#METABOLOMICS WORKBENCH muc_20190320_115445 DATATRACK_ID:1684 STUDY_ID:ST001157 ANALYSIS_ID:AN001915 PROJECT_ID:PR000776
VERSION             	1
CREATED_ON             	March 27, 2019, 7:40 am
#PROJECT
PR:PROJECT_TITLE                 	The gut microbiota plays a central role to modulate the plasma metabolome in
PR:PROJECT_TITLE                 	response to chronic Angiotensin II infusion
PR:PROJECT_SUMMARY               	Six week old C57BL/6 conventional (mice with gut microbiota; conv, n=6) and
PR:PROJECT_SUMMARY               	germ-free (mice without gut microbiota; GF, n=6) mice were infused with
PR:PROJECT_SUMMARY               	angiotensin-II (AngII) for 4 weeks (400ng.kg-1.min-1; Alzet 1004). In parallel
PR:PROJECT_SUMMARY               	control groups, conv (n=6) and GF (n=6) mice received saline via minipumps. Our
PR:PROJECT_SUMMARY               	primary goal was to identify metabolites which were differentially regulated in
PR:PROJECT_SUMMARY               	conventional mice treated with AngII, but not in GF mice, indicating that these
PR:PROJECT_SUMMARY               	metabolites are microbial in origin. Following minipump implantation, animals
PR:PROJECT_SUMMARY               	were housed singly to prevent cross-contamination of microbiota. At the end of
PR:PROJECT_SUMMARY               	fourth week, feces and blood were collected. Both plasma and feces samples were
PR:PROJECT_SUMMARY               	processed and analyzed by using Liquid Chromatography-Tandem Mass Spectroscopy
PR:PROJECT_SUMMARY               	(LC-MS/MS) for metabolite detection (Metabolon).
PR:INSTITUTE                     	Johns Hopkins University School of Medicine
PR:LAST_NAME                     	Pluznick
PR:FIRST_NAME                    	Jennifer
PR:ADDRESS                       	725 N. Wolfe St., WBSB 205, Baltimore, MD 21205
PR:EMAIL                         	jpluznick@jhmi.edu
PR:PHONE                         	410 614 4660
#STUDY
ST:STUDY_TITLE                   	The gut microbiota plays a central role to modulate the plasma metabolome in
ST:STUDY_TITLE                   	response to chronic Angiotensin II infusion (part-I)
ST:STUDY_SUMMARY                 	Six week old C57BL/6 conventional (mice with gut microbiota; conv, n=6) and
ST:STUDY_SUMMARY                 	germ-free (mice without gut microbiota; GF, n=6) mice were infused with
ST:STUDY_SUMMARY                 	angiotensin-II (AngII) for 4 weeks (400ng.kg-1.min-1; Alzet 1004). In parallel
ST:STUDY_SUMMARY                 	control groups, conv (n=6) and GF (n=6) mice received saline via minipumps. Our
ST:STUDY_SUMMARY                 	primary goal was to identify metabolites which were differentially regulated in
ST:STUDY_SUMMARY                 	conventional mice treated with AngII, but not in GF mice, indicating that these
ST:STUDY_SUMMARY                 	metabolites are microbial in origin. Following minipump implantation, animals
ST:STUDY_SUMMARY                 	were housed singly to prevent cross-contamination of microbiota. At the end of
ST:STUDY_SUMMARY                 	fourth week, feces and blood were collected. Both plasma and feces samples were
ST:STUDY_SUMMARY                 	processed and analyzed by using Liquid Chromatography-Tandem Mass Spectroscopy
ST:STUDY_SUMMARY                 	(LC-MS/MS) for metabolite detection (Metabolon).
ST:INSTITUTE                     	Johns Hopkins University School of Medicine
ST:LAST_NAME                     	Pluznick
ST:FIRST_NAME                    	Jennifer
ST:ADDRESS                       	725 N. Wolfe St., WBSB 205, Baltimore, MD 21205
ST:EMAIL                         	jpluznick@jhmi.edu
ST:PHONE                         	410 614 4660
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENDER                        	Male and female
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	Female	JHOP-05697	Sample:Plasma | TREATMENT:Saline	
SUBJECT_SAMPLE_FACTORS           	Male	JHOP-05698	Sample:Plasma | TREATMENT:Saline	
SUBJECT_SAMPLE_FACTORS           	Male	JHOP-05699	Sample:Plasma | TREATMENT:Saline	
SUBJECT_SAMPLE_FACTORS           	Male	JHOP-05700	Sample:Plasma | TREATMENT:Saline	
SUBJECT_SAMPLE_FACTORS           	Female	JHOP-05701	Sample:Plasma | TREATMENT:Saline	
SUBJECT_SAMPLE_FACTORS           	Female	JHOP-05702	Sample:Plasma | TREATMENT:Saline	
SUBJECT_SAMPLE_FACTORS           	Male	JHOP-05703	Sample:Plasma | TREATMENT:Angiotensin II	
SUBJECT_SAMPLE_FACTORS           	Male	JHOP-05704	Sample:Plasma | TREATMENT:Angiotensin II	
SUBJECT_SAMPLE_FACTORS           	Male	JHOP-05705	Sample:Plasma | TREATMENT:Angiotensin II	
SUBJECT_SAMPLE_FACTORS           	Female	JHOP-05706	Sample:Plasma | TREATMENT:Angiotensin II	
SUBJECT_SAMPLE_FACTORS           	Female	JHOP-05707	Sample:Plasma | TREATMENT:Angiotensin II	
SUBJECT_SAMPLE_FACTORS           	Female	JHOP-05708	Sample:Plasma | TREATMENT:Angiotensin II	
SUBJECT_SAMPLE_FACTORS           	Female	JHOP-05709	Sample:Plasma | TREATMENT:Saline	
SUBJECT_SAMPLE_FACTORS           	Female	JHOP-05710	Sample:Plasma | TREATMENT:Saline	
SUBJECT_SAMPLE_FACTORS           	Female	JHOP-05711	Sample:Plasma | TREATMENT:Saline	
SUBJECT_SAMPLE_FACTORS           	Male	JHOP-05712	Sample:Plasma | TREATMENT:Saline	
SUBJECT_SAMPLE_FACTORS           	Male	JHOP-05713	Sample:Plasma | TREATMENT:Saline	
SUBJECT_SAMPLE_FACTORS           	Male	JHOP-05714	Sample:Plasma | TREATMENT:Saline	
SUBJECT_SAMPLE_FACTORS           	Female	JHOP-05715	Sample:Plasma | TREATMENT:Angiotensin II	
SUBJECT_SAMPLE_FACTORS           	Female	JHOP-05716	Sample:Plasma | TREATMENT:Angiotensin II	
SUBJECT_SAMPLE_FACTORS           	Female	JHOP-05717	Sample:Plasma | TREATMENT:Angiotensin II	
SUBJECT_SAMPLE_FACTORS           	Male	JHOP-05718	Sample:Plasma | TREATMENT:Angiotensin II	
SUBJECT_SAMPLE_FACTORS           	Male	JHOP-05719	Sample:Plasma | TREATMENT:Angiotensin II	
SUBJECT_SAMPLE_FACTORS           	Male	JHOP-05720	Sample:Plasma | TREATMENT:Angiotensin II	
#COLLECTION
CO:COLLECTION_SUMMARY            	Plasma
CO:SAMPLE_TYPE                   	Blood (serum)
#TREATMENT
TR:TREATMENT_SUMMARY             	Six week old C57BL/6 conventional (mice with gut microbiota; conv, n=6) and
TR:TREATMENT_SUMMARY             	germ-free (mice without gut microbiota; GF, n=6) mice were infused with
TR:TREATMENT_SUMMARY             	angiotensin-II (AngII) for 4 weeks (400ng.kg-1.min-1; Alzet 1004). In parallel
TR:TREATMENT_SUMMARY             	control groups, conv (n=6) and GF (n=6) mice received saline via minipumps.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Samples were prepared using the automated MicroLab STAR® system from Hamilton
SP:SAMPLEPREP_SUMMARY            	Company. Several recovery standards were added prior to the first step in the
SP:SAMPLEPREP_SUMMARY            	extraction process for QC purposes. To remove protein, dissociate small
SP:SAMPLEPREP_SUMMARY            	molecules bound to protein or trapped in the precipitated protein matrix, and to
SP:SAMPLEPREP_SUMMARY            	recover chemically diverse metabolites, proteins were precipitated with methanol
SP:SAMPLEPREP_SUMMARY            	under vigorous shaking for 2 min (Glen Mills GenoGrinder 2000) followed by
SP:SAMPLEPREP_SUMMARY            	centrifugation. The resulting extract was divided into five fractions: two for
SP:SAMPLEPREP_SUMMARY            	analysis by two separate reverse phase (RP)/UPLC-MS/MS methods with positive ion
SP:SAMPLEPREP_SUMMARY            	mode electrospray ionization (ESI), one for analysis by RP/UPLC-MS/MS with
SP:SAMPLEPREP_SUMMARY            	negative ion mode ESI, one for analysis by HILIC/UPLC-MS/MS with negative ion
SP:SAMPLEPREP_SUMMARY            	mode ESI, and one sample was reserved for backup. Samples were placed briefly on
SP:SAMPLEPREP_SUMMARY            	a TurboVap® (Zymark) to remove the organic solvent. The sample extracts were
SP:SAMPLEPREP_SUMMARY            	stored overnight under nitrogen before preparation for analysis.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Waters Acquity
CH:COLUMN_NAME                   	Waters Acquity CSH C18 (100 x 2.1mm, 1.7um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	None
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Peaks area
MS_METABOLITE_DATA_START
Samples	JHOP-05697	JHOP-05698	JHOP-05699	JHOP-05700	JHOP-05701	JHOP-05702	JHOP-05703	JHOP-05704	JHOP-05705	JHOP-05706	JHOP-05707	JHOP-05708	JHOP-05709	JHOP-05710	JHOP-05711	JHOP-05712	JHOP-05713	JHOP-05714	JHOP-05715	JHOP-05716	JHOP-05717	JHOP-05718	JHOP-05719	JHOP-05720
Factors	Sample:Plasma | TREATMENT:Saline	Sample:Plasma | TREATMENT:Saline	Sample:Plasma | TREATMENT:Saline	Sample:Plasma | TREATMENT:Saline	Sample:Plasma | TREATMENT:Saline	Sample:Plasma | TREATMENT:Saline	Sample:Plasma | TREATMENT:Angiotensin II	Sample:Plasma | TREATMENT:Angiotensin II	Sample:Plasma | TREATMENT:Angiotensin II	Sample:Plasma | TREATMENT:Angiotensin II	Sample:Plasma | TREATMENT:Angiotensin II	Sample:Plasma | TREATMENT:Angiotensin II	Sample:Plasma | TREATMENT:Saline	Sample:Plasma | TREATMENT:Saline	Sample:Plasma | TREATMENT:Saline	Sample:Plasma | TREATMENT:Saline	Sample:Plasma | TREATMENT:Saline	Sample:Plasma | TREATMENT:Saline	Sample:Plasma | TREATMENT:Angiotensin II	Sample:Plasma | TREATMENT:Angiotensin II	Sample:Plasma | TREATMENT:Angiotensin II	Sample:Plasma | TREATMENT:Angiotensin II	Sample:Plasma | TREATMENT:Angiotensin II	Sample:Plasma | TREATMENT:Angiotensin II
(12 or 13)-methylmyristate (a15:0 or i15:0)	1.0668	1.9067	1.0828	0.5658	1.1731	0.6526	1.149	0.8797	1.0689	1.6314	0.6633	0.8398	1.1936	0.6724	1	0.9662	1.0167	1.257	1.2396	0.7121	0.5658	0.9131	0.9626	0.9
(14 or 15)-methylpalmitate (a17:0 or i17:0)	1.0245	1.6017	0.9755	0.6014	1.0818	0.7525	1.0697	0.8689	1.1792	1.3915	0.7756	0.7187	1.1451	0.7489	1.0412	1.0939	1.0266	1.2589	1.4387	0.914	0.9419	0.7927	0.9182	0.9066
(16 or 17)-methylstearate (a19:0 or i19:0)	0.5947	1.2293	1.1898	0.4389	1.5132	0.6205	0.9896	1.222	0.9976	2.3142	0.4715	0.5225	0.7455	0.7705	1.4227	1.7358	1.546	1.0024	1.4342	1.0267	0.6623	0.7876	0.7886	1.3758
(N(1) + N(8))-acetylspermidine	0.6994	0.474	0.3408	0.5489	1.5533	1.3824	1.0363	1.0653	0.9637	1.6295	1.3869	0.2821	0.7887	0.7442	0.616	0.8523	1.0593	1.3281	1.1328	1.0538	0.7693	1.0556	1.1872	0.916
1-(1-enyl-oleoyl)-GPE (P-18:1)	1.1051	1.2113	1.0238	0.7441	2.3487	1.1883	0.955	1.6043	1.3791	0.9989	1.0064	1.3597	1.1863	1.0011	0.8094	0.6287	1.0216	0.9021	0.4861	0.5749	0.5124	0.9525	0.8097	0.9022
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)	0.6755	1.1103	0.8574	0.6809	0.9781	0.8126	1.0077	1.1476	1.0064	0.8622	0.6709	1.0649	1.2013	1.3225	1.1622	0.9936	1.3034	1.6409	0.9407	0.8719	0.8654	0.8818	1.1616	1.4472
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)	0.78	1.2919	0.9209	0.9266	1.0795	1.0099	1.1246	0.9855	1.0321	0.805	0.8678	0.872	1.3357	1.205	1.058	0.9224	0.9901	1.0612	0.6828	0.636	0.7889	1.4451	1.0614	1.2736
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)	0.5275	1.2957	1.149	1.0116	1.277	0.9884	1.0673	1.3397	0.9657	0.863	0.6287	0.6707	1.1529	1.1183	0.9688	0.9457	1.1857	1.3142	0.62	0.5385	0.7493	1.2215	0.7358	1.3469
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)	0.7378	0.9514	1.1332	0.8004	0.9981	0.9242	1.4466	1.3965	1.215	1.3007	1.0112	1.0019	0.9125	1.0913	1.2686	1.1425	1.2022	1.2432	0.6861	0.7252	0.8411	0.885	0.9582	0.9638
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)	0.8095	1.9807	0.9628	1.0192	1.7255	1.3623	1.4445	1.8275	1.7067	0.9799	1.0655	1.4466	0.9017	1.0778	0.9631	0.7603	1.2631	1.3022	0.632	0.5982	0.5434	0.9808	0.8421	0.9063
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)	0.7513	0.9469	1.0377	0.7572	0.9243	1.0448	1.222	1.2961	1.1132	1.2352	0.9775	1.0505	0.9339	1.0108	1.2171	1.0836	1.1082	1.1896	0.6493	0.6611	0.774	0.9195	0.9892	0.9374
1-(1-enyl-palmitoyl)-GPC (P-16:0)	0.9713	1.0169	0.8107	0.4278	1.486	1.2963	1.5647	1.3672	1.3205	1.0004	1.1992	0.8389	0.8376	0.8283	1.0288	0.9063	0.7115	1.061	0.6953	0.6736	0.9215	1.2532	0.9996	1.0457
1-(1-enyl-palmitoyl)-GPE (P-16:0)	0.7497	0.943	1.0017	0.509	1.6847	1.1791	1.0501	1.1971	1.1419	0.9592	1.045	0.9295	1.3884	1.083	0.8674	0.6958	0.9983	1.1091	0.773	0.6473	0.8319	1.2756	0.9691	1.0262
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)	0.7724	1.0201	0.7348	0.4826	1.0863	1.1149	1.2323	1.0279	0.9512	0.8408	0.9134	0.9412	1.4715	1.5394	1.2612	0.9799	1.197	1.2854	0.8895	0.8979	0.9098	0.8451	1.1118	1.3595
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)	0.7361	1.3519	0.7232	0.6091	1.3322	1.0281	1.0339	1.1993	1.2843	0.8567	0.8029	0.7343	1.1484	1.1415	0.9935	0.8502	0.9141	1.0075	0.7929	0.5738	0.6391	1.0538	1.0065	1.118
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)	0.8328	1.5723	0.7969	0.5347	1.6147	0.9691	1.1238	1.9089	1.4342	1.2107	0.9756	0.9459	1.0169	1.4254	1.2191	0.8543	1.3106	0.922	0.9831	0.6892	0.6756	1.1507	0.7081	1.4747
1-(1-enyl-stearoyl)-GPE (P-18:0)	0.8689	0.9446	0.9188	0.3876	1.5448	1.4224	1.1755	1.1813	1.1686	0.8346	1.0077	0.7911	1.4929	1.2297	1.4134	0.8341	0.7449	0.9597	0.9749	0.9394	1.5446	1.4924	0.9923	1.1154
1,2,3-benzenetriol sulfate (2)	0.0561	0.0561	0.0561	0.0561	1	1.3305	0.0561	0.0561	0.0561	0.0561	0.0561	0.0561	0.0561	0.0561	0.0561	0.0561	0.0561	0.0561	0.0561	0.0561	0.0561	0.0561	0.0561	0.0561
1,2-dilinoleoyl-GPC (18:2/18:2)	0.9278	1.3457	0.9235	0.8446	1.1403	1.0134	1.2005	1.069	1.0859	0.748	0.8368	0.8149	1.6081	1.3163	0.9866	0.9472	0.971	1.1235	0.8884	0.7641	0.9505	1.3954	1.1815	1.4902
1,2-dilinoleoyl-GPE (18:2/18:2)	0.2877	1.2147	0.6058	0.9509	0.4881	0.3304	1.0359	1.3486	0.6046	0.4766	0.2877	1.611	1.9177	1.0945	0.8684	0.9641	1.5063	1.0647	0.8194	0.3671	0.2877	2.2203	1.24	1.8575
1,2-dipalmitoyl-GPC (16:0/16:0)	0.9036	1.1481	0.8192	0.978	1.0888	1.218	1.1106	1.3605	1.0576	0.9705	1.0758	1.6085	1.0127	1.0346	0.9632	0.956	1.2086	1.0983	0.8022	0.7017	0.8599	0.8349	0.9873	0.9439
1,5-anhydroglucitol (1,5-AG)	0.5335	0.4764	0.6388	0.2574	1.3846	0.926	0.6088	0.8964	0.7258	1.0275	1.0172	0.6175	1.3144	1.5058	1.7745	1.0675	1.2386	0.9771	1.7262	1.6578	1.4997	0.7	0.9828	1.1314
10-heptadecenoate (17:1n7)	1.2711	1.4961	1.0226	0.3033	1.0559	0.6591	1.1119	0.6211	0.9971	1.7735	0.5664	0.5449	1.456	0.6758	1.2256	1.1422	0.8064	1.2499	1.5688	0.9114	1.0029	0.7358	0.7431	0.8242
10-nonadecenoate (19:1n9)	1.0616	1.3828	1.0513	0.3037	1.201	0.6833	1.3249	0.6585	1.0649	2.1844	0.5959	0.6091	1.2514	0.6162	1.2763	1.0082	0.9918	1.157	1.3928	0.7488	0.8896	0.6737	0.7086	0.7528
10-undecenoate (11:1n1)	0.8919	0.3065	0.3265	0.2403	1.8551	1.9908	0.4186	0.5088	0.6723	1.3212	1.1203	0.9939	1.848	1.84	1.4385	0.4148	1.031	1.0049	1.6597	0.9951	1.5909	1.0589	0.6194	0.607
12,13-DiHOME	0.6318	0.8396	0.5221	0.5304	1.0312	0.6503	1.0011	1.2152	1.6912	1.5672	0.497	0.5719	2.0154	0.9933	1.1246	0.9119	0.9989	1.8974	1.1023	0.7063	0.6449	4.6543	1.1397	1.1465
