3:0(2Me))	8.6
C4 carnitine	C11H21NO4	232.1535	231.1471	CAR(4:0)	7.99
C4-OH carnitine	C11H21NO5	248.1486	247.142	CAR(4:0(OH))	8.72
C5 carnitine	C12H23NO4	246.1694	245.1627	CAR(5:0)	7.77
C5:1 carnitine	C12H21NO4	244.1537	243.1471	CAR(5:1)	7.86
C6 carnitine	C13H25NO4	260.1853	259.1784	CAR(6:0)	7.55
C7 carnitine	C14H27NO4	274.2009	273.194	CAR(7:0)	7.39
C8 carnitine	C15H29NO4	288.2165	287.2097	CAR(8:0)	7.3
C10 carnitine	C17H33NO4	316.2475	315.241	CAR(10:0)	7.09
C12 carnitine	C19H37NO4	344.2787	343.2723	CAR(12:0)	6.89
C12:1 carnitine	C19H35NO4	342.263	341.2566	CAR(12:1)	6.95
C14 carnitine	C21H41NO4	372.3099	371.3036	CAR(14:0)	6.73
C14:1 carnitine	C21H39NO4	370.2944	369.2879	CAR(14:1)	6.72
C14:2 carnitine	C21H37NO4	368.2787	367.2723	CAR(14:2)	6.79
C16 carnitine	C23H45NO4	400.3412	399.3349	CAR(16:0)	6.61
C16-OH carnitine	C23H45NO5	416.3362	415.3298	CAR(16:0(OH))	7.06
C18 carnitine	C25H49NO4	428.3726	427.3662	CAR(18:0)	6.51
C18:1 carnitine	C25H47NO4	426.357	425.3505	CAR(18:1)	6.53
C18:1-OH carnitine	C25H47NO5	442.352	441.3454	CAR(18:1(OH))	6.97
C18:2 carnitine	C25H45NO4	424.3413	423.3349	CAR(18:2)	6.59
C20 carnitine	C27H53NO4	456.4041	455.3975	CAR(20:0)	6.4
C20:4 carnitine	C31H54NO4	448.3413	447.3349	CAR(20:4)	6.48
C26 carnitine	C33H65NO4	540.499	539.4914	CAR(26:0)	6.2
cadaverine	C5H14N2	103.1232	102.1157	Cadaverine	9.27
C-glycosyltryptophan	C17H22N2O7	367.1491	366.1427	C-Glycosyltryptophan	7.07
choline	C5H14NO	104.1071	104.1075	Choline	8.24
citrulline	C6H13N3O3	176.1021	175.0957	Citrulline	8.32
creatine	C4H9N3O2	132.0768	131.0695	Creatine	8.3
creatinine	C4H7N3O	114.0665	113.0589	Creatinine	6.44
cyclohexylamine	C6H13N	100.1122	99.1048	Cyclohexylamine	6.38
cystine	C6H12N2O4S2	241.0303	240.023848	Cystine	9.02
cytidine	C9H13N3O5	244.0923	243.0855	Cytidine	5.84
dimethylglycine	C4H9NO2	104.0708	103.0633	Dimethylglycine	8.51
ectoine	C6H10N2O2	143.0812	142.0742	Ectoine	8.91
GABA	C4H9NO2	104.0707	103.0633	gamma-Aminobutyric acid	7.54
glutamate	C5H9NO4	148.06	147.0532	Glutamic acid	7.62
glutamine	C5H10N2O3	147.076	146.0691	Glutamine	8
glutathione reduced	C10H17N3O6S	308.0904	307.0838	Glutathione	7.87
glycine	C2H5NO2	76.0393	75.032	Glycine	7.9
guanidinoacetate	C3H7N3O2	118.0614	117.0538	Guanidoacetic acid	7.86
guanosine	C10H13N5O5	284.0985	283.0917	Guanosine	5.27
hippurate	C9H9NO3	180.0646	179.0582	Hippuric acid	2.7
histamine	C5H9N3	112.0872	111.0796	Histamine	9.14
histidine	C6H9N3O2	156.0763	155.0695	Histidine	9.21
homoarginine	C7H16N4O2	189.1335	188.1273	Homoarginine	9.15
hydroxyproline	C5H9NO3	132.0655	131.0582	Hydroxyproline	7.86
hypotaurine	C2H7NO2S	110.0273	109.0198	Hypotaurine	7.97
imidazole propionate	C6H8N2O2	141.0656	140.058578	Imidazolepropionic acid	7.42
imidazoleacetate	C5H6N2O2	127.0504	126.0429	Imidazoleacetic acid	8.06
inosine	C10H12N4O5	269.0877	268.0808	Inosine	4.87
isoleucine	C6H13NO2	132.1019	131.0946	Isoleucine	7.07
kynurenate	C10H7NO3	190.0488	189.0426	Kynurenic acid	5.24
L-alpha-glutamyl-L-Lysine	C11H21N3O5	276.155	275.148122	Glu-Lys	9.67
leucine	C6H13NO2	132.1019	131.0946	Leucine	6.94
leu-gly	C8H16N2O3	189.1223	188.116093	Leu-Gly	7.44
linoleoyl ethanolamide	C20H37NO2	324.289	323.2824	Linoleoyl-EA	1.99
lysine	C6H14N2O2	147.1124	146.1055	Lysine	9.33
methionine	C5H11NO2S	150.0579	149.0511	Methionine	7.01
methionine sulfoxide	C5H11NO3S	166.0526	165.046	Methionine sulfoxide	8.61
methyl N-methylanthranilate	C9H11NO2	166.0855	165.078979	Methyl N-methylanthranilate	1.99
methylguanidine	C2H7N3	74.0713	73.064	Methylguanidine	6.75
methylimidazoleacetate	C6H8N2O2	141.0657	140.0586	Methylimidazoleacetic acid	8.89
methylthioadenosine	C11H15N5O3S	298.0962	297.0896	5'-Methylthioadenosine	4.22
N1-acetylspermidine	C9H21N3O	188.1747	187.1685	N1-Acetylspermidine	9.77
N1-methyl-2-pyridone-5-carboxamide	C7H8N2O2	153.0654	152.0586	N1-Methyl-2-pyridone-5-carboxamide	4.3
N2,N2-dimethylguanosine	C12H17N5O5	312.1296	311.12297	N2,N2-Dimethylguanosine	5.33
N4-acetylcytidine	C11H15N3O6	286.1029	285.0961	N4-Acetylcytidine	4.3
N6,N6,N6-trimethyllysine	C9H20N2O2	189.1587	188.1525	N-6-Trimethyllysine	11.19
N6,N6-dimethyllysine	C8H18N2O2	175.1433	174.136828	N(6),N(6)-Dimethyl-lysine	10.22
N6-acetyllysine	C8H16N2O3	189.1223	188.1161	N6-Acetyllysine	8.36
N6-methyllysine	C7H16N2O2	161.1279	160.1212	N(6)-Methyllysine	9.63
N-acetylaspartate	C6H9NO5	176.0545	175.0481	N-Acetylaspartic acid	4.59
N-acetylglutamine	C7H12N2O4	189.0859	188.0797	N-Acetylglutamine	7.06
N-acetylhistamine	C7H11N3O	154.0969	153.0902	N-Acetylhistamine	7.7
N-acetylhistidine	C8H11N3O3	198.0837	197.08	N-Acetylhistidine	8.34