12-HEPE	2.373	4.4595	0.6124	5.6714	0.8186	0.8149	0.4611	1.1814	2.6319	2.7217	0.6413	4.0267	1.6451	1.529	0.1323	0.6922	1.8749	2.4282	0.7545	0.5295	0.115	0.2836	2.4393	0.7751
12-HETE	1.7242	3.982	0.2812	7.9199	0.783	0.9727	0.2968	1.2336	3.0418	2.0662	0.9429	2.8923	1.0273	1.6589	0.2292	0.587	3.0685	2.4864	0.5424	0.6764	0.1588	0.2007	2.6617	0.8821
13-HODE + 9-HODE	1.5801	1.6117	1.0523	0.9884	0.908	0.4252	0.7548	0.6491	1.387	1.6314	0.2569	1.1614	1.9502	1.0129	0.4585	0.7033	1.0527	2.0003	1.5646	0.7099	0.7927	0.9976	0.8781	1.0024
14-HDoHE/17-HDoHE	2.0509	2.3614	0.6373	2.2906	0.7096	1.0283	0.4397	1.1397	1.8001	3.4598	0.6943	2.4795	1.2981	0.9717	0.5821	0.9479	1.4579	1.9951	0.6359	0.4503	0.1412	0.6092	1.7181	0.7969
16-hydroxypalmitate	0.961	0.9845	0.6466	0.51	1.0796	0.7316	0.9669	1.0497	1.4776	1.4363	0.5782	0.7613	1.7447	0.892	1.263	1.0048	0.8311	1.4252	1.2605	0.9952	0.9749	1.9501	1.0953	1.0794
1-arachidonoyl-GPC (20:4)	1.3828	1.0331	0.8506	0.7525	1.3763	1.3776	1.3349	0.9986	0.9461	1.1844	1.3438	1.0788	0.8872	0.8908	0.9257	1.0014	1.0748	1.0688	0.8631	1.0163	0.9923	0.9208	0.8963	0.9885
1-arachidonoyl-GPE (20:4n6)	2.1555	1.6896	0.7586	0.8783	1.5615	1.2908	1.7693	1.0318	1.122	1.0604	1.0479	1.0726	0.941	0.6385	0.7716	1.3051	0.9473	1.029	0.726	0.6032	0.6814	0.798	0.7823	0.971
1-arachidonoyl-GPI (20:4)	1.7068	1.2045	0.6579	0.3448	1.7495	1.2146	2.4576	0.6692	1.038	1.2376	1.4459	0.6677	0.962	0.4699	0.7866	0.6292	0.7349	1.0738	1.3502	1.1692	1.8051	0.4945	0.4611	0.4977
1-arachidonylglycerol (20:4)	0.5022	0.9576	1.1223	0.1952	1.8768	0.7662	1.1679	0.7549	0.6605	4.0834	1.0281	0.4576	0.9719	0.6633	1.7392	1.3935	1.0892	1.4868	2.0294	2.2868	1.2161	0.3734	0.3929	0.9579
1-carboxyethylisoleucine	0.4081	1.4374	1.1574	1.095	0.3562	0.8917	0.1149	2.0985	1.3659	2.8131	1.3266	0.5098	1.8503	3.0565	0.4391	0.5196	1.8258	2.8206	0.5009	0.2819	0.174	0.8695	1.7319	0.905
1-carboxyethylleucine	0.2961	1.2511	0.6868	0.8435	0.3468	1.0342	0.1875	2.5726	1.4201	2.9834	1.6452	0.6713	1.7633	3.2702	0.6387	0.6594	1.8232	2.7253	0.5427	0.2863	0.2265	1.3256	2.0182	0.9658
1-carboxyethylphenylalanine	0.3674	1.0896	0.7345	0.6806	0.3509	1.5379	0.119	2.4615	1.3453	2.7245	2.369	0.9104	2.3323	5.7806	0.534	0.367	1.4523	2.1779	0.6341	0.2867	0.2302	2.3015	2.5755	0.8942
1-carboxyethyltyrosine	0.558	0.9293	0.8284	0.4263	0.2396	1.2095	0.2396	1.8513	0.9409	2.4681	2.1664	0.7798	3.4257	6.171	0.4017	0.2396	1.0591	2.4705	0.6476	0.2396	0.2396	2.4286	2.4786	0.7378
1-carboxyethylvaline	0.4288	1.4792	1.3543	1.0879	0.4031	0.8651	0.1527	2.1811	1.4086	2.412	1.2431	0.8075	2.2061	2.7055	0.5574	0.4668	1.819	3.7588	0.8143	0.3814	0.277	0.9121	1.9641	0.8734
1-dihomo-linolenylglycerol (20:3)	0.5921	1.3497	0.748	0.1607	1.5357	1.1607	0.901	1.1885	0.7644	2.3209	1.3656	0.6821	1.0268	0.79	1.1234	1.0911	0.8342	1.1527	1.0717	1.0811	0.9732	0.595	0.2582	0.81
1-docosahexaenoylglycerol (22:6)	0.5115	1.3116	0.5761	0.1399	1.2609	1.1309	0.9708	1.0426	1.032	1.7265	1.7996	0.6488	0.5234	0.4956	0.9027	1.0404	0.7021	1.269	1.1485	1.0292	1.3548	0.3941	0.6749	0.491
1-eicosapentaenoylglycerol (20:5)	0.4647	1.6676	0.3618	0.3618	1.4998	1.2692	0.3618	0.6655	1.2648	1.9311	1.0622	0.4959	1.1165	0.6248	0.8247	1.2737	0.5485	0.6956	1.9091	1.0619	1.0198	0.8592	0.6468	0.9802
1-lignoceroyl-GPC (24:0)	0.7476	1.1714	1.0215	0.6574	1.2429	0.9924	1.6746	1.4362	1.4702	1.1169	1.0076	0.6724	0.7165	0.8871	0.9514	1.4099	0.9136	1.0602	0.5952	0.577	0.595	0.9327	1.2953	1.5521
1-linolenoylglycerol (18:3)	1.0907	2.3834	0.4528	0.2515	1.7512	1.6337	0.4942	0.8304	1.0633	1.8977	1.6656	0.5633	1.004	0.996	0.898	1.1471	0.7137	1.1384	1.7839	0.6811	1.3628	0.5498	0.9577	0.908
1-linolenoyl-GPC (18:3)	1.1666	1.3731	0.6956	0.5685	1.1522	1.223	1.3336	1.1053	1.1102	1.0008	0.953	0.8322	1.1985	0.9398	0.9115	0.9638	1.0166	0.9434	0.7343	0.5527	0.7155	1.3078	1.1545	0.9992
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)	0.9349	1.146	1.065	0.6767	1.0426	0.9874	1.6122	1.1651	1.1125	0.8253	0.9927	0.7919	1.0624	1.0749	0.9576	1.0383	0.9559	0.9254	0.5513	0.6306	0.8032	1.0073	1.0547	1.2309
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)	0.6158	1.6258	2.0837	1.0463	1.0056	0.7992	2.0776	1.9532	1.7788	0.9944	0.7131	0.5527	0.9179	0.9473	0.7394	1.6066	1.1266	1.3492	0.4391	0.3877	0.4167	0.9665	1.4359	1.9508
1-linoleoylglycerol (18:2)	0.8494	1.6313	0.9827	0.1574	2.7578	1.2739	0.5224	1.3583	0.8886	3.4082	1.2579	0.4823	0.597	1.0173	1.9835	1.9534	0.9075	0.8094	1.9238	1.3857	0.8506	0.5829	0.5702	1.2776
1-linoleoyl-GPC (18:2)	1.2271	1.1191	0.6905	0.8273	1.1904	1.2015	1.2869	1.0573	1.055	0.8724	1.0149	0.9021	1.0601	0.9553	0.8691	0.9356	0.9395	1.0594	0.8103	0.7717	0.8498	1.1286	0.9851	1.1486
1-linoleoyl-GPE (18:2)	2.1028	2.504	0.755	0.6791	1.7863	1.3328	1.5096	1.1795	1.2594	0.9928	0.9357	0.977	1.6274	0.8976	1.0052	1.191	0.9426	0.9948	0.9449	0.6528	0.7777	1.576	0.9561	1.4363
1-linoleoyl-GPG (18:2)	1.2755	2.4041	0.4454	0.4688	1.1614	0.9825	0.7985	0.9114	1.3305	1.1845	0.8847	0.7622	1.0217	0.4953	0.7683	1.009	1.004	1.5204	1.0725	0.5599	0.7893	1.0652	0.996	1.2069
1-linoleoyl-GPI (18:2)	1.3064	2.0411	0.6905	0.3846	1.6028	1.1632	1.8296	0.7878	1.203	0.8207	1.0406	0.6775	1.7272	0.8971	0.8786	0.7033	0.8738	0.867	2.1519	1.3365	2.1949	1.4875	0.926	0.9594
1-methyl-4-imidazoleacetate	1.016	0.6316	1.1861	0.3682	1.0523	1.2029	0.4602	1.0103	1.7505	1.3807	0.947	0.7066	2.2794	1.1786	0.9897	0.4485	1.1267	1.1809	1.0572	0.7275	0.6342	0.7671	0.7396	0.6801
1-methylguanidine	0.8341	1.2646	0.2044	0.72	0.3848	0.4088	0.2044	0.485	0.8757	0.2044	0.2044	0.7227	2.7767	1.693	0.2111	0.667	1.8662	1.5229	1.2827	0.2044	1.1243	1.1482	1.8496	1.4149
1-methylhistamine	0.6982	1.1807	0.3754	0.9942	1.0058	0.9821	0.4219	1.1117	1.6649	2.2663	1.65	1.2569	1.1211	1.5166	0.5232	0.612	1.5328	0.937	0.9573	1.0481	0.3662	0.548	1.5418	0.7523
1-methylhistidine	0.97	0.8085	0.513	0.513	0.7632	1.4971	2.4058	1.1857	1.5264	0.9424	1.5443	1.2408	0.7479	0.593	0.7341	1.1973	1.2623	2.1733	0.7436	0.7194	1.7445	0.9228	1.4854	1
1-methylnicotinamide	0.6722	0.7023	1.0415	1.0442	1.3589	0.945	1.0813	0.9402	1.1525	1.5225	1.08	0.6426	2.0741	0.9585	0.8218	1.2049	1.094	1.1965	1.0989	0.6501	0.7321	0.5886	0.6705	0.841
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)	0.7114	1.572	0.8146	0.6746	1.1173	0.9189	1.7399	1.2526	1.3433	0.9595	1.0405	0.6809	1.1391	0.8785	0.7877	1.3822	0.9119	1.0981	0.6344	0.4688	0.5426	1.1217	1.1716	1.1616
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)	1.0113	1.2776	0.9114	0.9479	1.087	1.0477	0.9406	1.3727	1.2544	1.0706	1.05	1.004	0.9435	0.8334	0.7552	0.996	0.9223	0.9086	0.6574	0.8751	0.6133	1.2798	1.1298	1.042
1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)	0.8697	1.2391	1.1215	0.9871	0.7984	0.7815	2.0108	1.2725	1.2599	0.587	1.0632	0.7874	0.7836	0.8294	1.0912	1.354	1.0129	1.203	0.4337	0.4996	0.569	0.746	1.0845	1.0793
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)	1.2857	1.0115	1.031	0.825	1.1922	0.9535	1.3262	1.1211	1.153	0.9151	1.0952	0.8049	0.7669	0.8492	1.1125	1.0963	0.9183	1.0852	0.7107	0.8426	0.9079	0.7291	0.9885	1.0356
1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)	0.4404	1.3141	0.9394	1	0.649	0.56	1.789	1.3094	1.4108	1.06	0.7715	1.6027	0.5929	0.4744	0.8037	1.6288	1.1528	1.2468	0.4404	0.6051	0.8459	1.1887	1.3665	0.9705
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)	0.4199	1.5329	0.8749	0.7592	0.7086	0.5257	1.1915	1.3308	1.1003	0.8759	0.5037	1.1745	1.2401	0.9419	0.902	1.3195	1.2693	1.0581	0.9005	0.5022	0.81	2.5886	1.5086	1.639
1-oleoylglycerol (18:1)	2.6894	3.7866	0.3225	0.4466	0.9561	2.0305	1.0439	0.6957	2.0881	1.0589	2.2789	1.3236	1.3806	0.4571	0.9049	0.581	0.4484	1.3921	1.0639	0.5208	1.7408	0.4445	0.5248	0.4296
1-oleoyl-GPC (18:1)	1.4117	1.282	0.9726	0.8786	1.2693	1.1219	1.2949	1.1308	1.2877	0.9315	1.2008	1.014	0.786	0.8408	0.9988	0.9376	0.7585	0.8658	0.8164	0.8643	0.9719	1.0012	1.0756	1.0642
1-oleoyl-GPE (18:1)	1.3386	1.6202	0.7561	0.6579	1.5096	1.1652	1.5805	1.2495	1.1668	1.133	1.1428	0.9982	0.8729	0.8187	0.923	1.0304	0.918	0.6978	0.7947	0.7082	0.7738	1.3913	0.8361	1.0018
1-oleoyl-GPI (18:1)	1.3582	1.6025	0.6525	0.2743	1.1544	0.9914	3.5523	0.6604	1.0671	0.4587	1.3119	0.9201	1.868	0.67	1.0086	0.4387	0.7335	0.6942	2.3129	1.9864	4.3204	1.5494	0.9454	0.7623
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)	0.6789	1.7756	1.4448	0.8675	0.9006	0.8259	1.4065	1.6151	1.5506	0.782	0.638	0.5243	0.6869	0.8038	1.0994	1.8653	1.1529	1.4418	0.57	0.4746	0.4616	1.1265	1.7647	1.5803
1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)	0.861	1.2835	1.2918	1.0458	0.9278	0.8144	1.1566	1.2493	1.2281	0.7825	0.7799	0.7533	0.8169	0.7843	0.9542	1.3068	1.07	1.2108	0.797	0.7413	0.8162	1.0724	1.1653	1.121
1-palmitoleoylglycerol (16:1)	1.234	3.0626	0.6037	0.2582	1.1676	1.0897	0.3898	0.7753	1.1691	1.6416	1.2842	0.6579	0.8653	0.7494	1.3312	1.2672	0.5566	0.9103	1.4262	0.8068	1.216	0.5868	1.184	0.8292
1-palmitoleoyl-GPC (16:1)	1.1075	1.5842	1.0644	0.8466	0.9472	0.861	1.278	1.2474	1.4239	0.9078	1.0098	0.962	0.9491	0.9902	0.8531	1.2332	1.0792	0.9823	0.6923	0.7143	0.726	1.1611	1.1864	1.0383
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)	0.8802	1.0645	0.8547	0.8861	1.0813	1.0674	1.359	1.1361	1.1426	1.0336	1.0396	0.8633	0.9136	0.8991	0.9216	1.0916	1.0063	1.0927	0.8645	0.9355	0.9089	0.7869	0.9937	1.024
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)	0.4563	1.1978	0.9038	0.7905	0.8705	0.7525	1.7346	1.366	1.2585	1.092	0.7658	1.1298	0.908	0.6812	0.7942	1.7631	1.1929	1.1258	0.7424	0.6031	0.7843	1.6852	1.6428	1.7394
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)	0.9543	1.3987	1.0559	0.9659	1.2534	1.0566	1.7449	1.3126	1.4103	0.9346	0.9619	0.8369	1.0132	0.8732	0.8336	1.4527	0.9868	1.28	0.8382	0.6702	0.7556	0.6776	1.3938	1.2785
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)	0.8723	0.994	1.0476	0.9008	1.1885	1.0544	1.4206	1.2984	1.3308	1.0212	1.006	0.827	0.7379	0.7733	0.9224	1.2175	0.946	1.149	0.7996	0.8122	0.8604	0.645	1.0853	1.0348
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)	0.4226	1.103	0.8752	0.7999	0.7288	0.79	1.8445	1.2032	1.592	1.2349	0.8275	0.9912	0.6655	0.4716	0.7804	1.7754	1.0726	1.3194	0.5787	0.5894	1.0088	1.1265	1.6346	1.2672
1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)	0.7412	1.3337	0.8589	0.7969	0.8068	0.9909	1.0758	1.0091	1.1338	0.913	0.7098	0.5679	1.3839	1.144	0.947	1.267	1.0565	1.0947	0.9051	0.7431	0.8564	1.2798	1.9951	1.2245
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)	0.8532	1.3339	1.0003	0.9278	1.1029	1.0698	1.2201	1.1881	1.1517	0.8899	0.8374	0.7853	1.1061	0.9925	0.8954	1.0739	0.9997	1.0744	0.8762	0.8115	0.8571	0.9597	1.2374	1.2603
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)	0.429	1.5611	0.9849	0.7343	0.7236	0.6447	1.2415	1.2342	1.1727	0.9183	0.4745	0.8177	1.2699	0.8977	0.8979	1.5974	1.1644	1.2534	1.0151	0.5617	0.8135	2.1325	1.7179	1.7582
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)	0.6056	1.2763	0.8501	0.617	1.0413	0.9369	1.1639	1.3645	1.0999	0.7811	0.7719	0.6341	1.1003	1.1002	0.7901	1.1493	0.9669	1.0359	0.9731	0.6584	0.5795	1.0269	1.336	1.3823
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)	1.1539	1.4485	1.0878	1.0177	0.9674	1.0642	1.456	1.4274	1.4548	0.8525	1.0222	0.9574	0.865	0.8435	0.915	1.0831	0.9544	1.0579	0.8219	0.8501	0.889	0.7224	1.2448	0.9823
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)	0.4893	1.6529	0.9824	1.1176	0.776	0.5077	1.1382	2.0525	1.0946	0.8316	0.6677	2.4791	0.9545	0.8925	0.9071	1.1603	2.2428	0.9212	1.0176	0.5814	0.5437	1.8896	1.414	1.242
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)	0.5071	2.0242	0.9431	0.5268	1.2978	0.7842	0.9492	1.797	1.4865	0.8805	0.5691	0.6542	1.4985	1.574	0.9956	1.1063	1.0044	0.9166	1.1676	0.7019	0.5605	1.4172	1.5088	1.8968
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)	0.9149	1.7732	1.3043	1.1824	0.86	0.8432	1.1234	1.4332	1.7475	0.8498	0.9661	0.8279	1.0218	0.9272	0.9782	1.3375	0.952	1.0318	0.7719	0.8815	0.9012	1.1001	1.5699	1.202
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)	1.153	1.281	0.8214	0.8551	1.5211	1.5813	1.1354	1.2068	1.1097	1.0116	1.2384	1.4342	1.08	1.0353	0.8134	0.9202	0.8148	0.8531	0.7715	0.7151	0.8583	0.8096	0.9563	0.9884
1-palmitoylglycerol (16:0)	0.7649	1.4171	0.1626	0.2551	1.8212	0.7215	0.6491	3.441	3.4188	1.6402	1.7097	0.5931	2.7805	0.7822	0.6068	0.4609	0.7005	1	1.7894	1.7021	1.2998	0.6552	0.1626	1.5655
1-palmitoyl-GPC (16:0)	0.9974	1.1804	0.8022	0.8136	1.1374	1.0788	1.3583	1.061	1.1899	1.0433	1.0355	0.6985	0.8816	0.9401	0.8485	1.0254	0.7096	1.0198	0.6973	0.7698	0.8288	0.8083	1.0516	1.0026
1-palmitoyl-GPE (16:0)	1.1289	1.1511	0.8101	0.6045	1.6059	1.0478	1.7793	1.2231	1.4672	1.0173	1.0242	0.9827	0.8541	0.7571	0.9461	0.8611	0.9248	0.9605	0.9614	0.8211	0.8432	1.1156	1.226	1.1533
1-palmitoyl-GPG (16:0)	0.5248	2.3083	0.4264	0.4264	0.8476	0.9824	0.4725	0.4264	1.3635	0.4264	0.8395	1.0176	1.4263	1.1385	0.4264	0.4264	1.152	1.406	0.8734	0.4264	0.9024	1.3323	1.0537	0.7897
1-palmitoyl-GPI (16:0)	1.0455	1.2486	0.5949	0.2512	1.9127	1.0101	4.7967	0.4984	1.3387	0.6559	1.1819	0.5617	1.3168	0.4369	0.9899	0.4799	0.5162	0.6017	3.4187	2.2819	5.2663	1.4935	0.9448	0.6379
1-pentadecanoylglycerol (15:0)	0.8938	1.9286	0.521	0.521	1.7009	0.5657	0.521	1.3125	0.6797	7.1657	0.6476	0.521	1.044	0.87	1.8219	1	1.0155	0.7303	1.1801	0.521	0.521	0.521	0.521	0.8789
1-ribosyl-imidazoleacetate	0.7655	1.4174	0.6959	0.6386	0.663	0.6623	0.3409	0.9857	1.2416	0.6825	0.6891	0.6771	2.8313	2.7403	0.7049	1.1495	1.7346	1.3724	1.1337	0.6472	1.0143	2.2261	3.8641	3.0069
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)	1.1612	0.8602	0.8691	0.7612	1.2579	1.2801	1.1992	1.0106	0.9854	1.1278	1.0998	0.9333	0.8192	0.8816	1.003	1.0755	1.0378	1.1396	0.9351	0.997	0.9814	0.7721	0.9783	1.0188
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)	0.5775	1.0634	0.8102	0.6548	1.0307	0.9214	1.789	1.2857	1.1786	1.1734	0.8266	0.8848	0.9127	0.7529	0.8817	1.6373	1.301	1.2967	0.8636	0.6975	0.9693	1.2291	1.2576	1.4736
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)	1.1587	0.9982	1.0018	0.8368	1.4853	1.3991	1.7888	1.2481	1.3969	1.2341	1.3126	0.9899	0.8591	0.9233	0.9924	1.2314	1.135	1.2248	0.8164	0.6599	0.6882	0.5401	0.8055	0.9761
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)	1.1928	0.8532	0.8826	0.8076	1.2356	1.259	1.3147	1.0466	1.084	1.18	1.1747	0.9765	0.8565	0.845	1.0259	1.0845	1.0121	1.078	0.855	0.9052	0.9708	0.6577	0.9879	0.9604
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)	0.4588	1.0677	0.9916	0.5537	0.6947	0.7478	1.303	1.3143	1.1126	1.3643	0.8322	0.9369	0.8399	0.5808	0.818	1.6081	1.3064	1.1905	0.8484	0.5107	1.1276	1.0084	1.2477	1.1829
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)	1.1295	1.1377	0.7928	0.7696	1.0871	1.2073	1.1239	1.0455	1.0655	0.8995	0.9946	0.8966	1.1773	1.0699	0.9345	0.983	1.0027	0.9857	0.8983	0.7315	0.997	0.9973	1.1126	1.1773