N-acetylleucine	C8H15NO3	174.1117	173.1052	N-Acetylleucine	2.9
N-acetylmethionine	C7H13NO3S	192.068	191.0616	N-Acetylmethionine	3.58
N-acetylornithine	C7H14N2O3	175.1069	174.1004	N-Acetylornithine	8.38
N-acetylputrescine	C6H14N2O	131.1179	130.1106	N-Acetylputrescine	7.88
N-acetyltryptophan	C13H14N2O3	247.107	246.1004	N-Acetyl-D-tryptophan	2.96
N-alpha-acetylarginine	C8H16N4O3	217.1286	216.1222	N-Acetylarginine	8.15
N-carbamoyl-beta-alanine	C4H8N2O3	133.0608	132.0535	Ureidopropionic acid	4.14
niacinamide	C6H6N2O	123.0557	122.048	Niacinamide	3.75
N-lauroylglycine	C14H27NO3	258.2061	257.199094	N-Lauroylglycine	2.4
N-methylproline	C6H11NO2	130.0863	129.078979	N-Methyl-proline	8.61
NMMA	C7H16N4O2	189.1336	188.1273	Targinine	9.32
ornithine	C5H12N2O2	133.0972	132.0899	Ornithine	9.22
pantothenate	C9H17NO5	220.117	219.1107	Pantothenic acid	3.15
pantothenol	C9H19NO4	206.1377	205.1314	Pantothenol	3.79
phenylacetylglycine	C10H11NO3	194.0801	193.0739	Phenylacetylglycine	2.86
phenylalanine	C9H11NO2	166.0856	165.079	Phenylalanine	6.68
phosphocholine	C5H14NO4P	184.0724	183.066	Choline phosphate	10.91
pipecolate	C6H11NO2	130.0863	129.079	Pipecolic acid	7.96
progesterone	C21H30O2	315.231	314.2246	Progesterone	1.86
pro-gly	C7H12N2O3	173.0912	172.084793	Pro-Gly	8.45
proline	C5H9NO2	116.0709	115.0633	Proline	8.08
proline-betaine	C7H13NO2	144.1016	143.0946	Proline betaine	9.22
pterin	C6H5N5O	164.056	163.0494	Pterin	4.75
putrescine	C4H12N2	89.1074	88.1	Putrescine	9.32
S-adenosylhomocysteine	C14H20N6O5S	385.1282	384.1216	S-Adenosylhomocysteine	8.09
S-adenosylmethionine	C15H23N6O5S	399.1437	399.1451	S-Adenosylmethionine	10.09
SDMA	C8H18N4O2	203.1493	202.143	Symmetric dimethyl-arginine	9.6
serine	C3H7NO3	106.0501	105.0426	Serine	7.64
serotonin	C10H12N2O	177.1014	176.095	Serotonin	6.22
S-methyl-L-cysteine-S-oxide	C4H9NO3S	152.0382	151.030316	S-Methylcysteine S-oxide	8.64
sulfamethoxazole	C10H11N3O3S	254.059	253.052112	Sulfamethoxazole	1.79
taurine	C2H7NO3S	126.0222	125.0147	Taurine	6.09
thiamine	C12H17N4OS	265.1115	265.1123	Thiamine	9.67
threonine	C4H9NO3	120.0659	119.0582	Threonine	7.58
trigonelline	C7H7NO2	138.0548	137.0477	Trigonelline	8.87
trimethylamine-N-oxide	C3H9NO	76.0757	75.0684	Trimethylamine N-oxide	8.12
tryptophan	C11H12N2O2	205.0961	204.0899	Tryptophan	6.47
tyrosine	C9H11NO3	182.0803	181.0739	Tyrosine	6.79
urate	C5H4N4O3	169.0349	168.0283	Uric acid	4.17
urocanate	C6H6N2O2	139.05	138.0429	Urocanic acid	4.55
valine	C5H11NO2	118.0866	117.079	Valine	7.38
warfarin	C19H16O4	309.1117	308.1049	Warfarin	1.71
xanthine	C5H4N4O2	153.0402	152.0334	Xanthine	3.79
xanthosine	C10H12N4O6	285.0826	284.0757	Xanthosine	4.37
C14:0 LPC	C22H46NO7P	468.3078	467.3012	LPC(14:0)	7.85
C16:1 LPC	C24H48NO7P	494.3238	493.3168	LPC(16:1)	7.76
C16:0 LPC	C24H50NO7P	496.3393	495.3325	LPC(0:0/16:0)	7.69
C18:3 LPC	C26H48NO7P	518.3217	517.3168	LPC(18:3)	7.69
C18:2 LPC A	C26H50NO7P	520.3397	519.3325	LPC(0:0/18:2)_hp_a	7.67
C18:2 LPC B	C26H50NO7P	520.3398	519.3325	LPC(0:0/18:2)_hp_b	7.57
C18:1 LPC	C26H52NO7P	522.3557	521.3481	LPC(18:1)	7.62
C18:0 LPC	C26H54NO7P	524.371	523.3638	LPC(18:0)	7.57
C20:5 LPC	C28H48NO7P	542.3228	541.3168	LPC(20:5)	7.67
C20:4 LPC	C28H50NO7P	544.34	543.3325	LPC(20:4)	7.6
C20:3 LPC	C28H52NO7P	546.3529	545.3481	LPC(20:3)	7.46
C20:1 LPC	C28H56NO7P	550.3872	549.3794	LPC(20:1)	7.5
C22:6 LPC	C30H50NO7P	568.3384	567.3325	LPC(22:6)	7.44
C22:5 LPC	C30H52NO7P	570.3547	569.3481	LPC(22:5)	7.43
C22:4 LPC	C30H54NO7P	572.3619	571.3638	LPC(22:4)	7.32
C24:0 LPC	C32H66NO7P	608.4641	607.4577	LPC(24:0)	7.28
C16:1 LPC plasmalogen	C24H50NO6P	480.3442	479.3376	LPC(P-16:0)/LPC(O-16:1)	7.51
C18:1 LPC plasmalogen A	C26H54NO6P	508.3759	507.3689	LPC(P-18:0)/LPC(O-18:1)_hp_a	7.73
C18:1 LPC plasmalogen B	C26H54NO6P	508.376	507.3689	LPC(P-18:0)/LPC(O-18:1)_hp_b	7.4
C16:0 LPE	C21H44NO7P	454.2923	453.2855	LPE(16:0)	6.25
C18:3 LPE	C23H42NO7P	476.2745	475.2699	LPE(18:3)	6.25
C18:2 LPE	C23H44NO7P	478.2925	477.2855	LPE(18:2)	6.24
C18:1 LPE	C23H46NO7P	480.3081	479.3012	LPE(18:1)	6.21
C18:0 LPE A	C23H48NO7P	482.3238	481.3168	LPE(18:0)_hp_a	6.18
C18:0 LPE B	C23H48NO7P	482.3238	481.3168	LPE(18:0)_hp_b	7.76
C20:4 LPE	C25H44NO7P	502.2926	501.2855	LPE(20:4)	6.11
C20:0 LPE	C25H52NO7P	510.3552	509.3481	LPE(20:0)	7.63
C22:6 LPE	C27H44NO7P	526.2928	525.2855	LPE(22:6)	6.08
C30:0 PC	C38H76NO8P	706.5345	705.5309	PC(30:0)	6.63
C32:2 PC	C40H76NO8P	730.535	729.5309	PC(32:2)	6.59
C34:4 PC	C42H76NO8P	754.5329	753.5309	PC(34:4)	6.52
C34:3 PC	C42H78NO8P	756.5468	755.5465	PC(34:3)	6.61