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)	0.4759	1.4355	0.6845	0.5331	0.975	0.8312	0.9885	1.2911	1.0444	0.9552	0.5397	0.7305	1.5563	0.9975	1.0286	1.3201	1.2003	1.0025	1.0481	0.5764	0.92	2.1296	1.455	1.596
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)	0.8251	1.3718	0.7807	0.6748	1.151	0.9822	1.0226	1.2168	1.0859	0.7045	0.7753	0.7133	1.3189	1.1991	0.929	1.0651	1.0002	0.9821	0.9998	0.5882	0.6385	1.3477	1.3227	1.7082
1-stearoyl-2-oleoyl-GPC (18:0/18:1)	1.4416	1.2547	0.8578	0.6751	1.2532	1.2468	1.3296	1.073	1.1977	1.0027	1.0806	0.8696	1.0563	0.9637	0.9057	0.9973	0.7705	0.848	0.8474	0.8169	0.8323	0.8933	1.1023	1.0388
1-stearoyl-2-oleoyl-GPE (18:0/18:1)	0.5479	1.6834	0.6663	0.553	0.886	0.7363	0.8039	1.4318	0.9687	0.7996	0.6069	1.1645	1.4735	1.0414	0.8434	1.0313	1.1691	1.0329	1.131	0.5648	0.7938	2.3029	1.2411	1.3887
1-stearoyl-GPC (18:0)	1.2841	1.0328	0.7136	0.7852	1.4416	1.4386	1.3495	0.9925	1.1509	1.1833	1.1594	0.9912	0.8809	0.8709	0.9224	1.0851	0.9287	0.7961	0.8609	0.8561	0.9817	1.0075	1.047	1.1589
1-stearoyl-GPE (18:0)	1.2565	1.0849	0.7164	0.5516	1.7036	1.5428	1.6126	0.8778	1.1122	1.2306	1.2652	0.7959	0.8639	0.6618	0.8104	1.079	0.7257	0.6713	0.9406	0.7982	0.8414	1.1542	1.085	1.0594
1-stearoyl-GPI (18:0)	1.4203	0.9019	0.5344	0.2121	1.8314	1.3982	5.5691	0.539	1.171	0.826	1.7308	0.6134	1.2757	0.3385	1.2162	0.4897	0.5248	0.5695	2.8944	2.0323	5.6778	1.0981	0.7596	0.4917
2,3-dihydroxyisovalerate	1.2629	3.6462	0.4247	2.5025	0.5282	0.4949	1.7525	2.2406	1.7699	1.0393	0.2982	0.9607	0.528	0.5739	0.2495	0.9516	1.8576	1.604	0.4448	0.4178	0.5361	1.5058	1.1615	1.3709
2,8-quinolinediol sulfate	0.1	0.1	0.2192	0.7808	1.0664	1.4786	0.1	1.5099	1.5607	0.9619	0.6313	1.0381	0.1	0.1	0.1	0.1	0.1	0.1	0.1	0.1	0.1	0.1	0.1	0.1
2-aminoadipate	0.4341	0.7106	1.0314	0.4291	1.3403	1.1514	0.5868	1.7828	1.0815	2.242	1.0287	0.7099	0.3834	1.4282	0.9713	1.139	1.2799	0.7624	1.1635	0.6564	0.5959	0.787	0.6611	1.0846
2-aminobutyrate	0.9784	0.9404	0.7237	0.596	1.62	1.4091	0.9827	0.9118	0.8389	2.0124	1.3216	0.7706	1.129	1.4106	1.6713	0.9222	1.4173	1.2081	1.2838	0.9486	0.9222	1.0235	0.8683	1.0173
2-aminoheptanoate	1.1777	1	0.6708	0.5719	1.2092	1.24	0.5719	0.7419	1.4777	1.1319	0.8181	0.7743	1.5343	1.0859	0.7365	0.8456	0.8853	0.8255	1.0454	0.8545	1.6413	1.1329	0.9639	1.1788
2-aminooctanoate	1.1973	1.1752	0.9035	0.5603	0.9293	0.7423	1.4259	1.6381	1.6795	1.2598	0.7535	0.8703	0.6993	1.0628	0.9372	0.8334	2.1654	2.0749	0.8982	0.649	0.7986	2.8324	1.376	2.1482
2-amino-p-cresol sulfate	1.5481	5.0234	0.7273	1.2727	0.2804	0.0961	1.8343	0.0961	1.6249	0.5607	0.0961	0.5221	0.0961	0.0961	0.0961	0.0961	0.0961	0.0961	0.0961	0.0961	0.0961	0.0961	0.0961	0.0961
2-aminophenol sulfate	16.4636	12.4577	2.0837	4.1308	5.3821	4.5485	1	11.3035	8.9882	2.2151	1.2827	4.2099	0.2514	0.3146	0.1008	0.0893	0.303	0.4786	0.1668	0.0893	0.1446	0.8571	0.2913	0.4156
2-butenoylglycine	0.7708	0.4488	1.0777	1.5214	0.8523	0.8807	0.5762	1.134	1.5539	2.3211	0.4541	0.5073	0.7861	1.23	1.8314	1.7543	4.6978	2.8305	1.242	0.8398	0.6337	0.4065	0.9223	1.3236
2'-deoxycytidine	0.7326	0.8458	0.7958	0.5198	1.4217	1.1238	1.2117	1.3664	1.3532	0.9489	1.1339	0.8772	1.0801	0.9448	0.8677	0.8406	1.0022	1.272	1.2545	1.1764	0.8809	1.5496	0.9978	0.8415
2'-deoxyuridine	1.3266	0.7797	0.7856	0.5133	2.2378	2.0725	0.9328	1.3547	1.1036	1.1024	1.0862	0.9283	0.5334	0.849	1.1393	0.7572	0.5658	0.7877	1.4471	1.1675	0.9465	1.2199	0.9752	1.0248
2-hydroxy-3-methylvalerate	0.5816	1.6203	2.0468	1.1493	0.8507	0.7958	2.9103	3.2975	2.7379	0.6712	0.32	0.4351	0.5828	0.5581	0.5196	2.7374	3.8359	3.0612	0.7196	0.3634	0.3857	1.5388	1.6703	2.372
2-hydroxyadipate	0.993	0.9192	1.3176	1.1054	1.3549	1.5614	0.5709	1.1748	1.2528	3.3216	0.9206	0.6802	0.6689	1.007	0.7316	0.5298	1.2424	1.5114	0.6068	0.325	0.4588	0.8374	1.1039	1.2971
2-hydroxybutyrate/2-hydroxyisobutyrate	0.4556	0.7887	1.6164	0.4825	0.8075	0.7222	0.5256	1.2485	0.9981	1.8553	0.7586	0.5225	1.3538	1.348	1.2305	0.9415	1.2039	2.3922	1.0019	0.6107	0.8008	1.2387	1.144	1.0044
2-hydroxydecanoate	0.882	1.3156	0.5955	0.4566	1.3919	1.0129	1.1895	1.1226	1.3305	1.3613	0.782	0.8288	1.5877	0.9125	0.8443	0.6756	0.9825	1.6093	0.9871	0.9463	0.8548	2.8062	1.1846	1.3403
2-hydroxyglutarate	0.8709	0.7771	0.6542	0.7568	0.9469	1.1505	0.7716	0.7551	0.8622	1.6914	0.9427	0.6709	0.9273	1.3675	1.2725	0.9339	1.1334	1.2106	1.3585	1.2726	1.1119	1.2042	1.0531	1.0972
2-hydroxyhippurate (salicylurate)	2.3183	2.8571	0.3498	1.7506	0.4585	0.8507	0.0997	0.6979	1.1198	0.1933	0.1037	0.7991	1.5149	1.351	0.3716	0.2093	1.2515	1.0133	1.1834	0.0997	0.3922	1	1.9661	2.1286
2-hydroxyoctanoate	0.787	0.8809	0.5569	0.4074	0.9235	1.1416	0.6589	1.4836	1.1902	0.9916	0.9469	0.7463	1.5355	1.522	1.0022	0.7239	1.0648	1.2575	1.1745	0.9018	0.9978	3.4234	1.3736	1.3234
2-hydroxyoleate	0.7183	1.3386	0.8221	0.5372	1.0692	0.9564	1.4134	1.2391	1.7912	2.2714	1.0076	0.7105	0.736	0.5955	1.0811	1.2312	2.0493	1.5751	1.3309	0.7571	0.7534	0.9458	0.9857	0.9924
2-hydroxypalmitate	0.8823	1.1122	0.507	0.6328	1.4573	0.9995	1.0005	0.9605	1.1962	1.7347	1.082	0.8567	0.8671	0.7656	0.8237	0.6564	1.1811	1.428	1.4484	1.0759	1.1899	1.0387	0.6421	0.619
2-hydroxystearate	0.8489	0.8442	0.4671	0.34	1.3634	1.0896	1.4067	0.7278	1.0406	1.4163	1.3056	0.6732	0.7724	0.6052	1.0119	0.7477	1.0664	0.9881	1.7253	1.278	1.9411	1.1377	0.584	0.6064
2-keto-3-deoxy-gluconate	1.1536	1.2079	0.1844	0.1844	1.8984	0.6261	0.8485	0.8931	0.6363	0.7667	0.7229	0.7842	1.4009	1.446	0.8449	0.6242	1	4.1009	1.1741	3.9519	1.1411	4.131	1.8364	0.9059
2-linoleoylglycerol (18:2)	0.9126	2.1951	0.8002	0.8159	2.0356	1.4872	0.5362	1.0477	1.0485	2.7881	1.3869	0.6257	0.7307	0.8688	1.3833	1.4317	0.6787	0.9882	1.3275	1.0118	1.0889	0.4604	0.7436	0.935
2-methylbutyrylcarnitine (C5)	0.7726	0.7743	0.452	0.378	1.329	1.2126	0.3253	0.941	0.5504	1.9474	0.7357	0.3953	1.517	1.9054	1.4049	0.6918	1.298	1.8088	1.2048	0.967	0.8989	1.9549	1.4018	1.033
2-methylbutyrylglycine (C5)	0.4389	1.1539	0.6749	2.0791	0.5835	0.7623	0.2898	1.6002	1.4356	2.4776	0.4874	0.6304	1.1596	2.1415	1.0257	0.9743	3.7749	3.3819	0.7685	0.5436	0.491	0.7561	3.1555	3.6272
2-methylcitrate/homocitrate	0.9744	1.0256	0.6004	0.6568	0.7164	0.9374	0.7578	0.9555	1.0585	1.1368	0.7536	0.7716	0.8227	1.2681	1.1392	1.0258	1.5999	1.4013	0.7939	0.8495	1.1387	1.0605	1.0788	1.1736
2-naphthol sulfate	1.224	0.5945	0.5945	0.5945	0.6774	0.5945	0.5945	0.5945	0.5945	0.5945	0.5945	0.6052	0.931	1.069	1.5636	0.5945	2.5722	0.5945	0.7897	0.5945	7.3795	0.5945	0.818	1.4844
2-oleoylglycerol (18:1)	1.5097	2.8838	0.2232	1.1478	0.8748	1.6633	1.0688	0.9678	1.4	1.0322	1.7247	1.0955	1.1321	0.5881	0.4863	0.7943	0.6262	1.3463	0.6066	0.4721	1.1846	0.677	0.2682	0.4326
2'-O-methylcytidine	0.9064	0.9699	0.852	0.7414	1.4371	1.6976	0.8027	1.074	1.1513	1.2999	1.5147	1.076	0.7323	1.0301	0.7143	0.9276	1.3168	1.4417	0.9495	0.7823	0.7834	1.3055	1.5121	0.9174
2'-O-methyluridine	0.8773	1.3326	0.4961	0.5947	2.3494	2.0628	0.4618	1.2564	1.245	1.6852	1.1488	1.041	0.7856	0.8596	0.6516	0.6664	1.0785	1.0867	0.959	0.5328	0.5868	1.239	1.1083	0.806
2-oxindole-3-acetate	3.7207	8.3984	0.3095	1.1123	1	1.6518	0.595	0.2944	0.9415	0.1687	1.012	0.8264	1.5457	0.6764	0.1687	0.6832	2.2179	1.6147	0.9068	0.2945	1.1871	0.9345	2.3209	1.4272
2-oxoadipate	1.0257	1.4179	2.0112	0.9743	1.6427	1.9283	0.5317	1.2275	1.6222	1.4487	1.3737	0.9011	1.2608	1.5003	0.6033	0.5428	0.5477	1.7335	0.7113	0.4058	0.5146	0.5355	0.7658	0.6164
2-oxoarginine	0.7587	1.2422	0.713	0.8218	0.7106	0.7279	0.4025	1.0098	1.0327	0.8113	0.7176	0.71	1.3501	1.4889	0.7772	1.0576	1.477	1.2671	0.9902	0.7813	1.0508	1.3589	1.838	1.532
2-palmitoleoyl-GPC (16:1)	0.9569	2.6932	1.0431	1.2284	0.6206	1.1966	1.5235	1.315	2.3629	0.4336	1.7145	0.8603	0.9417	0.5366	0.864	0.8814	0.9005	1.1423	0.8232	0.8238	1.1224	1.2412	1.3376	0.5827
2-palmitoyl-GPC (16:0)	1.0045	1.9034	0.6524	0.6539	1.142	1.2817	1.3693	1.043	1.4801	1.3365	1.477	0.8628	0.8575	0.698	0.739	0.8626	0.8588	0.9955	1.1673	0.9606	1.1857	0.7422	1.1033	0.8088
2-stearoyl-GPE (18:0)	0.6955	1.577	0.9209	0.2852	2.1109	0.6524	0.5197	1.1329	0.8927	2.5841	0.701	0.5727	0.494	0.634	1.133	1.8701	1.2926	0.4441	1.713	1.3041	0.8026	1.0791	1.2438	1.3133
3-(3-hydroxyphenyl)propionate	0.7715	1.1811	0.4401	0.8962	0.4766	0.4401	1.0066	1.92	2.0066	1	2.2121	0.7643	0.4401	0.4401	0.4401	0.4401	0.4401	0.4401	0.4401	0.4401	0.4401	0.4401	0.4401	0.4401
3-(3-hydroxyphenyl)propionate sulfate	0.6192	0.8373	1.6103	4.1094	0.2957	0.1195	1	4.2819	5.0013	3.1384	3.9089	0.5272	0.0163	0.0163	0.0163	0.0163	0.0163	0.0163	0.0163	0.0163	0.0163	0.0163	0.0163	0.0163
3-(4-hydroxyphenyl)lactate (HPLA)	0.8517	0.8352	1.4626	0.4998	1.0397	1.2223	0.5948	1.8819	1.1178	1.4088	0.9321	0.6408	2.2164	2.0727	1.0155	0.7437	0.9845	1.8222	0.875	0.6546	0.8103	1.6663	1.2717	0.9835
3-(4-hydroxyphenyl)propionate	0.2722	0.3473	0.6928	1.3545	0.3873	0.2722	1	2.1152	1.9395	1.515	2.225	0.3278	0.2722	0.2722	0.2722	0.2722	0.2722	0.2722	0.2722	0.2722	0.2722	0.2722	0.2722	0.2722
3,4-dihydroxyphenylacetate sulfate	0.5901	1.2824	1.1735	1.2372	0.9178	1.1786	0.5621	0.6188	0.8244	1.55	1.0342	0.5621	2.7523	3.0619	0.5621	0.5621	0.9375	1	1.0473	0.7684	0.5621	0.7058	0.5621	0.8004
3-acetylphenol sulfate	0.53	0.9531	3.099	6.9884	0.1206	0.1291	0.4272	3.8826	3.9988	1.6342	2.2394	0.7192	0.1206	1.4084	0.2768	0.2296	1.0469	0.1206	0.1206	0.1206	0.1206	0.1206	0.1206	0.1206
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)	0.9815	0.2952	0.2278	0.087	2.6281	2.7808	0.4033	0.6115	0.3905	1.2325	2.1022	1.034	1.2493	1.3673	1.3767	0.3917	0.4702	0.4429	1.6594	1.6181	1.4488	1.0185	0.4381	0.5125
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)	0.9258	0.9979	0.6532	0.2554	1.0878	1.3057	0.7304	1.4642	0.9391	0.7578	1.0021	1.0181	1.1301	1.1797	0.5482	0.6654	0.705	0.7311	1.3018	1.028	0.9702	1.1667	1.1421	1.4618
3-hydroxy-2-ethylpropionate	0.9792	0.9237	1.3377	0.8417	0.9031	1.1607	1.6039	1.7412	1.3462	0.9129	0.8855	0.8064	0.7742	0.9886	1.0987	1.2885	1.198	1.9316	1.1701	0.7549	0.9713	0.9744	1.0114	1.1418
3-hydroxy-3-methylglutarate	0.7977	0.6549	0.6918	0.6052	0.8957	1.0692	0.5588	0.9593	1.1137	1.7591	0.6567	0.5156	0.9337	1.1988	1.308	1.0407	1.8297	2.5191	1.0801	0.8139	0.6941	1.2922	1.3553	1.1668
3-hydroxyadipate	0.8075	0.5671	1.2392	0.7277	0.7608	0.9602	0.4446	0.5408	1.7488	5.7095	0.514	0.591	1.271	1.1223	2.5739	1.6214	4.9802	1.2839	1.6735	0.6621	0.453	0.292	1.0398	1.495
3-hydroxybutyrate (BHBA)	0.8378	0.2784	1.4471	0.4224	1.2324	0.739	0.6779	0.7146	0.9311	1.817	0.6162	0.6001	1.532	1.3497	2.3188	1.0689	1.3859	1.9083	1.9727	1.1942	1.6113	0.435	0.5033	0.5737
3-hydroxybutyroylglycine	0.5439	0.1804	0.9943	1.2971	0.8622	1	0.5178	1.4485	1.5828	4.5591	0.7952	0.4475	0.4446	1.5913	2.0104	2.9163	7.1887	2.9281	1.5815	0.7319	0.4596	0.1804	0.4666	1.2117
3-hydroxybutyrylcarnitine (1)	0.4931	0.3096	0.9873	0.528	1.0127	1.2502	0.4516	1.6221	1.2099	4.807	1.0758	0.7492	0.7522	1.6094	1.646	1.3528	2.7908	1.8254	1.0803	0.6372	0.4394	0.1934	0.4224	0.5007
3-hydroxybutyrylcarnitine (2)	0.6198	0.7443	0.6354	0.7934	0.7354	0.988	0.4428	1.2449	1.1473	2.4796	0.8272	1.1547	1.012	1.9931	1.4587	2.2266	2.1489	2.0042	0.8106	0.6657	0.4702	0.4898	1.7811	1.216
3-hydroxycinnamate sulfate	0.8184	1.1816	0.4706	2.5665	0.4706	0.4706	0.6026	1.8788	1.932	0.4974	2.648	0.5925	0.4706	0.4706	0.4706	0.4706	0.4706	0.4706	0.4706	0.4706	0.4706	0.4706	0.4706	0.4706
3-hydroxydecanoate	0.8759	0.7566	1.0866	0.6296	1.033	0.8819	0.6214	0.8799	1.0756	1.6455	0.3968	0.5526	1.6525	0.9976	1.715	1.281	1.0024	1.7161	1.2003	0.8537	0.6515	0.6969	1.3368	1.2543
3-hydroxyhexanoate	1.3595	0.5817	0.6199	0.4365	1.2009	1.7584	0.3946	0.998	0.8722	2.3943	0.877	0.918	2.0101	1.9685	2.2729	0.9345	1.002	1.33	1.9684	1.1027	1.176	0.8675	0.7677	0.6556
3-hydroxyisobutyrate	0.3737	0.5454	1.2383	0.3222	0.9573	1.2122	0.4619	1.0751	0.8255	1.0427	0.9123	0.4358	1.4015	1.9262	1.3783	0.7174	1.128	2.2824	1.4393	0.6425	1.048	0.9284	1.1152	0.7776
3-hydroxylaurate	0.9782	0.9845	1.3857	0.7301	1.0155	0.6792	0.6938	0.838	1.3711	1.8907	0.3093	0.5692	1.8358	0.8502	1.8629	1.4517	1.0405	1.8527	1.21	0.8271	0.6184	0.6498	1.5324	1.2995
3-hydroxyoctanoate	0.9446	0.6317	0.8382	0.485	1.0304	1.2745	0.5347	1.0419	1.0358	1.7172	0.5687	0.6642	1.7374	1.3731	1.7573	0.9589	1.2292	1.6365	1.4	0.9696	0.7826	0.8414	1.159	0.9514
3-hydroxyoleate	1.0343	1.3943	1.3139	0.6997	0.9131	0.7363	0.8207	0.8498	1.334	2.9783	0.5966	0.73	1.5116	0.8349	1.0975	1.0267	1.0023	1.6765	1.1354	0.747	0.7236	0.8145	1.1457	0.9977
3-hydroxyoleoylcarnitine	1.3232	0.6952	2.0535	0.5823	1.1729	1.1337	0.8961	1.0838	1.5574	2.0285	0.7174	0.8872	1.7177	1.7872	1.5912	0.9162	2.3097	2.9033	0.8116	0.532	0.4316	0.8869	0.6791	0.6658
3-hydroxypalmitoylcarnitine	1.1595	0.8304	2.0998	0.7349	0.91	1.1144	1.0096	1.2237	1.5622	2.1192	0.8162	1.0526	0.9904	1.6351	1.3959	0.9588	2.0046	2.5103	0.8099	0.3858	0.2725	0.8227	0.7455	0.636
3-hydroxypyridine sulfate	1.7168	1.4214	0.7586	0.8577	0.7614	1.0334	0.8378	1.1812	2.0353	0.9666	1.178	1.4055	1.2371	1.8725	0.3681	0.3989	1.3944	0.6343	0.6021	0.182	0.6633	0.9178	1.2606	1.2735
3-hydroxysebacate	0.9144	0.7404	1.6144	0.597	1.0819	0.9356	0.597	0.9132	0.9906	2.3833	0.8438	0.7418	1.5342	1.6154	2.1841	0.597	1.1312	2.407	1.1937	0.7423	0.6405	1.4338	1.0094	0.8309
3-hydroxystearate	1.2148	2.123	0.8061	0.5482	1.0842	0.882	1.0681	0.8879	1.868	2.0846	0.981	1.0497	1.6303	0.9132	0.8653	0.6852	0.9257	0.9706	1.7477	1.019	1.129	0.809	1.4075	0.8618
3-indoxyl sulfate	2.65	1.9947	0.4972	0.403	1.2588	1	1.2001	1.3358	1.2897	2.3579	2.1481	2.3587	0.0024	0.0031	0.0017	0.0017	0.0017	0.0032	0.0017	0.003	0.0017	0.0074	0.0017	0.0025
3-methoxytyrosine	1.667	1.2198	0.3014	0.3014	1.2977	1.5846	0.6392	0.7574	0.5262	0.6468	1.1461	0.737	1.5041	1.0484	1	0.7554	0.5701	1.0668	0.5665	0.7284	1.0294	0.7707	1.0361	1.0726
3-methyl-2-oxobutyrate	0.7495	0.9541	0.8151	0.6561	0.9327	0.9589	0.9094	1.2017	1.1013	0.8702	0.9883	0.8338	1.3389	1.317	1.0128	1.0434	0.9542	1.3546	1.4677	1.0117	1.0365	1.2729	1.1042	0.9724
3-methyl-2-oxovalerate	0.5566	0.8297	0.5097	0.528	1.0744	1.0059	0.7278	1.2314	1.104	1.0486	1.0779	0.74	1.0877	1.166	1.0463	1.0259	0.956	1.3423	1.1824	0.8075	0.7725	0.9646	0.9941	0.867
3-methyladipate	0.4983	0.9383	0.8949	1.2976	0.7585	1.0617	0.8086	1.2475	0.7725	0.9147	0.4711	0.2763	1.1548	1.4126	1.132	0.9034	2.8658	2.08	1.301	0.6205	0.5373	1.5358	1.2935	1.1437
3-methylcrotonylglycine	0.5053	1.0128	0.4589	1.3807	0.5131	0.7306	0.4828	0.9872	1.1342	1.0822	0.4376	0.4004	0.605	1.0536	1.1899	1.3328	2.3266	2.2106	1.0564	0.6233	0.5597	0.7449	1.6161	2.149
3-methylcytidine	0.3828	0.3828	0.3828	0.8877	0.8052	1.1732	1.0202	0.8432	1.299	0.8886	1.1179	0.6099	1.1094	0.7953	1.2003	0.9776	1.4586	1.8371	1.2213	0.9228	0.9798	1.2324	1.135	0.5431
3-methylglutaconate	1.0231	1.0075	0.7161	0.7904	0.8195	0.9048	0.6929	1.4341	1.3168	0.9785	0.7977	0.8393	0.9299	1.2184	1.0843	0.9693	2.3924	1.5735	1.1502	0.8745	0.9925	1.2079	1.6662	1.7252
3-methylglutarate/2-methylglutarate	1.0009	0.9991	0.6043	1.087	0.716	0.8045	0.8817	1.6226	1.3992	4.595	0.6043	0.7887	0.8661	0.6043	1.6356	0.861	4.2223	1.9586	0.9079	0.6043	3.128	0.6043	0.9728	2.2425
3-methylhistidine	0.4018	0.3526	1.1793	0.218	1.194	0.6161	1.1716	1.5642	0.8117	1.041	0.8158	0.4106	0.6445	0.7627	1.5105	1.2768	1.2829	1.0715	1.0248	1.1115	0.7855	0.9752	0.5244	1.1454
3-phenylpropionate (hydrocinnamate)	2.2559	3.0219	0.0342	0.0342	1.7202	0.4663	0.0342	0.0342	0.0342	0.0342	0.0342	1.5337	0.0387	0.0342	0.0342	0.0342	0.0485	0.0342	0.0342	0.0342	0.0342	0.0342	0.0342	0.0342
3-phosphoglycerate	0.2112	0.7409	0.2112	1.4709	0.2112	0.2112	0.2112	1.1578	1.0334	0.2112	0.2112	9.0393	0.2112	0.9666	0.2112	0.2112	2.2692	0.4723	0.2112	0.2112	0.2112	0.2112	0.4992	0.2112
3-ureidopropionate	0.8516	0.8357	0.9578	0.7498	1.2083	1.1653	0.2747	1.1412	0.7684	1.9544	1.0514	0.6801	0.9663	1.4663	1.0798	0.8108	1.5204	1.6848	0.8396	1.0579	1.0419	0.6576	1.0337	0.8278
4-acetamidobutanoate	1.561	0.8666	0.5873	0.5873	0.5873	0.5873	0.7708	0.5873	1.1178	0.5873	0.8418	0.5873	1.7247	0.5873	0.5873	0.5873	0.8822	1.2542	0.5873	0.5873	0.5873	0.5873	1.767	0.5873
4-acetylphenyl sulfate	1.7459	2.5865	1.2643	4.2266	0.2215	0.2215	0.2215	2.4199	2.3566	0.7476	0.9437	0.4682	0.6759	1.4819	0.2215	0.2215	1.5275	0.799	0.2215	0.2215	0.3413	0.9837	0.9318	1.0163
4-cholesten-3-one	1.8706	0.5366	0.4474	0.6262	2.8305	2.6667	0.4899	0.7867	0.8669	1.7723	1.1331	1.2661	1.3036	1.272	1.322	0.7957	0.5466	0.6074	1.3185	1.1623	1.1566	0.537	0.6328	0.6801
4-ethylphenyl sulfate	0.6602	1.0142	0.028	0.028	0.0408	0.028	1	2.2256	2.7186	2.359	4.1641	5.6563	0.0713	1.1896	0.2634	0.119	0.5632	0.028	0.028	0.028	0.028	0.028	0.028	0.028
4-guanidinobutanoate	1.2397	1.9934	0.3804	0.901	0.6689	0.5693	0.2201	0.8069	1.099	0.589	0.2323	0.7237	3.1821	3.455	0.7821	0.6651	1.8005	1.9279	1.2488	0.6668	1.476	2.0539	2.8589	2.3807
4-hydroxybenzoate	0.4896	1.3878	0.2277	1.6506	1.1788	0.7267	0.2277	0.9839	1.0161	0.2277	0.2277	2.3206	0.7774	0.2277	0.2403	0.2277	1.5831	1.1472	1.0468	0.2277	0.3224	0.2277	0.6023	0.2277
4-hydroxychlorothalonil	0.4851	0.4851	0.4851	0.4851	0.4851	0.4851	0.4851	0.4851	0.4851	0.4851	0.4851	0.4851	1.3272	1.0184	1.2276	1.0226	0.9652	1.349	1.0556	0.933	0.9238	0.9816	0.8107	0.4851
4-hydroxycinnamate	0.9817	1.1713	0.2903	1.0873	0.2903	0.6278	0.5161	0.7395	1	0.2903	0.4643	0.2903	3.4369	2.2628	0.2903	0.2903	0.453	1.2494	1.0875	1.3653	0.8973	1.2479	1.3699	0.7761
4-hydroxycinnamate sulfate	1.5502	1.1483	0.6841	3.949	0.1529	0.2341	0.1529	1.0208	1.3135	0.5545	0.7155	0.1884	2.8177	2.2317	0.1529	0.1529	0.5985	1	1.4074	1.1049	0.6872	0.9296	0.9457	1.0833
4-hydroxyhippurate	1.1872	1.3833	0.8826	2.0319	0.5952	0.6197	0.4801	1.5907	1.5213	0.5536	0.562	0.5088	1.1967	1.5842	0.687	0.9813	2.9676	1.6243	1.0187	0.5414	0.9654	0.7725	1.9814	2.1905
4-hydroxyphenylacetate	1.3515	2.0362	0.8061	0.5919	1.3653	1.2089	0.5209	0.5209	0.6547	1.2264	1.7241	0.8188	0.8764	1.1236	0.5209	0.5209	0.5209	0.5209	0.5209	0.5209	0.5209	0.7616	0.5209	0.5209
4-hydroxyphenylpyruvate	0.4573	0.5782	0.8413	0.3891	1.1587	1.4932	0.2184	1.1917	0.7556	1.1904	1.5054	0.3391	1.5829	3.0928	1.4182	0.6025	0.5177	1.3012	0.6626	0.5643	0.4136	1.764	1.2853	1.168
4-imidazoleacetate	0.7701	1.3529	0.5333	1.0341	0.6582	0.6837	0.4485	0.7569	0.9456	1.0683	1.0025	0.9975	1.8896	1.4528	0.6444	0.5714	1.3244	1.0962	1.2365	0.6941	0.8613	1.6013	1.3234	1.133
4-methyl-2-oxopentanoate	0.4903	0.8448	0.5583	0.6079	0.9381	1.0022	0.9086	1.441	1.294	0.8492	1.0979	0.7807	1.0954	1.2263	1.2487	1.2896	1.1217	1.5218	1.3427	0.8996	0.8904	0.9657	1.0834	0.9978
4-methylcatechol sulfate	2.6044	3.1772	0.3911	0.6119	0.5084	0.3352	0.5633	1.5686	1.4266	2.943	1.5139	1.3881	0.0153	0.0675	0.0153	0.0153	0.0153	0.0153	0.0153	0.0153	0.0153	0.0153	0.0153	0.0153
4-vinylguaiacol sulfate	1.0572	2.311	0.3389	0.4868	0.3389	0.3389	0.3389	0.3389	0.3909	0.3389	0.3389	0.3389	2.1152	3.7022	0.5086	0.3585	1.8831	0.7154	0.9486	0.6722	1	1.7247	1.3976	1.8052
4-vinylphenol sulfate	4.3537	3.0743	0.7246	0.5883	1.2655	0.9999	1.0001	1.2089	1.2282	1.4066	0.8728	1.2129	3.9267	2.0159	0.3463	0.415	0.9355	0.304	0.7114	0.5751	1.5888	0.4483	0.7385	1.0195
5,6-dihydrothymine	1.0558	0.2654	1.1766	0.2654	1.0373	0.2654	0.2654	0.6822	1.0077	0.934	0.2654	0.2654	0.8866	1.1024	1.1418	0.5259	0.5369	1.1631	0.9799	1.0662	0.8193	8.8857	0.7667	1
5,6-dihydrouracil	0.3487	0.7637	0.8846	0.3487	1	1.0383	0.6843	1.4101	1.1709	2.305	1.1488	0.3487	0.6273	1.1708	0.6646	0.6757	1.4036	1.9739	0.5724	0.4243	0.3487	1.7544	1.6946	0.698
5,6-dihydrouridine	1.1744	0.9752	0.7751	0.6954	1.3864	1.0328	1.1479	1.2449	1.3276	0.976	0.9141	0.8971	0.5826	0.6005	0.9584	1.3166	1.681	1.0476	0.9683	1.0257	1.024	0.775	0.9614	1.1268
5-dodecenoate (12:1n7)	0.7261	0.929	1.3228	0.8647	0.9153	0.3912	0.8271	0.9963	0.9383	1.8862	0.2346	0.3295	1.1274	1.0037	1.4486	1.8469	1.3963	2.9245	1.3411	1.0127	0.6231	0.5505	1.0602	1.5656
5-dodecenoylcarnitine (C12:1)	1.1175	0.7898	1.1569	0.5578	1.32	0.8905	0.7423	1.0307	1.3433	1.7429	0.3322	0.6963	1.6816	1.7918	2.5805	0.9693	1.6986	2.6839	0.9682	0.7038	0.5728	1.0542	0.8695	0.9111
5-hydroxyhexanoate	0.5379	0.6711	1.1982	0.6186	0.9516	0.5942	0.7629	1.4041	0.9555	1.2478	0.5157	0.5233	0.9803	1.4457	1.2228	1.0197	1.8767	2.0554	1.4953	0.8898	0.797	1.5489	1.4975	1.0257
5-hydroxylysine	0.8862	0.8863	0.233	0.233	1.958	1.4849	0.5833	0.8693	0.6498	0.8836	1.3316	0.8439	1.2454	1.1312	0.652	0.8814	0.692	1.2885	1	1.0748	1.16	1.6187	1.6046	1.4242
5-methyl-2'-deoxycytidine	0.8955	1.1118	1.0016	0.4704	1.6055	1.1874	1.5652	1.0749	1.3355	0.9859	1.3215	0.9984	0.9238	0.6554	0.4704	0.4704	0.4704	0.9682	0.7437	1.1369	0.8694	1.3587	0.8912	0.4704
5-methylcytidine	0.7318	0.7789	0.8896	0.4326	1.5594	1.2343	1.1587	1.1885	1.4513	0.9222	1.1799	0.8008	0.9192	0.8187	1.0727	1.178	0.9059	1.3735	1.0469	0.8408	0.9133	1.266	0.9871	1.0129
5-methylthioadenosine (MTA)	0.5873	1.2757	0.419	0.6086	0.9327	1.2538	0.7419	1.1396	1.4336	1.4488	1.284	1.4535	0.8278	1.2247	0.6702	0.9825	1.7228	1.8645	0.766	0.6247	0.7788	0.7162	1.5889	1.0175
5-methylthioribose	0.9938	1.012	0.4986	0.8113	1.1201	1.2363	0.9864	1.0251	1.2631	0.9886	0.9512	1.0062	0.4977	0.6655	0.7702	1.1511	1.2127	0.9055	1.0798	0.9201	1.3464	0.8704	1.155	1.0576
5-methyluridine (ribothymidine)	1.376	1.0803	0.6705	0.6197	1.8093	1.8098	0.8079	0.9771	0.9752	1.4618	1.0349	0.6982	0.6349	1.1413	0.8614	0.8838	0.8204	1.0443	1.2155	0.7871	0.9099	1.0229	1.6198	1.5253
5-oxoproline	0.7716	2.0319	0.4644	2.7371	0.8649	1.074	0.5711	1.7938	1.5063	1.2118	0.9169	2.337	2.1967	1.3664	0.6659	0.7958	2.716	3.773	1.4062	0.9127	0.6788	0.7678	0.926	0.7955
6-hydroxyindole sulfate	1.8958	2.2503	0.2818	0.2562	0.6518	0.5569	0.8757	0.887	1.1374	1.113	1.1674	1.7091	0.2562	0.2562	0.2562	0.2562	0.2562	0.2562	0.2562	0.2562	0.2562	0.2562	0.2562	0.2562
6-oxopiperidine-2-carboxylate	0.5913	0.9573	1.1755	0.7161	1.5406	1.1648	0.6117	1.0798	0.8903	1.7811	1.0201	0.9678	0.6374	1.2235	0.6002	1.1156	1.0998	1.257	1	0.4404	0.4404	0.9362	0.8924	1.0561
7-HOCA	0.6051	0.5308	0.4129	0.2356	1.3598	1.0399	0.6056	0.5557	0.6941	1.1321	0.9774	0.9921	1.9951	1.5171	1.1847	0.8098	1.0964	1.4535	1.2885	1.0079	0.9667	1.6338	0.8302	1.0364
7-ketodeoxycholate	2.5799	2.1884	0.6579	1.5437	1.9682	0.5693	0.888	1	0.3633	9.7232	7.7431	2.4583	0.0408	0.0408	0.0408	0.0408	0.0408	0.8923	0.0408	0.0408	0.0408	0.2645	0.0408	0.0408
7-methylguanine	1.1231	0.892	0.6928	0.8299	1.1701	1.1792	0.8949	1.0532	1.2016	1.2304	1.0408	0.9096	1.0079	1.0084	0.7617	0.935	1.3934	1.1357	0.9921	0.6418	0.9469	1.0392	0.9177	0.963
9,10-DiHOME	0.7515	0.8354	0.3893	0.4445	1.1081	0.8162	1.0996	1.1488	1.704	1.6657	0.3096	0.5859	2.0399	0.8987	1.1965	1.0085	0.984	2.2783	1.0985	0.7227	0.589	2.9221	0.9915	1.1291
acetylcarnitine (C2)	0.7244	0.6594	0.6257	0.5278	0.9798	0.9583	0.7173	1.0444	1.0268	1.1765	0.7359	0.8935	1.1251	1.3028	1.2311	1.094	1.314	1.2626	1.1316	1.0202	1.1358	0.8392	0.8743	0.8733
acetylphosphate	0.4104	1.4767	0.1844	1.7331	0.1844	0.1844	0.1844	1.3656	0.9956	0.9033	0.9017	1.6271	0.5816	1.3672	0.1844	0.6036	1.591	1.0044	0.2584	0.1844	0.1844	0.1844	1.0196	0.1844
aconitate [cis or trans]	1.0686	1.0063	0.6897	0.6924	1.0572	1.1535	0.738	0.999	1.1141	0.8193	0.9911	0.8514	0.9087	1.0393	1.001	0.8743	1.0947	1.1951	0.9652	0.905	1.1716	1.0053	1.0083	0.9152
adenine	0.5477	1.203	0.5114	0.9236	0.9731	0.682	1.1799	1.0028	1.0705	3.7339	0.9358	1.1241	1.9538	2.0527	0.599	0.9816	2.7478	3.5487	0.986	0.661	0.9972	0.8343	2.707	1.9258
adenosine	0.0441	1.0975	0.0441	0.7985	0.6234	0.1045	1.9707	0.8564	1.3371	0.2436	1	1.0084	0.8202	1.242	0.2326	2.1432	1.0538	0.5968	1.3887	6.3129	0.7469	0.242	1.011	1.8272
AMP	0.0045	3.6751	0.0045	4.9428	0.0162	0.0063	0.0386	2.0238	4.6271	0.0988	0.0391	6.2729	0.6767	2.8375	0.0163	0.812	5.2998	2.0302	1.4921	2.0322	0.0292	0.114	4.9282	1.188
adipate	0.5898	0.8839	0.5352	1.0848	0.4423	0.6694	1.0295	0.9857	1.3685	3.063	0.3782	0.5781	1.0143	2.2118	0.8643	0.613	2.6431	2.9102	1.1726	0.7848	0.5906	2.1185	1.8523	1.6425
adipoylcarnitine (C6-DC)	0.8692	0.6452	0.8353	0.6773	1.4951	1.7684	0.6498	1.637	1.381	4.4613	1.0074	0.8658	0.8716	2.0326	2.7253	1.2549	3.4001	1.8669	2.1495	0.9926	0.8919	0.8843	0.9644	0.9857
adrenate (22:4n6)	1.3409	1.7207	0.7143	0.5486	2.0098	1.319	1.4658	1.2719	1.2339	1.6136	0.8346	1.0129	0.648	1	1.3158	0.6876	0.9159	0.8697	1.3961	0.9721	0.8909	0.6771	0.9907	0.5486
alanine	0.5396	0.9953	0.6272	0.676	0.9779	1.0411	1.0047	1.2774	1.2318	1.4054	1.1962	0.8763	0.8386	1.159	0.7821	0.9196	1.0322	1.0202	0.88	0.7272	0.7741	1.7226	1.1283	1.1079
allantoin	1.019	1.085	1.2087	0.7623	1.1408	1.2143	0.893	1.3429	1.4075	1.1571	1.228	0.9209	0.981	0.948	0.8848	0.9563	1.1034	1.083	0.9	0.734	0.8748	0.8663	1.1077	0.8979
alpha-hydroxyisocaproate	0.4166	1.5738	1.9755	0.9593	0.8874	1.0407	2.0269	2.7243	2.3956	0.6269	0.8734	0.5083	0.6967	0.6466	0.3261	1.9465	2.3123	2.3971	0.6055	0.3172	0.3459	1.6524	1.3665	1.7
alpha-hydroxyisovalerate	0.5613	1.5824	1.9724	1.0934	0.6889	0.6595	2.4409	3.926	2.3594	0.6974	0.588	0.4943	0.7248	0.7683	0.8361	2.3366	2.6155	3.7107	0.9066	0.5764	0.6437	2.4531	2.2142	2.5047
alpha-ketoglutaramate	2.4734	1.8433	0.8157	1.0552	1.4526	0.9568	0.9451	1.4683	1.5435	0.9214	0.9244	0.9966	1.2148	0.9607	0.6605	0.7838	1.3926	1.2899	0.8144	0.8773	0.9336	1.0245	1.3393	1.0034
alpha-ketoglutarate	0.7205	1.1489	0.7742	0.9314	0.4993	0.8571	0.551	1.0511	1.0892	0.7878	0.9489	0.7741	1.1271	1.6813	0.9012	0.7947	1.1108	1.4258	1.1032	0.8981	1.1965	1.6717	1.5152	1.0845
alpha-muricholate	0.5625	1.5269	0.2495	0.2495	0.6215	0.2495	0.2495	0.5966	0.2495	5.0465	2.2665	1.3785	0.2495	0.2495	0.2495	0.2495	0.2495	0.2495	0.2495	0.2495	0.2495	0.2495	0.2495	0.2495
alpha-tocopherol	0.9624	0.1329	0.4903	0.1897	1.5769	1.4474	1.434	0.602	0.5028	1.1019	0.8685	0.0049	1.1205	1.0019	1.3183	1.5228	0.422	1.1211	0.9105	0.9981	1.3146	0.7843	1.3037	1.7976
anserine	0.3869	1.0479	1.4477	1.0913	0.6007	0.5726	0.9521	1.9458	1.4286	1.056	0.663	0.5874	0.7207	0.846	0.511	1.5621	1.8309	2.3263	0.4886	0.5045	0.4044	1.0857	1.4273	1.4169
arabinose	0.6279	0.9806	0.9347	0.6279	1.1874	2.5272	0.8101	1.342	1.2012	0.8896	0.999	0.6279	1.5369	1.001	0.6279	0.6279	0.8402	0.8551	0.9245	1.1585	1.1132	1.0765	1.1299	0.8059
arabitol/xylitol	0.5502	0.7993	0.5965	0.4135	0.6298	1.0764	0.5231	1.2269	0.9893	1.161	0.4725	0.5259	1.4631	1.8554	0.8213	1.0332	1.3849	1.828	1.0107	0.9019	0.9618	1.5161	1.6473	1.4983
arabonate/xylonate	1.1308	0.9259	0.4746	0.5334	1.5267	1.3037	0.7572	1.3197	1.0433	1.1739	0.7405	0.9752	1.1866	1.0248	0.7154	0.5969	1.147	1.1046	0.7974	1.3193	0.8286	0.7493	1.2483	0.8493
arachidate (20:0)	1.4578	2.584	0.8405	1.2626	0.7483	1.103	1.8192	0.8614	2.1935	1.575	1.002	1.1909	1.4126	0.6475	0.6878	0.8264	0.998	1.6077	0.7993	0.6406	1.1326	0.8628	0.9121	0.8234
arachidonate (20:4n6)	1.3169	1.5144	0.8062	0.3433	1.4289	0.9905	1.4273	0.8049	1.2208	1.7132	1.024	0.7163	1.1408	0.6231	0.9332	0.9467	0.7784	1.1983	1.5173	1.0095	1.3	0.541	0.8406	0.806
arachidonoylcarnitine (C20:4)	1.4546	0.6661	0.9784	0.4429	1.5416	1.4234	0.8591	1.1166	1.1898	1.3097	0.8367	0.889	1.5512	1.4685	1.0216	0.6678	1.2777	2.0765	0.9032	0.7826	0.6239	1.3317	0.8182	0.8259
arachidoylcarnitine (C20)	0.8077	1.288	1.5808	1.0302	1.1966	1.664	2.1523	1.7428	1.6812	1.567	0.8669	0.8488	0.7678	0.6714	0.9698	1.5927	0.8489	2.1128	0.4484	0.6588	0.5928	0.7825	1.2952	0.8657
argininate	0.6688	1.104	0.7008	0.6267	0.5614	0.4843	0.4952	1.3453	1.0833	0.9167	0.5109	0.6473	1.6366	1.6736	0.5766	1.1812	1.4578	1.7944	0.7871	0.7131	1.1223	1.3271	2.0359	1.6978
arginine	0.8376	0.9128	0.3707	0.5167	1.2164	1.0178	0.899	0.9277	0.9461	0.9211	1.0879	0.7982	1.0152	1.1774	1.0708	0.7549	0.9093	1.0431	1.1196	0.9848	1.1593	1.2067	1.3646	1.4422
argininosuccinate	2.0116	2.089	0.3272	0.9134	0.5961	2.6365	1.0866	0.8078	1.8849	1.1896	2.8398	2.0659	2.0473	0.8957	0.323	0.408	0.6576	5.8722	0.5444	0.4198	1.4712	0.4171	3.2861	0.5496
asparagine	0.7705	0.7419	0.6943	0.6027	1.0331	1.0808	1.0234	1.0455	1.0171	0.9612	1.0929	0.853	0.903	1.0972	1.0756	0.9198	1.0098	1.0733	0.9199	0.9767	1.0448	2.3028	0.9902	0.919
aspartate	0.7702	1.2072	0.2722	1.0518	1.1242	0.9764	0.9803	0.9711	1.1695	1.2321	0.9636	1.2251	0.4703	0.5692	0.7336	1.5174	1.3196	1.0105	0.7125	0.9895	0.7702	1.1555	1.3073	1.1435
azelate (nonanedioate; C9)	0.4712	1.5631	0.6143	1.2996	0.668	0.4848	0.75	1.0351	1.1977	0.6754	0.4208	1.1455	1.61	1.146	0.5143	0.8773	1.9304	2.09	1.1618	0.457	0.536	1.0181	1.1981	0.9819
behenoyl dihydrosphingomyelin (d18:0/22:0)	0.635	0.9434	0.8779	0.6844	1.1158	1.1755	1.2361	1.2966	1.4101	1.0037	0.8249	1.1425	0.9572	1.0236	0.9963	1.2296	1.4022	1.0925	0.6715	0.692	0.7053	0.6537	0.9444	1.3934
behenoyl sphingomyelin (d18:1/22:0)	0.4941	1.2831	1.7262	0.9784	1.0216	0.8256	2.2694	2.2375	2.2046	0.8591	0.6661	0.5993	0.6263	0.9035	1.1244	3.8199	2.312	2.4297	0.565	0.7731	0.6717	0.6072	1.8217	2.6156
behenoylcarnitine (C22)	0.624	1.152	0.9987	0.8679	1.4812	1.6121	1.5946	1.8288	1.5107	1.038	0.7421	0.7092	0.7969	0.9243	0.7033	1.3845	1.0549	1.5902	0.6421	0.6671	0.6899	0.925	1.0013	1.2324
benzoate	0.9615	1.0057	0.8151	0.6541	2.5391	0.8205	1.0641	3.7591	1.6008	0.9943	1.1063	1.452	0.8988	1.0201	1.0075	0.8232	1.1701	1.2839	1.2977	0.9818	0.8746	0.9302	0.9783	0.8976
beta-hydroxyisovalerate	0.9151	0.7982	0.8142	0.4428	0.9592	1.4132	1.3452	1.5029	0.9443	1.5691	2.1265	0.9777	1.0223	1.2625	1.0645	0.6873	0.6602	1.1955	1.1209	0.9389	0.805	1.1296	0.9127	1.0632
betaine	0.809	1.0025	0.7667	0.7446	1.3133	1.0759	1.36	1.1277	1.2295	1.8338	1.3629	0.9306	1.1243	0.9488	0.7288	0.8149	1.177	0.9246	0.7303	0.7734	0.7619	1.7712	0.9975	1.1643
beta-muricholate	1.407	2.4295	0.5165	1.4165	2.6123	1.0417	0.4474	0.8539	0.6201	10.9326	4.7797	6.0951	1.5332	0.0952	0.0746	0.1205	1.4442	17.1154	0.0717	0.0434	0.0654	4.4219	0.9583	0.2585
beta-sitosterol	0.9964	2.3417	0.9508	0.6076	1.9392	1.0036	2.3565	1.727	2.1205	0.7101	1.2982	0.5625	0.8036	0.5734	0.5928	1.7274	0.8527	1.3094	0.5625	0.7162	0.5625	0.8653	1.37	1.8546