C36:2 PC	C44H84NO8P	786.5951	785.5935	PC(36:2)	6.51
C34:3 PC plasmalogen	C42H80NO7P	742.5713	741.5672	PC(P-34:2)/PC(O-34:3)	6.5
C36:5 PC plasmalogen	C44H80NO7P	766.5691	765.5672	PC(P-36:4)/PC(O-36:5)	6.42
C36:3 PE plasmalogen	C41H78NO7P	728.5554	727.5516	PE(P-36:2)/PE(O-36:3)	5.4
C38:7 PC plasmalogen	C46H80NO7P	790.5696	789.5672	PC(P-38:6)/PC(O-38:7)	6.39
C38:6 PC plasmalogen	C46H82NO7P	792.5853	791.5829	PC(P-38:5)/PC(O-38:6)	6.38
C34:2 PE	C39H74NO8P	716.5188	715.5152	PE(34:2)	5.47
C34:0 PE	C39H78NO8P	720.5505	719.5465	PE(34:0)	6.61
C36:4 PE	C41H74NO8P	740.5193	739.5152	PE(36:4)	5.41
C36:2 PE	C41H78NO8P	744.5506	743.5465	PE(36:2)	5.44
C38:6 PE	C43H74NO8P	764.517	763.5152	PE(38:6)	5.38
C38:4 PE	C43H78NO8P	768.548	767.5465	PE(38:4)	5.38
C40:6 PE	C45H78NO8P	792.5482	791.5465	PE(40:6)	5.35
C34:3 PE plasmalogen	C39H74NO7P	700.5236	699.5203	PE(P-34:2)/PE(O-34:3)	5.42
C34:2 PE plasmalogen	C39H76NO7P	702.5392	701.5359	PE(P-34:1)/PE(O-34:2)	5.42
C36:5 PE plasmalogen	C41H74NO7P	724.5241	723.5203	PE(P-36:4)/PE(O-36:5)	5.35
C38:7 PE plasmalogen	C43H74NO7P	748.522	747.5203	PE(P-38:6)/PE(O-38:7)	5.33
C38:6 PE plasmalogen	C43H76NO7P	750.5375	749.5359	PE(P-38:5)/PE(O-38:6)	5.32
C38:5 PE plasmalogen	C43H78NO7P	752.5529	751.5516	PE(P-38:4)/PE(O-38:5)	5.32
C40:7 PE plasmalogen	C45H78NO7P	776.5535	775.5516	PE(P-40:6)/PE(O-40:7)	5.3
C14:0 SM	C37H75N2O6P	675.5388	674.5363	SM(d18:1/14:0)	7.21
C16:1 SM	C39H77N2O6P	701.5551	700.5519	SM(d18:1/16:1)	7.14
C16:0 SM	C39H79N2O6P	703.5705	702.5676	SM(d18:1/16:0)	7.13
C18:1 SM	C41H81N2O6P	729.587	728.5832	SM(d18:1/18:1)	7.07
C18:0 SM	C41H83N2O6P	731.6026	730.5989	SM(d18:1/18:0)	7.05
C20:0 SM	C43H87N2O6P	759.6317	758.6302	SM(d18:1/20:0)	6.98
C22:0 SM	C45H91N2O6P	787.6632	786.6615	SM(d18:1/22:0)	6.93
sphingosine	C18H37NO2	300.2891	299.2824	Sphingosine	5.71
phytosphingosine	C18H39NO3	318.2995	317.293	Phytosphingosine	5.83
sphinganine	C18H39NO2	302.3046	301.2981	Sphinganine	5.73
C16:0 Ceramide (d18:1)	C34H67NO3	538.5196	537.5121	Cer(d18:1/16:0)	1.86
C24:1 ceramide (d18:1)	C42H83NO3	648.6262	649.6373	Cer(d18:0/24:1)	1.81
C34:1 DAG	C37H70O5	617.5107	594.5223	DG(34:1)	1.59
C16:1 LPE	C21H42NO7P	452.2771	451.2699	LPE(16:1)	8.17
cAMP	C10H12N5O6P	330.0591	329.0525	3',5' cyclic AMP	6.95
METABOLITES_END
#END