betonicine	1.1446	1.2979	0.4232	0.5555	0.9014	1.012	0.4078	0.9245	1.1007	0.4357	0.6146	0.9218	2.0093	2.1563	0.7503	0.8623	1.3403	0.97	1.3253	0.988	1.1898	2.4259	1.7775	1.8267
bilirubin (E,E)	1.4214	0.158	2.9327	0.158	1.043	1.3333	2.0967	0.158	0.158	0.8313	1.5861	0.158	0.6306	0.3184	2.4424	1	0.158	1.6367	0.5295	0.9509	0.6299	3.9745	0.3211	0.9726
bilirubin	0.9762	0.006	1.9818	0.006	1.5202	1.3698	2.3178	0.1415	0.1194	1.2716	2.1182	0.006	0.8762	0.5375	1.6402	1.0238	0.0126	2.1573	0.7677	0.9713	0.8042	3.1107	0.4526	1.4459
biliverdin	0.8865	0.9821	2.2243	0.5898	0.9703	0.9452	1.825	3.5562	3.9651	1.517	1.0179	0.3554	2.6187	1.705	0.4728	0.6926	1.8268	3.2331	1.3271	0.4874	0.8163	0.5312	2.1024	0.5934
biopterin	0.7253	0.8614	0.6353	0.708	1.1893	1.0476	0.7026	1.2951	1.1252	1.432	0.9384	0.8077	0.7845	1.0905	1.0068	1.0324	1.1144	1.0597	1.0609	0.9932	0.9495	0.7946	0.9098	1.1013
butyrylcarnitine (C4)	0.8914	0.9372	0.4986	0.5515	1.1134	0.907	0.4887	1.3357	1.091	1.4187	0.5266	0.6785	1.2838	2.2867	1.0288	1.0061	1.0107	0.9939	0.822	0.9309	1.0683	0.6678	1.827	1.2924
butyrylglycine (C4)	0.4867	0.9177	0.5472	1.3595	0.6505	0.8526	0.4494	2.0972	1.6142	1.7345	0.3994	0.4198	0.8764	2.136	1.3731	1.487	3.7644	2.5597	1.0823	0.8072	0.7897	0.4857	2.1408	2.3856
caffeic acid sulfate	0.2779	0.1957	0.1056	0.0596	0.3291	0.555	0.0596	0.0596	0.2267	0.3117	0.0596	0.1572	7.1754	3.6113	1	0.9796	2.0452	1.4401	2.7177	1.7536	2.1512	1.2002	1.4658	1.6779
campesterol	0.9473	1.5138	1.0527	0.648	1.5312	1.5473	1.9677	1.725	1.8372	1.0573	1.0588	0.565	0.5516	0.5108	0.5855	1.167	0.6529	0.81	0.5999	0.7385	0.6426	0.4465	1.1762	1.2311
caprate (10:0)	0.9573	1.455	1.0385	0.8924	0.9601	0.7833	1.1364	0.8897	1.1218	1.6881	0.729	0.7763	1.0823	0.8661	1.2233	1.2441	1.7915	1.4754	1.001	0.962	0.9642	0.8322	0.999	1.0779
caproate (6:0)	0.7699	0.777	0.6678	0.4602	0.7844	0.6012	0.936	0.8166	0.9018	1.1588	0.5688	2.1848	1.9997	1.2952	1.1385	1.2202	2.3315	2.0098	1.8644	1.064	1.1106	0.6147	1.2645	0.8558
caprylate (8:0)	0.6202	1.3975	0.6969	0.8606	0.9937	0.4777	0.9174	1.0063	0.9044	1.1445	0.3676	0.4783	1.0703	0.741	1.3841	1.2356	2.099	1.2866	1.3848	1.2138	0.8403	0.6836	1.0253	1.2186
carboxyethyl-GABA	0.5933	0.9524	0.4976	0.8772	0.8628	0.9822	0.5185	0.9718	0.8335	1.421	0.7375	0.5358	1.2278	1.6114	1.494	1.146	2.0281	1.7365	1.3047	1.0178	0.8509	1.0609	1.3379	1.2663
carnitine	0.699	0.8916	0.6446	0.5697	1.1995	1.0961	1.0945	0.9701	0.8556	1.0485	1.3117	1.0557	0.98	1.02	0.8147	0.8191	0.8846	0.7824	0.8226	1.0713	1.138	1.4015	1.1069	1.1278
carnosine	0.9612	0.9629	1.0034	0.7794	1.2993	1.3183	0.7003	1.3905	1.3053	1.0092	1.0349	0.6953	0.9966	0.9799	0.6496	1.0535	1.2482	1.9715	0.8235	1.065	0.6361	0.7913	1.5103	0.975
carotene diol (1)	0.6075	0.3111	0.2835	0.2835	1.1304	1.0101	0.6076	0.6944	0.5051	0.5713	1.0645	0.2835	1.2295	1.5431	1.897	1.5639	0.9899	1.0541	0.8418	0.8809	0.8914	1.031	1.4178	1.211
carotene diol (2)	0.4515	0.4515	0.4515	0.4515	1.5762	1.1335	0.4515	0.4515	0.4515	0.4515	1.528	0.4515	0.9853	0.9997	1.9287	1.0787	0.7068	0.7379	0.8083	1	1.0295	0.7295	1.0102	0.4515
catechol sulfate	19.4777	15.2444	2.6163	5.0337	6.2265	5.1042	1.6017	16.8069	11.6976	3.7352	2.0945	6.0471	0.0652	0.3983	0.0579	0.051	0.2142	0.0911	0.0432	0.03	0.0778	0.0979	0.1415	0.1159
ceramide (d16:1/24:1, d18:1/22:1)	0.7205	3.2508	1	1.2196	0.7785	0.7447	1.1291	1.4899	1.6261	0.582	0.2929	0.2929	0.2929	0.3429	0.5079	1.2388	0.8798	1.3314	0.4602	0.4317	0.2929	1.0104	1.7129	1.8716
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)	0.733	1.4071	0.8573	0.9428	1.0038	1.1312	1.0524	1.362	1.4512	0.9962	0.5203	0.6573	0.6017	0.7308	1.0959	1.6979	1.5466	1.581	0.9811	0.7643	0.745	0.5507	1.2585	1.6604
ceramide (d18:2/24:1, d18:1/24:2)	1.3774	1.5461	0.7548	0.9042	1.5641	1.4699	0.9399	1.396	1.2206	1.0635	0.8819	0.9453	0.4627	0.6596	0.8615	0.9058	0.8364	1.1575	1.1053	0.7624	0.9484	1.0516	1.1722	1.3255
C-glycosyltryptophan	0.6547	1.2882	0.5873	1.0332	1.168	1.1462	0.9668	1.4599	1.3252	1.4098	1.549	0.7102	0.2537	0.6384	0.4709	1.5811	1.6043	0.9131	0.5358	0.6829	0.5817	0.6772	1.2006	1.1157
chenodeoxycholate	0.4011	0.653	0.277	0.1354	1.3415	0.2262	0.2312	0.2409	0.2235	0.9082	1.6783	0.5734	2.1496	3.0975	2.2618	1.3826	1.5379	1.2768	1.2946	1.2433	1.0554	1.6186	0.7951	0.9446
chiro-inositol	0.5113	0.6418	0.5113	0.5113	0.5726	0.6852	0.5113	2.4073	0.5113	0.5113	0.5113	0.5113	2.2401	3.1703	0.5113	0.5113	0.5113	3.5133	0.7242	0.7983	0.5113	5.2699	1	1.1583
cholate	0.8247	2.6458	0.6754	1.2792	1.916	0.338	0.2577	2.8525	1	7.7354	2.7584	3.3877	0.0075	0.0075	0.0075	0.0075	0.0075	0.1004	0.0075	0.0075	0.0075	0.8496	0.0075	0.0075
cholesterol	0.9311	1.5257	0.9552	0.615	1.692	1.2923	1.5726	1.6073	1.7124	1.0388	0.93	0.7233	0.9991	0.8813	1.0009	1.4911	0.9833	1.1606	0.8874	0.9305	0.8306	0.8454	1.7262	1.524
choline	0.6485	0.924	0.6317	0.8591	1.1	0.8223	1.1922	1.2366	1.0874	1.9999	1.0444	0.9556	0.8076	1.0822	0.6695	1.1475	1.2767	1.1322	0.5317	0.6846	0.66	1.0525	1.275	0.8821
phosphocholine	0.4642	0.9696	0.3886	1.0566	0.8758	0.8819	0.7607	1.1089	1.1736	2.1967	1.2674	1.267	0.6821	1.3813	0.9083	1.15	1.3498	1.1524	0.6559	0.9606	0.7391	0.9357	1.6747	1.0304
cinnamoylglycine	83.1335	118.8865	0.1603	1.125	30.758	25.2093	0.2874	1.0656	1.5017	0.1603	0.294	40.1112	0.2903	1.3686	0.1603	0.1603	0.9344	0.4561	0.1603	0.1603	0.1603	0.2812	0.8115	0.7408
cis-4-decenoylcarnitine (C10:1)	1.1572	0.7711	0.7936	0.5223	1.3171	0.8633	1.0725	0.9275	1.127	1.2765	0.5077	0.672	1.7476	1.2714	1.6459	1.1005	1.3605	1.7274	0.8744	0.7919	0.614	1.1278	0.8591	0.9022
cis-urocanate	0.9142	3.7799	0.6087	3.906	0.7594	1.7925	0.3894	1.568	1.8551	0.7077	0.8486	3.0811	3.418	1.4385	0.2622	0.694	3.2582	5.1067	1.6205	0.7515	0.7583	0.2622	1	0.456
citrate	0.9906	1.1301	1.046	0.9117	0.8783	1.0832	0.5165	1.1907	1.2157	0.9386	0.9553	1.1861	1.0094	1.0871	0.8625	0.8464	1.1759	1.2996	0.8241	0.7957	0.8935	0.924	1.0507	1.0381
citrulline	0.8806	0.8912	0.6475	0.4608	1.1641	0.9149	0.9878	0.8987	0.9487	1.0983	1.2388	0.8803	1.0122	1.0891	1.1743	0.9769	0.9128	0.9615	1.1313	1.0765	1.2405	1.1998	1.0671	1.0732
corticosterone	0.5707	0.5259	0.7884	0.3709	0.8938	0.951	0.3475	0.9234	1.0903	1.049	1.0945	0.782	1.5494	1.6915	1.2976	0.7955	1.1922	1.1398	1.2014	1.2069	1.1724	0.6907	0.8509	1.0854
creatine	0.6232	0.8235	0.9231	0.7299	0.9331	0.9988	0.8	1.1745	1.0859	1.4591	1.0648	0.915	0.9497	1.267	0.9017	1.2369	1.8095	1.5983	1.0012	0.8953	0.7064	1.0606	1.1922	1.151
creatine phosphate	0.6517	1.2019	0.6572	0.7066	0.9922	1.3432	1.0354	1.2092	1.4833	1.6245	1.5208	0.735	0.6016	0.3705	0.9576	1.9341	0.9295	1.2959	0.9013	1.0059	0.9832	0.9941	1.1677	1.381
creatinine	0.7931	0.8852	0.6926	0.7773	0.9381	1.1391	0.8678	0.9233	1.0123	1.1301	0.9736	0.8091	1.7968	1.6607	0.9861	0.9823	1.543	1.1465	1.1793	0.9877	1.0301	1.5704	1.4434	1.3233
cystathionine	1.8401	1.3099	1.5154	0.7097	2.3011	1.8633	0.9596	1.9371	1.3444	1.6117	1.4749	0.7371	0.6494	1.1161	0.749	0.9693	0.7527	1.4057	0.8518	1.0307	0.6463	0.9261	0.9264	0.9211
cysteine	0.8192	1.0925	1.0927	0.6876	0.6771	0.8166	0.8641	1.151	1.1796	1.5518	1.146	0.7168	0.6927	0.9692	0.7163	1.0308	1.1692	1.4643	0.6605	0.9192	0.5821	1.5119	1.3014	1.0537
cysteine s-sulfate	0.8132	0.5268	0.4902	0.6562	0.3305	1.0106	0.4402	1.2541	0.6844	0.792	0.7832	0.7459	2.2033	3.6912	1.7877	0.9894	2.5579	3.6239	1.4384	0.4808	1.3282	5.0791	2.39	2.6265
cysteine sulfinic acid	0.6803	1.1542	0.7464	0.8498	0.6049	0.6049	1.6519	1.3924	1.7412	0.6049	0.6049	1.1502	0.6049	0.6049	0.6049	0.6049	0.6049	0.6049	0.6049	0.6049	0.6612	1.3879	0.8314	0.6049
cysteine-glutathione disulfide	0.6343	1.2464	0.7369	0.995	1.077	1.3135	1.3032	1.7794	1.5644	1.9102	1.491	1.494	0.7322	1.005	0.778	0.9129	1.32	0.9383	0.8728	0.9332	0.7563	0.437	1.2402	0.8795
cysteinylglycine disulfide	1.0885	1.1056	0.6404	0.7171	1.2788	1.6784	1.7221	1.8568	1.6799	1.862	2.4962	0.9045	0.5552	0.5719	0.8571	0.5494	0.7242	0.5956	1.1642	1.3449	1.575	0.2702	0.9115	0.7719
cystine	0.3029	0.5969	1.9621	0.684	1.5705	1.3287	0.669	0.6977	1.5014	1.7611	1.3709	0.6197	0.8154	0.4395	0.8963	0.9014	1.1032	0.5255	1.0986	1.6993	1.2441	0.2485	1.1929	1.4336
cytidine	0.5901	0.9266	0.7402	0.7986	1.3778	1.2679	0.8916	1.787	1.3929	2.3389	1.1286	0.8396	0.5827	0.9915	0.893	1.7533	1.6701	1.5404	0.7835	0.868	0.5763	1.0085	1.4751	1.2786
CMP	0.2978	1.7239	0.2978	1.1622	0.2978	0.3825	0.8307	1.3338	2.2673	1.2267	0.6398	3.6644	0.883	1.4558	0.326	1.0222	2.2342	0.9778	1.0466	0.891	0.4862	0.4404	1.9751	0.7852
cytosine	2.096	1.3201	0.8369	0.9687	2.3155	1.0619	0.3493	1.0395	0.8094	1.1185	1.2272	1.4478	1.4001	1.175	0.2678	0.3683	0.9946	0.6968	0.7929	0.4441	0.6496	1.0054	0.9069	1.0692
daidzein	0.0656	0.5848	0.0656	0.2085	0.1232	0.2487	0.0656	0.5115	0.0656	0.0656	0.0656	0.3726	0.9183	1.2564	1	0.703	1.1974	3.4385	1.8157	1.4312	1.3264	9.1215	1.3335	1.5408
daidzein 7-O-glucuronide	0.5105	0.5878	0.5105	0.5105	0.5105	0.5105	0.5105	0.5105	0.5105	0.5105	0.5105	0.5105	3.7553	1.7791	0.7409	0.5105	1.1458	9.1501	1.8542	0.797	0.6156	10.8531	0.8542	0.5105
daidzein sulfate (1)	0.5551	0.5551	0.5551	0.5551	0.5551	0.5551	0.5551	0.5551	0.5551	0.5551	0.5551	0.5551	3.1363	1.1604	0.5551	0.5551	1.7403	13.7908	0.8396	0.5838	0.5551	21.4171	0.6536	0.7012
daidzein sulfate (2)	0.5249	0.6253	0.2253	0.5215	0.3115	1.0518	0.0205	0.4223	0.3562	0.2949	0.1296	0.8379	5.7263	3.9278	1.7575	0.9482	3.4542	10.7604	2.7501	1.6633	1.513	16.5793	2.6797	2.0705
decanoylcarnitine (C10)	0.9153	0.8752	0.8504	0.5513	1.1344	0.805	1.0627	1.0025	1.3957	2.4661	0.5278	0.7719	1.7409	1.9739	1.8529	1.3772	1.9573	2.4182	0.8038	0.8101	0.5534	0.9975	1.063	0.985
deoxycarnitine	0.8038	0.7255	0.3825	0.5284	1.4006	1.5463	0.752	0.8112	0.7848	1.1671	1.0934	1.0723	0.9623	1.057	0.8179	0.8304	1.2369	0.9406	0.9598	1.0377	1.183	1.8935	1.5722	1.2669
deoxycholate	7.7001	14.4938	1.302	0.7863	12.216	6.5585	2.7624	6.8791	1.6554	44.1576	34.2562	26.9391	1.0506	0.8686	0.9494	0.843	0.7189	0.7957	0.6028	0.5682	0.5346	0.5835	0.2127	0.4928
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])	1.5701	3.373	0.7344	0.5678	1.5555	0.8947	0.2879	2.3136	1.1928	0.5222	0.5397	0.8951	1.9653	0.7256	1.0485	3.9302	0.4827	0.9477	0.9515	0.3225	1.6117	2.2238	2.2732	2.4606
dihomolinoleate (20:2n6)	1.4605	2.3024	1.3645	0.3911	1.4867	0.8927	1.651	0.8269	1.5085	2.1566	0.8168	0.7103	1.3229	0.5786	1.0539	1.0244	0.8806	1.1511	1.4451	0.7879	0.9756	0.6788	0.8682	0.8433
dihomolinolenate (20:3n3 or 3n6)	1.666	2.3529	1.112	0.3306	1.4888	0.9366	1.4574	0.8016	1.3279	1.7449	0.8983	0.7087	1.1414	0.5885	0.9363	1.0519	0.7132	1.1015	1.5829	0.9481	1.2653	0.5599	0.8418	0.8076
dihomo-linolenoylcarnitine (C20:3n3 or 6)	1.0848	0.8202	1.1203	0.4297	1.3241	1.0968	1.0127	1.4211	1.1723	1.4381	0.868	0.827	1.1952	1.327	0.8261	0.7307	0.9873	1.4325	0.6903	0.5061	0.3946	1.0797	0.83	0.6743
dihomo-linoleoylcarnitine (C20:2)	1.036	0.8876	1.2965	0.4748	1.188	1.075	1.2314	1.3121	1.1726	1.2737	0.7686	0.6484	0.994	1.3169	0.8079	0.86	1.1557	1.1576	0.5344	0.3939	0.4319	1.006	0.7783	0.7554
dihydroorotate	1.022	1.2917	0.4536	0.4499	0.6854	0.8318	0.9156	1.1496	1.1435	1.5462	1.0756	0.4849	1.5406	1.065	0.8314	0.8693	0.978	1.1063	0.696	1.0542	0.9619	1.3107	1.1596	0.8435
dimethylarginine (ADMA + SDMA)	1.0158	0.657	0.458	0.4555	1.3288	1.398	0.8405	0.9842	1.0612	0.9715	1.1643	0.6782	0.677	0.9111	1.1144	0.9505	1.1674	1.0585	1.0224	0.8031	1.0216	0.9559	1.1443	1.2083
dimethylglycine	0.7478	0.6327	0.7746	0.4299	1.2197	1.2883	0.9929	1.0394	1.1394	1.4046	0.923	0.798	1.3334	1.1809	0.9583	0.9314	1.1099	1.1568	1.0071	1.0489	1.1935	0.7284	0.7133	0.7346
docosadienoate (22:2n6)	0.5642	1.1461	1.5894	0.269	1.5705	0.7801	1.2733	1.1645	0.8655	2.3501	0.3654	0.4027	0.6511	0.6819	1.3312	1.2837	1.3561	0.8933	1.4155	0.8414	0.3743	1.1067	0.5156	1.1187
docosadioate (C22-DC)	0.9038	1.8779	0.7336	0.7246	1.1657	0.9378	0.9897	1.0576	1.243	1.8862	0.6115	0.8186	1.7948	1.3599	0.9157	0.6578	1.6338	1.0103	1.1716	0.8365	0.8924	1.3628	0.7878	1.0427
docosahexaenoate (DHA; 22:6n3)	1.3285	1.626	0.7102	0.2303	1.5894	1.1181	1.3733	0.7931	1.2872	1.5157	1.1217	0.7401	1.0127	0.5128	0.9408	1.1739	0.6948	0.9873	1.5607	0.9495	1.1197	0.6187	0.9245	0.8152
docosahexaenoylcarnitine (C22:6)	1.1558	0.6468	0.6008	0.3119	1.2369	1.5191	1.0717	1.0494	1.1044	1.137	1.1322	1.007	0.993	1.226	0.797	0.67	0.8907	1.2324	0.667	0.6864	0.4034	1.6891	0.9092	0.8596
docosapentaenoate (DPA; 22:5n3)	1.5855	2.3229	1.1307	0.3166	1.5716	1.0863	1.4203	0.9191	1.5844	1.8823	1.0338	0.7841	0.9493	0.5355	0.8772	1.2013	0.6714	0.9758	1.4774	0.8888	1.0217	0.4982	0.9783	0.8606
docosapentaenoate (n6 DPA; 22:5n6)	1.3023	1.5595	0.8288	0.1881	1.5564	1.0942	1.2258	0.7219	1.2442	1.3391	0.9616	0.8033	1.0064	0.5383	0.9604	0.9936	0.7455	0.9472	1.5463	1.0349	1.0934	0.8394	1.0847	0.7466
docosapentaenoylcarnitine (C22:5n3)	1.1298	0.8941	0.7789	0.6207	1.3709	1.4763	1.229	1.1829	1.537	1.5738	0.7481	0.7791	0.9873	0.9969	0.697	0.8686	1.3503	1.6095	0.5673	0.4585	0.4946	1.327	1.1006	1.0031
docosatrienoate (22:3n3)	1.1248	3.3673	1.0631	0.7049	1.6865	0.8139	0.7049	0.8487	1.4892	1.6997	0.7049	0.7049	0.9537	0.7781	1.1832	0.7703	0.8962	1.1122	0.8611	0.7961	0.7049	1	1.9744	0.7049
dodecadienoate (12:2)	0.9737	0.8483	1.0263	0.4763	1.1958	0.7014	1.1209	0.736	1.173	1.052	0.3234	0.4301	1.4937	0.6643	1.3948	1.3056	0.8629	1.4298	1.1944	0.8429	0.8037	0.8212	1.1191	1.3387
dodecanedioate (C12)	0.7706	1	0.4398	0.4398	0.8402	1.0828	0.6223	1.2357	1.4194	1.7435	0.6329	0.4398	2.2763	1.0234	1.0927	0.8594	1.7245	3.3351	0.9757	0.4398	0.6737	3.0777	0.6482	0.578
dodecenedioate (C12:1-DC)	0.8577	1.7853	0.4324	2.483	1.2615	0.6758	0.4959	1.1538	1.9737	0.6005	0.4348	2.775	1.6381	1.0371	0.4894	0.5541	1.7019	3.1607	1.4852	0.506	0.6209	2.0026	0.9629	0.613
ectoine	0.2633	0.3039	0.1942	0.1942	1.0188	0.5912	0.1942	0.9812	0.2477	0.1942	0.1942	0.5523	2.935	2.5311	0.7078	0.7993	1.8767	1.563	1.0262	0.9346	1.4862	1.9589	2.0268	2.456
eicosanedioate (C20-DC)	0.7362	1.0777	0.5782	0.6228	1.0743	1.4121	1.0021	0.9979	1.5013	2.282	1.0315	0.9655	1.296	1.1418	0.7083	0.8792	1.2711	1.2008	0.9589	0.7747	0.8676	1.209	0.7792	0.9733
eicosapentaenoate (EPA; 20:5n3)	1.9065	1.9621	0.9161	0.3712	1.5647	1.1499	1.3637	0.675	1.2174	1.5514	0.7812	0.7945	1.3315	0.5907	0.9625	1.2324	0.5924	1.0375	1.4837	0.8973	1.1086	0.574	0.885	0.8975
eicosenoate (20:1n9 or 1n11)	0.7439	2.2759	1.68	0.4161	1.203	0.6718	1.0373	1.4058	1.0899	4.7689	0.4351	0.5676	0.8846	0.5318	1.4667	1.7316	1.397	1.4103	0.9627	0.5998	0.7011	0.4266	0.8047	1.3554
eicosenoylcarnitine (C20:1)	0.6812	0.8794	1.376	0.799	0.9892	1.3106	1.1037	1.4285	1.2404	1.904	0.6861	0.6224	1.0642	1.0733	1.0108	0.9754	1.5927	1.7673	0.4669	0.5156	0.508	0.8032	1.0221	0.9002
equol glucuronide	3.4406	4.4592	0.3496	0.3496	0.9561	0.3496	1	2.2902	1.7724	0.4297	0.7218	0.3496	0.3496	0.3496	0.3496	0.3496	0.3496	0.3496	0.3496	0.3496	0.3496	0.3496	0.3496	0.3496
equol sulfate	2.994	2.4555	0.0076	0.0076	1.5181	1	0.6307	1.1605	1.0797	0.9875	0.6265	0.1152	0.0076	0.0076	0.0076	0.0076	0.0076	0.0076	0.0076	0.0076	0.0076	0.0076	0.0076	0.0076
ergothioneine	0.4917	1.1505	0.3594	0.6596	1.1034	1.1178	0.4625	1.1369	0.9232	0.9721	1.1525	1.5575	0.998	1.3698	1.002	0.7782	1.4371	1.071	0.9001	0.9231	0.8725	0.733	1.4656	1.3752
erucate (22:1n9)	1.2703	4.8318	0.7523	0.9817	0.9044	0.8304	1.5525	1.1405	2.6968	3.0358	0.4621	0.7754	1.0659	0.437	0.6649	1.1827	1.0183	1.6778	0.5917	0.3394	0.8676	0.5238	1.0773	1.0535
erythronate	0.8922	0.9772	0.7737	0.7037	1.1993	0.9444	1.0295	1.6477	1.4045	1.1097	0.9722	0.8082	0.9695	1.1609	0.8851	1.0786	1.4009	1.3637	0.8461	1.0228	0.9605	0.8272	1.3502	1.1063
ethyl glucuronide	0.3651	0.3651	24.3982	0.3651	0.3651	0.3651	0.3651	0.7886	0.9094	0.3651	1	0.4975	0.4111	0.3651	2.9523	1.4868	1.4849	0.5054	3.0384	0.7917	1.7513	1.0167	0.3952	1.3778
ethylmalonate	0.984	0.7742	0.5907	0.5633	0.9743	1.0706	0.8501	1.1769	1.2397	1.3541	0.9735	0.8063	0.6437	1.1714	1.0909	1.0021	1.454	1.3032	1.0979	0.8501	1.0275	0.8594	1.1228	0.9979
ferulic acid 4-sulfate	0.6428	0.9404	0.326	0.677	0.5132	1.0843	0.0571	0.427	0.428	0.3217	0.2622	0.2855	3.1108	3.0765	1.0596	0.6645	1.6227	1.7006	2.3183	1.3123	1.0662	3.1291	1.4536	1.4558
FAD	0.5131	0.7846	0.4359	0.4359	0.4359	1.5482	0.5042	1.4827	1.6852	1.0804	0.6696	1	0.8254	0.4359	0.9747	1.5747	2.0342	1.5189	0.8903	0.4359	0.4359	0.9301	2.0294	2.529
formiminoglutamate	0.9592	0.9886	2.0505	0.8846	1.4751	1.3241	0.4142	1.8697	1.0114	2.6269	1.0711	0.8398	1.5989	1.5131	1.195	0.6837	0.9228	2.3241	1.1235	0.76	0.8942	0.6573	0.8997	0.686
fructose	1.3705	0.4768	1.2713	0.1469	2.6625	0.9394	0.9349	1.2362	1.0606	0.5134	1.8812	0.4413	1.7988	0.6233	0.5958	0.3376	0.3939	0.5375	1.3994	2.9582	1.8399	1.636	2.0304	0.7555
fumarate	0.5879	1.3529	0.6797	0.7275	0.4144	1.0198	0.3955	1.5261	1.0523	1.921	1.3852	0.9114	0.9802	2.0306	0.7962	0.7342	1.5207	1.5742	0.702	0.4567	0.6414	1.2215	1.561	1.1189
galactonate	0.3995	1.6231	0.518	0.5041	0.7054	1.0324	0.8408	1.0246	0.9941	1.2392	0.7473	0.4414	1.3346	1.5797	0.8733	0.9705	1.0586	1.5851	0.9847	1.0059	0.855	1.3194	1.8131	1.4872
gamma-glutamyl-2-aminobutyrate	1.741	1.5813	0.2694	0.2694	1.3867	2.8299	0.2694	0.5189	0.6286	1.4116	1.513	0.7843	0.4142	1.2157	1.7162	0.2694	0.6602	0.643	1.7876	0.5809	0.6801	0.2694	0.2694	0.2694
gamma-glutamylalanine	0.8293	1.1276	0.5748	0.6589	1.0406	1.4483	0.7878	1.5058	0.8882	1.3901	1.6942	0.8159	0.8948	1.889	1.0737	0.5212	0.9594	0.7924	1.2856	0.8716	0.8303	2.1345	1.048	1.1706
gamma-glutamyl-alpha-lysine	1.0775	1.3471	0.5048	0.5235	1.4198	1.4341	1.072	1.1042	0.8515	1.1799	1.4435	0.662	0.503	0.917	1.0933	0.5515	0.7326	0.6796	1.4633	1.1054	1.1492	0.7326	0.8913	0.928
gamma-glutamylcitrulline	0.7779	1.0942	0.3174	0.2619	1.1277	1.098	0.9924	0.8029	0.6052	1.1304	1.3979	0.4718	0.7684	1.1753	1.4001	0.7029	0.6773	0.5341	1.2185	1.196	1.6485	1.2958	1.0076	0.9738
gamma-glutamyl-epsilon-lysine	3.1371	2.2714	0.8959	1.118	1.301	3.5006	1.3127	0.7022	1.0305	0.7568	1.679	1.7071	0.9567	0.5137	0.363	0.5225	0.9665	1.4682	0.9695	0.5439	1.0816	0.4541	1.1424	0.4526
gamma-glutamylglutamate	0.7274	1.5326	0.438	0.8468	0.8166	1.0865	0.5287	1.5554	0.9695	1.3863	1.1768	0.7163	0.5108	1.2453	1.0525	0.7855	1.0548	1.0325	1.0305	0.784	0.8159	1.1561	1.0999	0.8235
gamma-glutamylglutamine	1.2398	1.1907	0.4189	0.5629	1.3027	1.4071	1.1639	1.2508	1.002	1.2532	1.6442	0.8042	0.4548	0.7398	1.0609	0.7753	0.8055	0.5937	0.9513	1.1951	1.0092	0.998	0.8398	0.9051
gamma-glutamylglycine	0.7558	1.0832	0.4199	0.6486	0.9233	1.1607	1.0188	1.1316	0.9705	0.9684	1.1604	0.654	0.5672	0.9766	1.0934	0.8801	1.0279	0.8463	1.02	1.0202	1.2301	1.1631	0.9812	1.0799
gamma-glutamylhistidine	1.0081	1.2783	0.6455	0.5928	1.0441	1.3469	1.1056	1.3712	1.1601	0.9996	1.373	0.6089	0.9039	1.0456	0.9656	0.7726	0.7656	0.9304	1.0689	1.0004	0.9179	1.2424	0.9153	0.8241
gamma-glutamylisoleucine	0.6595	1.2395	0.6361	0.6189	0.827	0.8872	1.0118	1.448	1.0763	1.049	1.1069	0.4743	0.678	1.0064	1.1243	1.1223	1.1506	1.1217	0.9936	0.829	0.8473	0.9363	1.1054	0.8823
gamma-glutamylleucine	0.5718	1.1861	0.6317	0.5585	0.8557	1.0738	0.9202	1.5291	1.0681	1.0912	1.2689	0.5123	0.8329	1.1473	1.3041	1.0396	1.0026	0.9351	0.9888	0.9291	0.8935	1.0095	1.1786	0.9974
gamma-glutamylmethionine	0.971	1.4307	0.3869	0.3746	1.3431	1.4812	1.029	0.8265	0.7283	0.9158	1.2735	0.4833	1.5254	1.4067	1.1828	0.6113	0.5715	0.848	1.1538	1.1788	1.4307	1.6777	0.8977	0.9307
gamma-glutamylphenylalanine	0.7381	1.2232	0.7495	0.5796	0.9665	1.1287	0.9313	1.5282	1.0481	1.0311	1.1695	0.6074	0.8634	1.2469	1.0577	0.8621	1.0316	0.9689	1.1539	0.9563	0.7171	1.5099	1.1381	0.9625
gamma-glutamylthreonine	0.8926	1.5205	0.5567	0.5505	1.0761	1.1094	0.9016	1.1025	1.0589	1.0489	1.1085	0.7797	0.7753	1.151	0.9743	0.6921	0.8683	0.8254	1.0468	1.0257	1.3798	0.8163	1.0924	0.8466
gamma-glutamyltryptophan	1.1725	0.9795	0.4734	0.4015	1.2817	1.1411	0.4135	1.1289	0.6952	0.8626	1.1708	0.6044	1.1939	1.6177	1.236	0.472	0.7916	0.8632	1.2486	1.0767	0.9633	1.5907	1.0205	0.7308
gamma-glutamyltyrosine	1.0235	1.1557	0.5222	0.3842	0.9474	1.093	0.602	1.096	0.7356	0.7305	0.9765	0.4252	1.1115	1.2864	1.2671	0.4565	0.5557	1.0356	1.1297	1.1046	1.0579	1.6608	0.913	0.6767
gamma-glutamylvaline	0.5881	1.3211	0.7572	0.6715	0.9261	0.8341	0.9877	1.6071	1.1039	1.0129	0.9586	0.5613	0.7636	1.1164	1.0708	1.0423	1.0123	1.2615	1.0196	0.898	0.9777	1.1883	1.1162	0.9845
gamma-tocopherol/beta-tocopherol	1.6179	0.8673	0.2607	0.1782	2.2741	1.8883	1.2091	0.7096	0.8734	0.9555	1.3348	0.2696	2.176	1.6054	0.7984	0.5732	0.4748	0.8782	1.0445	0.7079	1.4614	1.825	1.3557	1.7517
genistein	0.4258	0.7774	0.4258	0.4258	0.4258	0.4258	0.4258	0.4258	0.4258	0.4258	0.4258	0.4258	0.5848	0.4985	0.7686	0.4258	1	8.9023	1.2555	1.2877	0.6625	23.644	1.0974	1.5257
genistein glucuronide	0.2513	0.2513	0.2513	0.2513	0.2513	0.2513	0.2513	0.2513	0.2513	0.2513	0.2513	0.2513	2.9318	1.0495	0.3774	0.2513	0.3723	16.1842	0.9505	0.2513	0.2513	14.2763	0.2513	0.2513
genistein sulfate	0.5048	0.4284	0.0771	0.1188	0.419	0.9563	0.0771	0.1836	0.1877	0.2138	0.0933	0.2618	4.6106	3.0072	1.966	1	2.3126	15.0907	2.7032	2.0965	1.7328	27.0019	2.1633	1.6156
gentisate	2.1496	3.4112	0.3433	0.7245	1.5084	2.0899	0.3433	0.3433	0.9192	0.3433	0.3433	1	0.6424	0.3433	0.3433	0.3433	0.3433	0.3433	0.3433	0.3433	0.3433	0.3433	0.3433	0.3433
gluconate	0.8744	1.0018	0.5975	0.5592	0.894	0.7773	0.9982	1.3955	1.1521	0.2997	0.9098	0.8232	1.6202	1.7804	1.0137	0.322	0.9517	1.253	1.2182	1.7392	1.0268	1.172	1.9155	0.9714
glucose	1.0086	1.0062	1.222	0.7753	1.1162	1.3382	0.7985	1.2652	1.2658	1.0126	1.3121	0.9165	1.1433	1.2425	0.7806	0.8519	0.7611	0.6813	0.9386	0.9153	0.8439	0.9938	1.1927	0.9184
glucuronate	0.7325	1.1347	1.1519	0.8229	1.0004	1.0576	1.1859	1.3435	1.4858	1.0109	1.249	0.6281	0.8666	0.9413	0.8669	0.9176	0.8423	1.003	0.888	0.784	0.9996	1.1588	1.0541	0.9039
glucuronide of C14H22O4 (2)	1	0.2416	0.2416	0.2416	1.9575	1.7255	0.2416	0.2416	0.2416	1.5992	1.2951	1.5679	0.5362	0.4065	0.2416	0.2416	0.2416	0.2416	0.443	0.2416	0.4376	0.2416	0.2416	0.2416
glutamate	0.6907	1.2638	0.4002	0.956	0.9821	0.948	0.8456	1.2381	1.4307	1.2138	1.0179	1.3829	0.664	0.9337	0.7612	1.3509	1.6237	1.2775	0.6944	0.9318	0.8553	1.4244	1.5208	1.2162
glutamine	0.7476	0.8425	0.627	0.5357	1.1965	1.1803	1.2456	1.2142	1.2153	1.3774	1.3536	0.9542	0.849	0.9254	1.1244	0.9748	1.1569	0.9661	0.926	1.022	0.8503	1.1055	0.978	1.1187
glutarate (C5-DC)	0.543	1.5756	0.9865	0.7509	1.0135	1.2402	0.4074	2.0541	1.314	3.8037	0.8555	0.541	2.6193	3.3171	0.9865	0.787	2.1746	5.2527	0.6362	0.4551	0.633	0.7021	2.4208	2.7017
glutaroylcarnitine (C5)	0.7297	1.1395	0.9279	0.778	0.7283	1.2884	1.0325	0.4461	1.3527	2.2067	1	1.1519	0.8063	0.4461	0.4461	0.99	1.3645	1.5343	0.554	0.4461	0.4461	0.4461	0.9013	1.0316
glutathione, oxidized (GSSG)	0.6789	2.9412	0.5994	1.9626	0.4808	0.9923	0.9162	1.7479	1.8584	1.6181	1.2347	5.0591	1.0077	0.89	0.2301	1.0598	1.7474	1.2371	0.5255	0.3317	0.4815	0.1602	1.6964	0.5039
glycerate	0.6516	0.7941	0.6175	0.4126	1.1781	0.9135	1.0007	1.3623	1.031	1.0591	0.9644	0.7202	1.0608	1.2828	1.0903	0.8252	1.0067	1.3187	0.8116	0.9993	1.0442	0.6472	1.1913	0.8394
glycerol	1.1721	0.8629	0.9467	0.5291	1.0689	1.1534	1.0342	0.9167	1.3416	1.5388	0.781	0.5851	1.2295	1.185	1.0589	0.9679	1.0321	1.5407	1.1455	0.7671	0.7517	0.8462	0.9189	0.8396
glycerol 3-phosphate	0.8576	1.1794	0.5933	1.4461	0.8824	0.9984	0.7367	1.1346	1.0497	2.0294	1.277	1.16	0.6684	1.2035	0.6733	1.0016	1.1632	1.1367	0.6688	0.7861	0.6681	0.556	1.2575	0.9196
glycerophosphoethanolamine	1.0904	1.1686	0.4075	0.7237	1.0054	0.8776	0.9946	0.9598	1.3307	1.2215	0.9656	1.5922	0.783	0.9775	0.5928	1.008	1.2423	0.9521	1.1525	1.0914	1.1277	0.7034	1.4015	0.9354
glycerophosphoglycerol	0.6359	1.1981	0.5923	0.8678	0.9668	1.3548	0.8411	1.4559	1.2074	1.4693	1.7385	1.0837	0.959	1.3663	0.78	0.9475	1.0332	1.1907	0.8373	0.887	0.7496	1.1508	1.5202	0.957
glycerophosphoinositol	2.0787	0.307	0.61	0.3326	0.5817	1.1634	2.5317	2.2994	0.797	0.5895	2.77	1.0963	0.377	1.0784	0.8424	0.45	0.9216	1.9447	3.8153	3.173	5.0773	2.0295	0.7408	0.6712
glycerophosphorylcholine (GPC)	1.1667	1.0387	0.5675	0.7211	1.3027	1.2511	1.2721	0.7801	1.0421	1.0025	1.0195	1.0422	0.8082	0.869	0.8048	0.9925	0.7801	0.6911	0.9975	1.1423	1.6042	0.7664	1.0778	0.7957
glycine	0.6046	0.8742	0.441	0.6993	0.9879	0.8548	1.1253	0.977	1.0954	0.9765	0.8906	0.8193	0.8646	1.0388	0.9992	1.1946	1.3394	1.45	1.0008	1.0997	1.1702	1.4561	1.2332	1.348
glycolate (hydroxyacetate)	0.5851	1	0.2947	0.2548	1.7061	1.2318	0.4416	0.5487	0.6573	0.6845	1.147	0.5108	1.2234	1.1199	0.8077	1.1635	0.7749	0.8798	1.0273	0.2548	1.3945	2.1049	1.5775	2.0026
glycosyl ceramide (d16:1/24:1, d18:1/22:1)	1.368	2.2425	1.6738	1.3262	1.1283	1.4923	0.1325	2.6247	2.1178	0.6976	0.6021	0.4896	0.3183	0.1325	0.519	0.9557	0.8925	1.1981	0.1325	0.4876	0.4897	0.2546	1.1587	1.0443
glycosyl ceramide (d18:1/20:0, d16:1/22:0)	1.0046	0.8244	0.9272	0.6973	1.5309	1.886	1.93	1.3227	1.4471	1.1547	1.086	0.7069	0.7064	0.7407	0.9954	1.2479	1.1477	1.2155	0.715	0.8435	0.8998	0.3903	0.7122	1.0393
glycosyl ceramide (d18:1/23:1, d17:1/24:1)	1.0522	0.6198	0.8319	0.464	2.4492	2.7676	2.2735	1.4412	1.7523	1.6509	1.7433	0.8349	0.464	0.464	0.464	1.0231	0.464	0.9769	0.7317	0.5949	0.464	0.464	0.7658	0.9194
glycosyl ceramide (d18:2/24:1, d18:1/24:2)	1.4643	1.0513	0.8828	0.6915	2.2723	2.0681	1.5589	1.741	1.2536	1.4663	1.4175	0.9325	0.6892	0.7066	0.9133	0.9858	0.8598	1.1741	0.7342	0.7508	0.8891	0.7783	1.0401	1.0142
glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)	0.4969	1.0846	1.3211	0.991	1.5366	1.1298	0.25	1.2433	1.7063	0.8706	0.831	0.5306	0.25	0.3967	0.6039	2.2043	1.1255	2.1461	0.25	0.5304	0.7173	0.7967	1.009	1.8004
glycosyl-N-nervonoyl-sphingosine (d18:1/24:1)	1.5395	1.0083	0.9832	0.794	2.4655	2.1086	1.7597	1.4839	1.3659	1.5232	1.4944	0.9073	0.776	0.7192	0.9589	1.1558	0.7575	1.0604	0.8689	0.8303	0.8791	0.682	0.9917	1.0378
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)	1.5441	0.9276	0.6712	0.5998	2.4535	2.2204	1.7124	1.3772	1.4026	1.7981	1.4015	0.9606	0.8706	0.8943	1.0394	0.9124	0.9295	1.1062	0.6841	0.67	0.8152	0.6275	1.1148	1.1042
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)	2.398	0.5074	0.3569	0.3101	3.5199	3.6907	1.1357	0.7242	0.8623	1.9596	1.9979	1.3215	0.976	1.024	1.2366	0.5591	0.6517	0.6352	1.304	1.0264	1.1667	0.3886	0.4768	0.5775
glycylvaline	0.5991	1.2546	0.5991	0.7265	0.5991	0.5991	0.5991	1.1047	0.5991	1.674	0.5991	0.5991	0.6701	1.2068	0.5991	0.5991	0.8797	2.0126	0.5991	0.5991	0.5991	0.6132	0.5991	1
guanidinoacetate	1.2051	1.3261	0.6826	1.4116	0.8111	0.8691	0.9751	0.7288	0.9658	1.0293	0.9075	1.039	0.9982	1.0018	0.85	0.9128	1.0095	0.9713	1.5367	0.9842	1.0948	1.6816	1.3176	2.3642
guanosine	0.4134	1.9526	0.4134	1.0521	2.4713	0.4134	2.5789	0.4134	0.8959	5.7072	2.2508	1.0362	0.7188	0.9338	0.4134	1.0894	0.4134	0.4134	0.7338	0.9638	0.7193	0.4134	0.4134	0.7302
5'- GMP	0.0514	2.6548	0.0514	3.5122	0.0514	0.0514	0.2061	1.5778	3.019	0.2651	0.1959	5.0355	0.8504	1.7498	0.0552	0.6642	3.2116	1.4136	1	1.144	0.1222	0.2645	2.6495	0.7093
gulonate	0.4277	1.227	1.3498	0.9394	0.7761	0.9065	0.9292	1.7249	1.8035	1.7273	0.6069	0.4006	0.858	1.6108	1.0606	1.1749	1.513	2.5137	0.8777	0.8523	0.823	0.753	1.4202	1.0913
heme	1.0925	4.8675	0.8166	3.6425	0.6006	0.6544	0.8339	3.974	4.5254	0.9075	0.778	7.2266	2.5139	2.7134	0.1293	0.5208	4.6665	2.6327	1.1516	0.2869	0.5038	0.0757	2.2802	0.2252
heneicosapentaenoate (21:5n3)	1.7565	2.325	1.1319	0.3311	1.4356	1.0776	1.6358	0.7766	1.6072	2.0014	0.8247	0.7801	1.3077	0.5314	0.9927	1.0879	0.6119	0.9762	1.5908	0.8979	1.0073	0.6498	0.8524	0.9798
heptanoate (7:0)	0.7927	1.1059	0.8345	0.5829	0.895	0.7628	1.031	1.199	1.1461	1.0347	0.9137	0.932	1.5458	1.4209	0.8046	0.87	1.7723	1.915	1.2677	0.843	0.969	0.8518	1.0642	1.0632
heptanoyl glycine	0.2848	1.0258	0.694	1.4169	0.3815	0.7044	0.6392	2.5641	1.4672	1.3934	0.3053	0.2516	1.1594	2.8145	0.8954	1.9548	3.3089	3.9091	0.7814	0.7511	0.5675	0.9742	3.6069	3.9637
heptenedioate (C7:1-DC)	0.4804	0.3398	0.3398	0.3398	0.9703	1.0995	0.3398	0.3398	0.5465	2.4033	1.245	0.8487	1	1.9709	1.5286	0.3398	2.4153	1.9501	1.1696	0.9766	0.5961	0.3398	0.5027	0.3398
hexadecadienoate (16:2n6)	1.3419	1.1844	1.4172	0.4489	1.0179	0.6888	1.2685	0.6533	1.0755	1.5256	0.3495	0.4954	1.4817	0.6416	1.3108	1.363	0.776	1.5541	1.2681	0.7763	0.8474	0.6821	0.8446	0.9821
hexadecanedioate (C16)	0.98	0.7905	0.6204	0.534	1.1899	1.02	0.5328	0.9739	1.0887	4.0837	0.7247	0.7872	3.2014	2.3532	1.3667	0.8407	2.2379	4.1008	0.977	0.6382	0.7467	1.5366	1.3082	1.0357
hexadecatrienoate (16:3n3)	2.2674	1.915	2.1718	0.8507	0.8821	0.5567	1.818	0.876	1.9552	2.277	0.2793	0.6826	2.4141	0.7512	1.0389	1.1383	0.5798	1.4483	1.2925	0.684	0.797	0.9611	0.9289	1.3197
hexadecenedioate (C16:1-DC)	1.0825	0.8658	0.521	0.4683	0.9829	0.804	0.483	0.9558	1.223	3.3472	0.6975	0.7912	3.2867	1.9346	1.4075	0.8704	2.0587	3.8572	1.0989	0.7691	0.6341	2.9969	1.3225	1.0171
hexanoylcarnitine (C6)	0.7783	0.8299	0.6464	0.6464	0.9951	0.8413	0.7434	0.937	1.0049	1.446	0.3919	0.5477	1.5431	1.6706	1.8824	1.0539	1.4164	1.7086	1.1056	1.1163	0.9548	0.885	1.3095	1.1113
hexanoylglycine (C6)	0.4064	0.5735	0.8292	1.7807	0.4641	0.6146	0.7771	1.3362	1.5059	0.7072	0.2491	0.2337	0.6766	0.9933	1.3519	2.0051	3.3108	2.8866	1.3766	1.248	1.0067	0.8133	1.9994	2.1764
hippurate	41.7531	30.9854	0.3366	1.0692	13.892	9.0772	0.3034	1.2438	1.6371	0.4107	0.434	19.8131	0.72	2.0477	0.3767	0.2292	1.0139	0.5594	3.4521	0.2628	0.2412	0.546	0.9861	1.0226
histamine	0.4715	0.8414	0.0499	0.4673	1.5903	0.9779	0.5765	0.6435	0.6312	1.2828	1.4068	1.0221	0.2951	1.3553	1.432	1.2283	1.0674	0.4736	1.336	2.3051	1.7603	0.6358	1.1261	0.8691
histidine	0.7257	0.7809	0.984	0.5114	1.2374	0.8699	0.9755	1.1663	1.0134	1.0203	1.0063	0.676	0.9727	0.9937	1.2371	1.0941	1.0496	0.9869	1.2318	1.3317	0.8477	1.6354	0.9678	1.2327
histidine betaine (hercynine)	0.1572	1.8536	0.1572	1.2407	0.1572	0.1572	0.1572	1.8032	0.7981	0.1572	0.1572	8.4025	1	1.5114	0.1572	0.1572	2.3733	0.634	0.6672	0.1944	0.2279	0.1572	1.8268	0.3928
homoarginine	1.2341	0.5977	0.4219	0.299	2.0379	2.0464	1.2421	1.0126	1.0083	1.8228	1.7817	0.7483	0.5594	0.801	1.0377	0.4459	0.9917	0.6249	1.4162	0.632	1.3131	0.626	0.8656	1.1738
homocitrulline	0.6953	0.6477	0.3896	0.175	0.8512	1.0013	0.7635	0.9511	0.8207	0.5935	0.8372	0.6934	1.0872	1.2413	1.1181	0.9987	1.2462	1.6632	1.003	1.2517	2.0066	1.8892	1.1235	1.0964
homostachydrine	1.3178	1.3623	0.9652	0.5996	0.8612	1.1453	0.7185	1.2754	1.1417	0.7861	1.1619	1.3616	1.1143	0.9441	0.8051	0.8824	1.0348	0.7066	0.7106	0.4989	0.8578	3.5386	1.1139	1.1698
homovanillate sulfate	0.8647	0.6299	1.5331	0.9271	1.2159	1.1774	0.4718	2.4929	1.0838	3.1582	0.8958	0.7567	1.4211	2.6288	1.0729	0.7419	2.2385	1.3394	1.1731	0.4327	0.195	0.825	0.6247	0.8853
hydantoin-5-propionate	0.4135	1.4624	1.8134	1.8543	0.4809	0.3339	0.5687	1.7423	1.5515	0.6655	0.4881	0.3412	1.1314	0.6923	0.757	1.694	2.9514	3.5979	0.8686	0.5598	0.5771	1.7437	3.3181	2.5364
hydroxyasparagine	1.4385	0.5995	0.4889	0.6077	1.25	1.4122	1.194	1.0394	1.0048	1.3436	1.514	0.9952	0.5193	0.6741	0.9857	1.2414	1.1974	0.8325	0.8958	1.2039	1.5861	0.3931	0.8412	0.8435
hyodeoxycholate	0.241	0.8078	0.241	0.241	1.1618	0.8382	0.241	0.3098	0.241	10.5482	1.8177	2.8272	0.241	0.241	0.241	0.241	0.241	0.241	0.241	0.241	0.241	0.241	0.241	0.241
hypotaurine	0.8282	2.5989	1.053	1.5435	1.0083	0.9637	1.8222	1.7472	2.0295	1.2051	1.1809	0.7476	0.8998	0.8515	0.5812	1.254	1.0476	0.9917	0.5997	0.647	0.6361	3.2727	0.7867	0.8884
hypoxanthine	0.469	9.1087	0.4402	12.2852	1.3441	0.0905	0.9676	1.5521	1.8658	14.3931	0.5869	9.9967	0.4157	4.667	0.1779	1.5984	4.7869	0.4766	1.0324	0.6172	0.2238	0.2737	1.6458	0.5801
imidazole lactate	0.6001	1.9524	1.9089	1.8647	0.523	0.5101	1.7154	1.6545	2.1625	0.5654	0.5304	0.4848	0.8667	0.6965	0.5697	1.7645	1.1333	1.4518	0.6154	0.6831	0.6245	1.2965	1.444	1.2484
imidazole propionate	1.3545	3.5705	0.3167	1.3565	2.2847	0.7982	0.431	0.648	1.437	0.8244	2.1024	1.2772	2.0977	1.5114	0.3252	0.3675	1.0997	1.4163	0.8217	0.3238	0.4608	1.0511	0.9489	0.8077
indole-3-carboxylate	0.9207	2.0701	0.5998	1.0031	1.3387	1.3051	0.6423	1.807	1.2682	1.4958	1.0918	1.4267	0.9969	0.9805	0.678	0.8113	1.7729	1.4008	1.3321	0.8332	0.9465	0.6535	0.9022	0.7808
indoleacetate	2.33	1.0198	1.1432	0.8849	4.8009	2.1328	0.418	0.9477	0.5885	0.9522	1.1044	0.9802	1.6178	1.3729	1.2562	0.5679	0.5335	0.8294	0.8869	1.0207	1.1264	1.1673	0.7286	0.7099
indoleacetylglycine	4.7201	2.6007	1.7908	10.542	3.818	2.2825	0.2788	1.4348	1.1663	0.7443	0.7494	1.0809	0.7101	0.9191	0.4546	0.4723	1.9853	0.7923	0.6756	0.3582	0.4641	0.6844	1.244	1.472
indoleacrylate	2.5529	1.3102	0.4395	0.3431	1.839	1.2453	0.6285	0.5399	0.3631	0.7808	1.2192	1.9589	0.3431	0.3431	0.3431	0.3431	0.3431	0.3431	0.3431	0.3431	0.3431	0.3431	0.3431	0.3431
indolelactate	0.8636	0.7931	1.2928	0.3371	1.7431	1.6266	0.3515	1.2763	1.0891	1.0482	0.7673	0.8785	2.4682	1.7542	1.1036	0.6848	1.1343	1.3346	0.9204	0.7686	0.9518	0.9215	1.252	0.9119
indolepropionate	1.6184	1.4375	0.4045	0.2245	1.2697	1.1979	0.446	0.8021	0.6491	0.5465	1.2932	1.7217	0.2245	0.2245	0.2245	0.2245	0.2245	0.2245	0.2245	0.2245	0.2245	0.2245	0.2245	0.2245
indolepropionylglycine	1.4348	1.8557	0.5198	1.5012	0.651	0.9385	0.1755	1.1331	1.342	0.4701	0.6848	1.0615	0.1755	0.1755	0.1755	0.1755	0.1755	0.1755	0.1755	0.1755	0.1755	0.1755	0.1755	0.1755
indoxyl glucuronide	1.8717	4.4483	0.4966	0.752	0.6073	0.4765	1.0896	1.224	1	0.8867	1.3352	0.4765	0.4765	0.4765	0.4765	0.4765	0.4765	0.4765	0.4765	0.4765	0.4765	0.4765	0.4765	0.4765
inosine	0.0875	3.1943	0.0263	2.8685	1.4807	0.0263	1.4136	0.3434	1.1241	3.8189	1.2188	2.1342	0.3014	1.3074	0.1347	1.2773	0.7325	0.2786	0.7878	1.3739	0.311	0.2277	0.5577	1
inosine 5'-monophosphate (IMP)	0.206	0.7361	0.206	1.7315	0.206	0.206	0.206	0.9376	1.0624	0.3586	0.206	3.5339	0.206	6.0215	0.206	0.3678	1.7136	1.1231	0.206	0.2143	0.206	0.206	2.0648	0.388
isobutyrylcarnitine (C4)	0.4806	1.0431	0.7172	0.4546	0.8474	1.2015	0.2322	2.2039	0.9771	5.1557	0.8794	0.7941	2.3693	3.9643	1.0229	0.5045	1.6589	2.9025	0.6622	0.6371	0.5736	1.7374	1.8753	1.1223
isobutyrylglycine (C4)	1.0716	1.4417	0.5394	1.1658	0.5682	0.7846	0.2365	1.4094	0.2365	0.2365	0.7639	0.7373	1.6609	0.2365	1	0.2365	0.2365	2.5231	1.105	0.7285	0.6378	0.8844	2.0823	2.6714
isocaproylglycine	0.3686	0.8482	0.7461	1.6063	0.4228	0.7576	0.671	1.9277	1.4428	1.4625	0.2581	0.2995	0.7638	1.5555	1.029	1.509	3.3568	2.8373	1.0881	0.9462	0.7373	0.971	2.217	2.4702
isocitrate	1.346	1.1611	0.9802	1.4933	0.9705	1.4166	0.6942	0.8976	1.3097	2.6834	1.0488	1.6016	1.1269	0.939	0.8449	0.9275	0.9492	1.611	1.0107	0.8329	0.9893	0.7312	1.0772	0.6899
isocitric lactone	1.0246	0.8065	0.76	0.8306	0.8556	0.9277	0.5248	1.0175	1.1019	0.9825	0.6886	0.9453	1.545	1.7678	1.0277	1.1355	1.5884	1.3553	1.0573	0.7173	0.8284	0.8718	1.3053	1.1476
isoleucine	0.5164	0.7011	0.6305	0.5014	1.0134	0.7866	0.6989	0.9633	1.0279	1.1798	1.0363	0.5447	1.2169	1.2316	1.3395	1.0853	1.009	1.3965	0.991	0.8924	0.9748	1.2129	1.1399	0.9902
isovalerate (C5)	0.5358	0.9932	0.7829	0.3737	1.0192	0.9106	0.8163	1.2386	0.8903	1.5529	0.774	1.871	1.0783	1.1753	1.2267	1.1887	1.0437	1.8794	1.0438	0.6987	0.6695	1.0068	0.8822	0.8815
isovalerylcarnitine (C5)	0.562	0.7871	0.7062	0.4705	0.871	0.8963	0.7316	1.3305	0.9566	1.8271	0.8854	0.6097	1.6262	1.8865	1.262	0.9231	1.4013	1.3766	1.0759	1.0107	0.9893	1.4076	1.7002	1.136
isovalerylglycine	0.5872	1.6173	0.6581	1.7908	0.5338	0.9198	0.828	1.7783	1.8196	1.8836	0.7943	0.6014	0.906	1.3964	1.0062	1.1269	3.0097	2.3491	0.9938	0.6339	0.6203	0.9054	2.5111	2.3822
kynurenate	0.5007	0.7775	0.6032	1.2525	0.5566	0.6666	0.4518	1.2925	1.1958	0.4796	0.4999	0.3744	1.2119	2.5225	0.9499	0.8916	3.2048	2.0062	1.137	0.8647	1.0501	1.7835	3.0205	2.7151
kynurenine	1.0998	0.5213	0.8596	0.3423	1.5422	1.9419	0.8094	0.9921	1.0071	1.0686	1.2515	0.88	0.9929	1.2938	0.8984	0.5939	0.7185	1.0448	1.6801	1.1622	1.5076	1.2142	0.7823	0.6912
lactate	0.5169	1.1172	0.5236	0.8953	0.9139	0.9862	0.8688	1.5557	1.3174	1.3216	0.9709	0.9365	1.0138	1.2242	0.8861	1.32	1.2674	1.3403	0.7722	0.7621	0.7164	1.054	1.8298	1.3508
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)	0.5125	0.5125	0.691	0.5125	0.8548	0.6699	1	1.1661	1.9144	0.896	0.742	0.5125	1.0558	1.0014	0.9948	1.6273	1.9329	1.0401	0.6994	0.7485	0.7463	1.2083	2.0598	1.6972
lanthionine	0.2683	0.3859	0.2092	0.2092	0.516	0.6507	0.2092	0.2962	0.2659	0.2712	0.2092	0.2092	2.6044	2.0728	0.2092	0.3795	1.1248	1.2524	1.2484	1	1.4437	1.5843	1.9348	2.3178
laurate (12:0)	1.2008	1.7922	1.2807	0.9043	1.0167	0.7355	1.4937	0.7597	1.128	1.6703	0.5708	0.7976	1.1499	0.8115	1.1683	1.4173	2.2554	1.6268	0.8817	0.8518	0.8607	0.8097	0.9802	0.9833
laurylcarnitine (C12)	0.8673	1	1.0878	0.5905	1.1341	0.9095	0.8913	1.0501	1.4384	1.8642	0.5905	0.9152	1.5069	1.7313	2.363	0.9659	1.6809	1.5869	0.845	0.813	0.6866	1.2197	0.9864	0.8245
leucine	0.4789	0.693	0.7179	0.4972	0.9451	0.8303	0.8836	1.2232	0.9259	1.2735	1.0315	0.5844	0.9959	1.1292	1.361	1.2271	1.3639	1.4425	1.0041	0.7371	0.9587	1.3538	1.2039	1.1311
lignoceroyl sphingomyelin (d18:1/24:0)	0.5231	0.6943	1.1325	0.5203	1.6531	0.7935	1.7561	2.0356	1.1382	1.3775	0.7403	0.6083	0.4897	0.9582	1.2583	2.3102	1.5813	1.0418	0.6675	0.7328	0.4367	0.6396	1.0663	1.6553
lignoceroylcarnitine (C24)	0.5153	1.0999	0.8452	0.7299	1.0175	1.1089	1.1765	1.3128	1.448	1.0486	0.5153	0.5153	0.5153	0.5965	0.7067	1.4277	1.0946	0.8802	0.6122	0.6389	0.7597	1	0.9417	1.0839
linoleate (18:2n6)	1.1926	1.3638	1.1016	0.2997	1.0915	0.7012	1.3192	0.6009	1.0216	1.6893	0.5416	0.5084	1.3551	0.6006	1.108	1.1481	0.7651	1.1455	1.3325	0.8055	0.9784	0.5808	0.6977	0.8169
linolenate (18:3n3 or 3n6)	1.3956	1.5741	1.2665	0.3657	1.1605	0.7358	1.2084	0.6049	1.1385	1.5767	0.4554	0.5758	1.5995	0.641	1.0444	1.3026	0.6412	1.2597	1.3802	0.7567	0.8887	0.6142	0.8068	0.9556
linolenoylcarnitine (C18:3)	0.9068	0.8401	1.208	0.5294	1.2662	1.0932	0.7749	1.1628	1.1304	1.401	0.4434	0.8002	1.6171	1.2424	1.4482	0.7954	1.3799	2.3212	0.7097	0.4794	0.5052	1.1374	0.8728	0.7645
linoleoyl ethanolamide	0.9769	1.4791	1.1928	0.2735	1.5541	0.9533	1.3774	1.4186	2.0278	2.5441	0.8177	0.7744	0.9099	1.2024	0.9986	1.0014	0.9624	1.0103	1.567	0.7813	0.6589	1.3247	0.7709	0.9306
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]	0.69	0.6897	0.9414	0.1979	1.1585	1.0936	1.0086	1.6014	1.1108	0.9134	0.7734	0.4795	1.1166	0.9914	0.9745	2.2013	0.962	1.9181	1.2792	0.8583	0.9423	1.5336	1.5018	1.3979
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]	1.0009	0.9991	1.1261	0.4625	0.9372	0.9954	1.2582	1.308	1.3839	0.9547	0.6592	0.6166	0.7985	0.81	1.0784	2.4029	1.0717	1.6075	0.9146	0.658	0.5987	1.3848	1.7364	1.2632
linoleoylcarnitine (C18:2)	0.8353	0.6224	1.118	0.5416	1.2862	1.1524	0.9681	1.0319	1.3778	1.5194	0.529	0.714	1.6777	1.2728	1.3369	0.8885	1.667	2.4544	0.7903	0.6233	0.5981	1.1475	0.8782	0.9105
linoleoylcholine	0.3877	0.3877	0.3877	0.3877	1.992	0.758	6.2238	0.6549	0.4874	0.8061	0.9443	0.3877	1.0557	0.4982	1.3006	0.6358	0.517	0.6787	2.6186	3.5778	7.1969	3.7844	1.3732	1.312
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]	0.908	0.9232	0.9155	0.1409	2.2377	1.3826	0.9306	1.9033	0.7889	0.9992	1.3361	0.8706	0.8954	0.813	1.0138	2.532	0.6882	1.0008	1.1317	0.7897	1.2842	1.581	1.1937	1.611
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]	0.9041	1.6037	0.6309	0.579	1.5218	1.1732	0.843	1.5339	1.0845	0.9922	0.964	1.0635	0.8879	0.5702	0.7531	2.079	0.6217	1.0078	0.6264	0.4728	1.0623	1.0732	1.7281	1.201
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]	1.1934	2.1851	0.5187	0.3662	2.1734	1	0.5287	1.5465	0.5525	0.5115	0.8659	0.7345	3.6457	0.6938	0.7393	3.3215	0.3662	1.1704	0.7849	0.5117	1.9409	2.1354	1.9412	1.7428
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]	0.7587	2.3326	0.5771	0.4795	1.7115	1.3076	0.7002	1.5281	0.685	1.0066	0.6728	0.8796	2.7698	0.7579	0.9934	2.4265	0.6277	1.4335	0.8666	0.5307	1.6414	1.8242	2.3286	1.5406
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]	1.0597	1.5663	0.6118	0.1745	1.7065	0.9625	0.4716	1.656	0.7405	0.6568	0.7128	0.5555	2.317	0.7221	0.9519	2.6506	0.6563	1.3483	1.0375	0.5268	1.7319	1.6304	1.8036	2.1268
lysine	0.8071	0.7555	0.6386	0.4132	1.371	1.0657	0.9561	0.9307	0.9941	1.1065	1.1302	0.7341	0.9696	1.0682	1.2311	0.7175	0.9115	1.0446	1.2133	1.0704	1.02	0.9596	1.0059	1.1233
malate	0.5884	1.2577	0.7565	0.7719	0.3962	0.9965	0.3739	1.4088	1.0312	1.6596	1.3602	0.9771	1.0035	1.8927	0.8014	0.7031	1.5187	1.6859	0.7005	0.4734	0.5333	1.1942	1.4354	1.1493
maleate	0.8624	1.8423	0.9045	1	0.6675	0.6952	0.6347	0.9353	0.6347	1.1634	0.8315	0.9506	2.7571	2.3024	0.8909	0.7423	1.138	1.6405	1.8502	0.6446	1.2431	1.526	1.7289	1.4536
malonate	0.7148	0.9701	1.3805	0.6985	0.8156	0.9578	0.8668	2.4387	2.9179	1.9475	0.5982	0.6109	1.0674	1.4519	1.8555	1.448	1.7291	3.0497	1.5688	0.9582	0.9844	1.0041	0.8949	0.9959
malonylcarnitine	0.4797	1.1237	0.6849	1.2088	0.7286	0.8763	0.7363	1.2687	1.2851	2.2327	1.2788	1.3194	0.8106	1.3338	0.5565	1.434	1.6428	1.2659	0.5331	0.4092	0.3224	0.6097	1.3542	0.8588
mannitol/sorbitol	1.0068	1.0744	0.6462	0.6553	0.8267	0.9932	0.6573	1.2984	1.2019	0.9741	0.8187	0.681	1.2297	1.4479	0.8831	0.8687	1.2769	1.6569	0.9357	1.0658	0.7696	1.1803	1.3417	1.2811
mannose	0.9578	0.8367	1.1481	0.6544	1.3946	1.3524	0.9793	1.1131	1.1284	1.0006	1.0778	0.7601	1.0511	0.9994	0.9507	1.248	0.9223	0.8931	1.071	1.2793	0.9994	1.0123	0.9986	0.8716
margarate (17:0)	1.3184	1.8769	0.9623	0.5628	1.3259	0.9421	1.1009	0.8009	1.1614	1.8154	0.9666	0.8236	1.2346	0.6985	1.0731	0.972	1.0335	1.147	1.5085	0.853	1.028	0.8012	0.8316	0.8259
margaroylcarnitine (C17)	0.9874	0.8915	0.9612	0.4869	1.6506	1.3829	1.1256	1.1567	1.0981	1.3422	1.0038	0.9962	0.9195	1.1928	1.3556	1.1551	1.6823	1.4845	0.9094	0.7334	0.6239	0.8719	0.764	0.8259
mead acid (20:3n9)	2.8569	2.1015	0.8622	0.3945	1.7084	1.1891	2.3989	0.7808	1.455	2.2776	1.154	0.9342	1.5768	0.69	0.9503	0.7799	0.6277	0.8646	2.0059	1.0497	1.5998	0.6706	0.9233	0.664
methionine	0.7654	1.0025	0.5964	0.4623	1.1818	1.1618	0.9607	0.8424	1.0379	1.1322	1.0854	0.7295	1.8684	1.2552	0.9233	0.827	0.796	1.3123	1.0183	0.9975	1.0332	1.4734	0.9466	0.9349
methionine sulfone	0.9383	0.5816	0.2204	0.1419	1.0027	0.9973	0.4627	0.5868	0.5931	1.0488	0.914	0.7731	1.0159	1.0622	1.3941	0.6102	1.1527	0.8895	1.1639	1.1525	1.409	1.2195	1.0532	1.1487
methionine sulfoxide	0.7593	1.3309	0.5302	0.5507	0.843	0.848	0.6888	0.7797	0.9138	0.5888	0.5142	0.6233	2.8121	2.3161	1.0862	0.8857	1.1945	1.8347	1.5301	1.3069	1.5174	2.3898	1.4892	1.6795
methyl glucopyranoside (alpha + beta)	0.5157	0.8413	0.5227	0.5417	0.9162	0.7976	0.9243	1.2897	0.8922	1.0134	0.9544	0.401	0.6217	1.3187	1.5236	1.5714	1.2978	1.7742	1.195	0.9866	1.1341	2.4018	1.5036	1.551
methyl indole-3-acetate	1	2.6914	0.2997	1.6667	0.9598	0.611	0.2366	1.5005	1.3933	0.4229	0.6018	4.6697	3.4126	3.1804	0.2593	0.2366	2.3574	0.7241	2.0304	0.4989	1.1574	0.2578	1.4331	0.2507
methylmalonate (MMA)	0.8632	1.1197	0.9727	0.5974	0.8929	1.1235	0.8402	1.4968	1.4044	1.6413	1.461	0.8369	1.0273	1.1941	0.8738	0.8666	1.1963	1.3368	0.9319	0.8382	0.9078	0.9386	1.4633	1.2221
methylnaphthyl sulfate (1)	0.1246	0.1246	0.1246	0.1246	0.1246	0.1246	0.1246	0.1246	0.1246	0.1246	0.1246	0.1246	0.1246	1	2.3978	0.9818	1.9019	0.1246	0.1246	0.1246	0.1246	0.1246	0.1246	0.1246
methylphosphate	0.353	0.8957	0.5515	0.7403	1.1384	0.7226	0.5069	0.963	1	1.0666	0.9374	2.2431	1.3262	1.4351	0.9317	0.353	1.5193	1.1478	0.9068	1.0693	1.1306	1.4466	1.0936	0.6739
methylsuccinate	1.026	1.6243	0.5202	1.0896	0.8258	0.9965	0.8782	1.1855	1.3568	1.9625	0.9137	1.0035	0.7944	1.0838	0.761	0.5567	1.3012	1.0639	0.6888	0.4774	0.5854	0.585	1.039	1.238
mevalonate	0.9206	1.0204	0.6867	0.5006	1.0348	1.0975	0.9346	0.8466	0.8947	0.9278	0.933	0.8472	1.3807	1.2268	1.3687	0.9353	1.0772	1.5058	1.1697	0.9796	1.2907	1.2649	0.9383	1.0866
mevalonolactone	0.7771	1.0879	0.9882	0.5757	1.0618	0.7383	0.8944	0.8959	1.0021	1.2301	0.7872	1.7001	1.1828	0.9075	0.9006	1.0148	1.0855	1.9616	1	0.9378	0.8416	1.2394	0.5757	1.175
myo-inositol	0.7475	1.3195	0.5962	0.935	1.0618	1.1846	0.9738	1.0262	1.317	1.811	1.3386	1.2718	0.7143	0.7903	0.6815	1.5523	1.3557	0.8671	0.6595	0.9376	0.8446	0.5448	1.3299	1.0661
myristate (14:0)	1.3427	1.6547	1.303	0.3937	1.0401	0.5978	1.5485	0.5872	1.4181	2.1931	0.468	0.6834	1.5566	0.6664	1.2625	1.4803	0.8633	1.2785	1.5106	0.9424	0.9599	0.6965	0.8779	0.9411
myristoleate (14:1n5)	1.0349	0.9651	1.3397	0.484	0.8569	0.5677	1.1636	0.5518	1.1371	1.714	0.2864	0.5115	1.6625	0.7348	1.4168	1.4672	0.9309	1.8844	1.2625	0.7905	0.7491	0.7234	1.0752	1.0626
myristoleoylcarnitine (C14:1)	1.0086	0.6616	1	0.5569	1.0731	0.8548	0.7477	1.0064	1.2311	1.3699	0.5569	0.6547	1.7725	1.5955	2.1369	0.9141	1.5545	1.9734	0.9693	0.7522	0.6604	1.0935	0.9442	0.7532
myristoylcarnitine (C14)	0.8625	0.7803	1.3739	0.5127	1.1047	1.0725	0.8212	1.1287	1.2586	1.6492	0.628	0.7996	1.4561	1.353	1.7521	0.9275	1.6256	2.5196	0.9215	0.6799	0.5828	1.2477	0.8485	0.6814
N-(2-furoyl)glycine	1.1532	1.8414	0.4264	1.2217	0.2861	0.4309	0.2801	0.7642	1	0.2801	0.2801	0.5496	1.3574	1.4469	0.5485	0.329	2.0293	1.2546	1.1016	0.2801	0.4417	0.8248	1.5545	1.8038
N,N,N-trimethyl-5-aminovalerate	7.8749	6.5616	2.6704	1.904	9.0632	6.3669	1.2934	1.6439	2.0768	3.3071	2.4979	3.3718	0.6799	0.7066	0.6288	0.3497	0.4384	0.4176	0.6292	0.6414	0.6462	0.3988	0.3538	0.3302
N1-Methyl-2-pyridone-5-carboxamide	1.0454	0.5601	1.1444	0.4104	1.0019	0.741	1.1901	1.1447	0.9981	1.0805	0.6173	0.5677	0.847	0.7568	0.7722	1.1225	1.7526	0.667	1.2095	1.0922	1.0153	0.8861	0.7856	1.2469
N1-Methyl-4-pyridone-3-carboxamide	0.7432	0.5697	1.0749	0.5272	0.8773	0.733	0.9834	1.1788	1.1161	1.247	0.6189	0.6577	0.9557	0.8589	0.6923	1.2509	1.8225	1.029	1.0166	1.0777	1.121	1.1229	0.7321	1.0565
1-methyladenosine	0.7607	0.659	0.707	0.8875	1.5964	1.4129	1.3019	1.2055	1.5322	0.9189	0.9972	0.7916	0.7569	1.0028	1.1411	0.9703	1.0546	1.4169	1.0683	1.0372	0.8593	0.9517	1.114	0.8005
N1-methylinosine	1.0893	0.5445	0.7996	0.7502	1.283	1.4324	1.0335	1.2491	1.1473	0.9988	0.9208	0.8884	0.8606	1.0753	1.0012	0.855	1.4287	1.1014	1.0062	0.8451	1.333	0.939	0.8833	0.7041
N2,N2-dimethylguanosine	1.0646	0.8683	0.8386	0.6023	1.8242	1.5073	0.921	1.3687	1.4074	1.0692	1.3467	0.6642	0.9011	0.758	0.8168	0.9354	1.1485	1.393	1.1904	0.7782	0.6934	2.3012	1.1146	0.8727
N2,N5-diacetylornithine	0.7267	1.0097	0.7324	0.8217	0.6329	0.9481	0.6862	1.535	1.6006	0.8428	0.8482	0.6072	1.3002	1.9174	0.9903	1.1634	2.3367	1.4157	1.2573	0.829	0.7755	1.5279	1.7123	1.6705
N2,N6-diacetyllysine	0.6026	0.8926	0.8936	0.6758	0.6396	0.8889	0.4739	1.146	1.1967	0.8735	0.5737	0.465	1.5824	1.7279	1.1064	1.2415	2.0574	1.6442	1.3514	0.8282	0.813	1.8201	1.6131	1.9424
N2-acetyllysine	0.6541	1.0908	0.3751	0.6365	0.8798	0.7661	0.6154	1.0718	1.0256	0.9386	0.5604	0.5782	1.2164	1.1935	0.8677	0.9744	1.4248	1.579	1.1282	0.8993	1.0639	1.4031	1.5709	1.4836
N6,N6,N6-trimethyllysine	0.6877	1.3516	0.4234	0.7254	1.0919	0.9461	0.706	1.6677	1.9781	1.0539	1.0671	2.6392	1.0857	1.5808	0.7902	0.8176	1.79	1.4781	0.9178	0.7311	0.8665	0.7682	1.6253	0.8405
N6-acetyllysine	0.663	0.6883	0.5277	0.2284	1.0422	1.0555	0.8266	0.9895	0.91	0.99	0.7792	0.5479	1.01	1.1273	1.0468	0.9565	0.9868	1.4173	1.1542	1.1358	1.1971	1.4606	1.1218	1.1346
N6-carbamoylthreonyladenosine	1.0273	0.8908	1.0291	0.9709	1.7016	1.6551	1.0283	1.89	1.7973	1.5598	1.336	0.7601	0.6033	0.9727	0.8346	1.1297	1.3537	0.8036	1.0383	0.6212	0.9029	0.8602	0.6668	0.8829
N6-carboxymethyllysine	0.761	0.8012	0.2971	0.5555	0.5355	0.7266	0.2851	0.9098	0.9338	0.6502	0.5029	1.3682	1.0977	1.6557	1.027	0.973	1.5046	1.3019	1.347	1.0328	1.44	1.3826	1.7465	1.5466
N6-succinyladenosine	0.6369	1.2029	1.0333	0.7657	0.3623	0.3516	0.3403	1.2557	1.2972	0.9667	0.4761	1.0876	1.4932	1.5221	0.3403	0.3403	1.6742	1.8549	0.3403	0.3403	0.3403	0.3403	0.8017	0.4707
N-acetyl-1-methylhistidine	0.6478	0.8653	0.9161	0.9912	0.7915	0.9851	0.9483	1.9866	1.779	1.2159	0.8612	0.7182	0.9966	1.0757	0.886	1.6055	2.5586	1.7215	1.0475	0.7901	1.0034	1.2562	1.4086	1.4962
N-acetyl-2-aminooctanoate	0.5574	1.0365	1.0345	0.4237	0.4511	0.6134	1.7382	1.9135	1.8092	1.0371	0.5527	0.4477	0.4819	1.0829	0.8572	0.9321	2.2895	2.2552	0.9655	0.5711	0.6543	3.3222	1.1943	1.773
N-acetyl-3-methylhistidine	0.3754	0.3023	1.3929	1.1146	0.5201	1.0012	1.3409	1.2786	0.9988	2.1318	1.3296	0.5163	0.9294	1.0771	1.0838	0.8043	1.6135	1.6841	0.7447	0.7565	0.897	1.1186	0.7808	0.9116
N-acetylalanine	0.8849	0.9178	0.9124	0.5503	1.2867	1.3992	0.8917	1.2307	1.1249	1.3987	0.9709	0.7775	1.2297	1.2875	0.9398	0.9261	0.9102	1.4233	1.0962	0.8389	1.0291	1.3244	1.1613	0.9464
N-acetylarginine	0.5122	1.2007	0.6996	0.6491	0.8728	0.8303	0.7177	1.0677	1.0571	0.6963	0.7656	0.5741	1.0491	1.2227	1.1399	1.0166	0.9834	1.2858	1.1648	0.6997	0.8808	1.4025	1.5549	1.7361
N-acetylasparagine	0.7474	0.9549	1.7434	0.9753	0.6342	0.9888	0.7012	1.2313	1.2523	1.1833	1.0105	0.7957	1.3366	1.4223	0.9207	0.8601	1.1922	1.3397	1.24	0.8291	0.9028	1.5507	1.2721	0.9895
N-acetylaspartate (NAA)	0.7838	1.1365	0.7897	0.9265	0.7077	1.423	1.7148	2.1753	1.411	1.4063	2.6551	3.1277	0.5236	0.9124	0.8737	1.2339	1.2282	0.9093	0.9818	0.7721	0.7468	1.3388	1.0182	0.971
N-acetyl-aspartyl-glutamate (NAAG)	0.5968	1.1697	0.5548	0.5646	0.9174	1.3284	0.9858	1.3607	1.523	2.0137	1.7481	1.7046	0.5536	0.909	0.8715	1.389	1.1742	1.3616	0.8968	0.8834	0.7595	0.7663	1.1237	1.0142
N-acetyl-beta-alanine	0.7102	0.8175	1.2218	0.748	1.5267	1.3465	1.1702	1.7037	1.7193	1.1551	1.8773	0.6731	1.0161	0.8999	0.7657	0.8036	0.9839	0.7979	1.7681	0.9432	0.9427	1.6393	1.3471	0.7244
N-acetylcitrulline	0.5065	0.6688	0.9569	0.3976	0.7058	0.616	0.45	1.0431	0.7354	1.2354	0.5652	0.4094	1.2449	1.5644	1.1756	1.1608	1.5121	1.1301	1.2572	0.9326	0.7738	1.5826	1.129	1.5138
N-acetylglucosamine/N-acetylgalactosamine	0.687	1.1267	0.681	0.8337	1.0484	1.3262	0.6699	1.1242	1.2693	1.6651	1.7333	1.0494	0.782	1.1043	0.6654	0.9485	1.3561	1.4521	0.692	0.7332	0.6569	0.5816	1.3597	0.9516
N-acetylglucosaminylasparagine	0.6522	0.9185	0.3515	0.5587	0.6406	1.0378	0.5001	1.2367	1.3798	1.6135	1.2351	2.0383	0.3226	1	0.2594	1.0094	1.377	1.0233	0.3216	0.2594	0.2594	0.2594	1.2615	0.483
N-acetylglutamate	0.4873	0.7962	1.1196	0.6073	0.6535	0.7896	0.5187	0.7969	1.1806	1.1783	0.6294	0.4623	1.7693	1.0695	1.0435	0.7663	1.3784	1.4563	1.3224	0.9886	1.0114	0.8147	1.3087	1.1232
N-acetylglutamine	0.6065	1.7355	1.6045	1.6204	0.8774	1.0895	1.22	1.762	2.1888	1.9759	0.9105	0.7381	0.6932	0.6744	0.7211	0.907	1.1089	1.289	0.6802	0.7808	0.5631	0.6264	1.1357	1.1359
N-acetylglycine	0.4145	0.3383	0.5919	0.5636	0.752	0.8653	1.3456	1.1078	1.3149	1.1404	0.5106	0.3999	0.3713	0.897	1.1649	1.8309	1.6358	1.4157	1.3263	1.0378	1.0404	0.5738	0.9622	1.2506
N-acetylhistidine	0.6194	0.7729	1.9741	0.7832	1.049	0.9282	0.7566	1.8457	1.1858	1.2435	0.8922	0.4654	1.3137	1.3451	1.0836	0.9319	1.2568	0.8662	1.3914	1.2881	0.6182	0.951	0.6588	1.125
N-acetylisoleucine	0.4215	0.8557	1.0435	0.543	0.6168	0.86	0.4702	1.1709	0.9603	1.0752	0.9066	0.3947	1.2771	1.7137	1.2275	1.0248	1.0167	1.6409	1.0153	0.6448	0.6767	1.3004	1.2077	0.9847
N-acetyl-isoputreanine	0.5627	0.5627	0.5627	0.6103	0.5627	1.1833	0.5627	0.5627	0.5627	0.5627	0.6326	0.6292	0.7248	0.5627	1.2613	0.917	1.0874	2.0124	1.3694	0.8156	1.4362	1.083	0.5627	0.5627
N-acetylkynurenine (2)	0.7448	0.5471	1.0423	0.2825	1.0294	1.4564	0.4936	1.2802	0.9917	1.003	1.0166	0.725	1.3102	2.2913	0.8706	0.6427	0.997	1.4024	1.6522	0.862	0.8632	2.3927	1.02	0.7379
N-acetylleucine	0.2948	0.8924	1.2725	0.426	0.532	0.913	0.4267	1.6384	1.079	1.4052	1.1251	0.4194	1.4991	2.1008	1.1865	0.78	1.0117	1.6261	0.9883	0.5221	0.5566	1.557	1.187	0.8094
N-acetylmethionine	0.6222	1.0312	0.9688	0.4735	0.8358	1.3323	0.5132	1.4059	1.1522	1.344	1.4331	0.7444	1.7389	2.7182	0.9282	0.6512	0.8402	1.4483	1.1351	0.6925	0.7498	2.0484	1.2592	0.867
N-acetylmethionine sulfoxide	0.6002	2.8323	0.4877	1.8364	0.462	0.8592	0.1901	1.1762	1.4391	0.9155	0.7625	1.1151	2.5823	2.4919	0.8371	0.5441	1.7133	2.0741	1.0845	0.3547	0.6621	1.517	1.3069	0.8798
N-acetylneuraminate	0.7393	1.0812	1.0126	0.5454	1.0317	1.2556	0.8087	1.7813	1.6862	1.9281	1.07	1.5432	0.9874	1.3124	0.7464	0.8087	1.3163	1.7984	0.8551	0.8798	0.6984	0.7142	0.9823	0.7211
N-acetylphenylalanine	0.3804	0.4534	0.6884	0.3071	0.6859	1.064	0.6021	1.3137	0.9916	1.539	1.0622	0.5542	1.6424	2.2171	1.2442	0.7546	1.3029	1.1798	1.0087	0.6979	0.7257	1.955	1.0084	0.82
N-acetylputrescine	1.4316	1.1848	0.459	1.0863	1.7779	1.2221	0.7877	0.7125	1.3797	1.07	1.2224	0.5661	0.987	0.8235	0.4862	0.6684	0.9245	1.7034	1.0542	1.013	0.787	1.2328	0.8293	0.819
N-acetylpyrraline	1.053	2.2725	0.45	0.8022	0.5699	0.947	0.2491	0.7103	1.4844	0.2381	0.2427	0.4052	4.1939	3.4468	0.5131	0.5285	1.7679	2.572	1.6094	0.843	1.095	4.1259	2.7115	2.7136
N-acetylserine	0.8238	1.1569	1.4812	0.8229	1.1518	1.1489	0.8769	1.2795	1.2992	1.2129	1.0072	0.8291	0.9576	1.0453	0.6944	0.8653	0.9838	1.3942	0.9928	0.8427	0.8525	1.0523	1.1474	0.9449
N-acetyltaurine	0.7714	0.9351	1.3966	0.859	1.0201	0.7486	0.5356	1.3931	1.1937	1.7013	0.8019	0.9792	0.8488	1.3981	1.2756	1.3241	1.7526	1.4436	1.1651	1.0307	0.5906	0.764	0.7803	0.9799
N-acetylthreonine	0.6908	1.0826	1.1632	0.9171	1.024	1.0486	0.8725	1.2926	1.2514	1.3019	0.8366	0.6957	0.9666	1.0829	0.8568	0.9241	0.9071	1.3602	1.0683	0.8346	0.9185	0.976	1.2283	1.1684
N-acetyltryptophan	0.5683	0.5147	0.764	0.339	0.9014	1.0801	0.4431	1.4085	0.9935	0.8667	1.0065	0.5212	2.1515	3.6536	1.6188	0.7562	1.3156	1.7192	1.7328	0.9426	0.8701	2.9075	1.4711	1.1703
N-acetyltyrosine	0.7254	0.4529	1.154	0.237	0.8298	1.2737	0.3042	1.6194	0.833	1.0956	0.9254	0.3511	2.7249	2.8417	1.489	0.4725	0.6277	1.8043	1.4077	1.0284	0.9716	3.8148	1.2989	0.6676
N-acetylvaline	0.4657	0.7549	1.2095	0.4842	0.7582	0.8291	0.5347	1.3693	1.011	1.099	0.9619	0.4867	1.0702	1.3568	1.061	1.0984	1.1202	1.7111	0.8815	0.6786	0.6705	1.2321	1.0619	0.989
N-alpha-acetylornithine	0.686	1.9211	0.237	0.7446	1.6396	0.8466	0.3301	0.7349	1.5155	1.3662	0.6017	1.2303	1.1868	1.231	0.7809	0.9246	1.277	1.2178	0.8776	0.3504	0.9732	1.0268	1.5159	1.0989
N-behenoyl-sphingadienine (d18:2/22:0)	0.4858	2.51	1.2461	1.5594	0.7054	0.5861	1.3285	1.8699	1.7271	0.5112	0.2747	0.2816	0.3491	0.4833	0.7539	2.8401	1.7299	2.9667	0.6487	0.7478	0.4627	1.2494	3.2388	3.3123
N-delta-acetylornithine	0.8478	0.9591	0.6969	0.3399	1.1932	0.8911	0.8689	1.2421	1.0412	1.0062	0.9938	0.6909	1.3027	1.3139	1.2551	0.9804	0.9938	0.9028	1.519	1.4823	1.3022	1.2775	0.895	1.342
N-formylanthranilic acid	1.6038	1.3935	0.6286	0.7742	0.8672	0.6712	0.5149	1.2454	0.7221	0.9327	0.7087	3.4053	1.4714	3.418	1.1871	0.5717	1.2326	0.971	1.2739	0.699	1.029	1.3836	1.3585	0.9574
N-formylmethionine	0.662	1.8196	1.1187	1.8208	0.8551	0.8756	0.966	1.5663	1.4885	1.034	0.9438	0.6862	0.7776	0.9628	0.5687	1.1277	1.3612	1.4012	0.6967	0.5145	0.526	1.0959	1.6228	1.3729
N-formylphenylalanine	0.524	1.5327	0.1889	0.1889	0.1889	0.7882	0.1889	0.1889	0.1889	1.4978	0.1889	1.3716	1.347	1.582	0.6736	1.0557	1.6833	1.7056	0.8705	0.1889	0.427	0.7483	1	0.9488
N-glycolylneuraminate	0.5087	1.0234	2.0247	1.138	0.5059	1.0933	0.8717	2.4288	2.4732	1.201	1.1172	0.9798	0.4097	1.2304	0.196	0.8743	1	1.4972	0.196	0.3564	0.2874	0.6349	1.4442	0.85
nicotinamide	0.5664	0.8257	1.6286	0.865	1.0532	0.7865	0.9109	1.2962	1.0435	1.8801	1.1105	1.5369	1.3781	1.0401	0.8572	1.2731	1.6232	0.9599	1.2197	0.6606	0.7079	0.4624	0.8229	0.9062
nicotinamide N-oxide	0.7596	0.6873	0.49	0.791	1.0252	0.9511	1.718	0.8677	1.6371	0.9748	1.1948	0.5997	1.1857	0.7479	0.9315	1.6273	1.9305	1.0285	1.7553	1.4934	1.5641	0.3894	0.6923	1.1812
nicotinate ribonucleoside	3.1895	2.0341	0.4645	0.4645	1	0.7562	0.4645	0.4645	0.4645	1.042	0.597	0.9837	1.8384	0.5912	0.4645	0.4645	0.4645	2.1659	0.4645	1.2028	0.4645	0.808	0.4645	0.4645
nisinate (24:6n3)	1.6945	3.412	1.0088	0.3292	1.5804	1.0439	1.4551	0.9871	1.7146	1.613	1.1167	0.906	0.9454	0.4931	0.7649	0.9471	0.4515	0.8578	1.3735	0.9669	1.0688	1.0768	0.9912	0.7308
N-linoleoyltaurine	0.7636	1.1531	0.6252	0.3718	1.3737	0.9838	1.0734	1.0162	1.7086	1.8736	0.8978	0.5578	0.9122	0.5545	0.8125	1.2033	1.6798	3.7096	1.2582	0.6851	0.6607	1.1217	0.9414	1.0975
N-methylproline	1.5583	2.3655	0.7805	0.5073	1.837	1.2341	1.6509	1.6461	1.9902	1.9786	2.8905	1.3408	1.0785	1.1494	0.6737	0.5468	0.4743	0.5245	0.5312	0.5527	0.6321	0.5789	0.5119	0.9215
N-monomethylarginine	0.9548	0.6808	0.2065	0.1945	1.3966	1.7393	0.6226	0.8407	0.9678	1.1324	1.1461	0.689	0.8866	0.8814	1.3182	0.7101	0.7255	1.2054	1.2253	1.0716	1.0322	1.4047	1.1657	1.1745
N-octanoylglycine	0.3359	0.525	0.9498	0.7584	0.6284	0.743	0.7618	1.3092	1.4338	1.0151	0.294	0.1835	0.6914	1.4392	1.6011	1.8528	2.3226	4.2447	1.4537	1.3009	0.9849	0.8839	1.6322	1.7198
N-oleoyltaurine	0.8141	1.086	0.6161	0.3315	1.0976	1.0046	0.9985	0.8508	1.7196	2.0603	1.0501	0.6324	0.6491	0.5667	1.0015	1.1494	1.57	2.489	1.2251	1.0222	0.7195	0.8636	0.7094	0.8685
nonadecanoate (19:0)	0.828	1.4955	1.0714	0.434	1.7074	0.8583	1.2884	1.2439	0.8838	2.6173	0.7064	0.6859	0.8897	0.7886	1.2562	1.4298	1.7988	0.9906	1.5855	0.9427	0.6835	1.0094	0.6828	1.3155
N-palmitoylglycine	0.4835	1.427	0.3681	0.3555	0.7976	0.6964	0.8952	1.0362	1.6212	1.5045	1.0266	0.5779	0.697	0.8257	1.075	1.195	1.4794	2.2296	1.4601	0.8393	0.9722	1.1357	0.9734	1.0914
N-palmitoyl-sphinganine (d18:0/16:0)	0.6511	1.5107	0.3624	0.6072	1.2417	0.9435	0.5005	1.7128	1.0346	1.0202	0.6578	0.9586	3.0812	1.3605	0.9894	0.6062	0.9164	0.8029	1.0194	0.7129	1.0106	1.6317	1.122	1.7419
N-palmitoyl-sphingosine (d18:1/16:0)	1.0099	1.034	0.3424	0.4492	1.0952	1.208	0.5993	1.1933	0.9144	1.0644	0.5102	0.7264	1.3526	1.0055	1.0567	0.9945	0.8307	1.1014	0.8524	0.587	0.8988	0.9284	1.2203	1.2529
N-palmitoyltaurine	0.6068	1.6954	0.2642	0.2642	0.9602	1.1196	0.9935	1.0065	1.822	2.2638	1.2775	1.1458	0.2642	0.3914	0.8693	0.9822	1.5559	3.5256	1.2008	0.6611	0.7659	1.0271	0.9532	0.783
N-stearoyl-sphingosine (d18:1/18:0)	2.2072	0.697	0.4499	0.4868	2.5533	2.4241	0.4881	1.1459	0.8155	1.922	1.2358	1.3136	0.7927	1.2175	1.3703	0.7834	1.0381	0.8681	1.8263	0.9619	1.0631	0.4416	0.4636	0.6241
N-stearoyltaurine	0.7851	2.407	0.5258	0.5258	1.1912	0.9797	1.0203	0.744	1.8768	2.5221	1.7662	1.0942	0.6779	0.5258	0.5502	0.8621	1.1911	1.518	1.3721	0.715	0.5479	0.7526	1.1083	0.8268
o-cresol sulfate	0.0975	0.0975	0.0975	0.0975	0.0975	0.0975	0.0975	0.0975	0.0975	0.0975	0.0975	0.0975	0.2382	2.4641	1.4891	1	3.2451	0.2363	0.0975	0.0975	0.0975	0.0975	0.0975	0.0975
octadecadienedioate (C18:2-DC)	0.9052	0.6892	0.7209	0.4929	1.669	1.0302	0.5285	0.8759	0.8364	2.696	0.563	1.0007	1.886	1.4563	1.1966	0.8688	1.7001	3.2517	1.1478	0.7241	0.5823	2.4179	1.2677	0.9993
octadecanedioylcarnitine (C18-DC)	0.8565	1.0288	0.6148	0.4579	1.2936	1.098	1	0.7959	0.9036	1.6916	0.4579	0.9641	1.2089	1.2841	1.2331	0.5749	1.1225	1.0588	0.6054	0.4579	0.4579	1.4507	0.7509	0.8017
octadecenedioate (C18:1-DC)	1.3917	1.3769	0.3751	0.4785	1.5653	0.5761	0.6965	0.9076	0.7657	3.5757	1.1167	1.1986	1.2202	1.3733	0.5906	0.4134	0.8201	1.5046	0.6366	0.4206	0.5268	2.2088	1.1615	1.0924
octadecenedioylcarnitine (C18:1-DC)	1.7607	1.2795	0.5675	0.4485	1.6481	0.8632	0.9941	1.0059	1.0811	1.6611	0.357	1.1061	1.4641	1.2538	0.9043	0.5975	0.9065	1.3963	0.634	0.4247	0.3998	3.0621	0.9279	1.0491
octanoylcarnitine (C8)	0.9119	0.8312	0.7561	0.6173	1.1466	0.7727	1.0076	0.9535	1.218	1.7029	0.4963	0.6788	1.6383	1.6864	1.7793	1.268	1.6812	2.1267	0.8422	0.8295	0.5814	1.1015	1.0366	0.9924
oleate/vaccenate (18:1)	1.2946	1.3967	0.9741	0.2727	1.0067	0.644	1.2258	0.5661	1.0184	1.7134	0.6	0.5235	1.3461	0.6256	1.2964	1.0472	0.8263	1.0977	1.6231	0.9933	1.1307	0.5913	0.6497	0.7158
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]	0.9079	1.2815	0.8834	0.6101	1.2194	0.8995	0.9948	1.8325	1.2844	0.8872	0.7122	0.6105	1.3349	0.966	1.2211	1.8177	0.9802	1.8703	1.0052	0.7733	0.9403	1.5058	1.9773	1.4919
oleoylcarnitine (C18)	0.9941	0.6765	1.0059	0.4773	1.1238	1.1451	0.8369	1.0064	0.9386	1.3924	0.6794	0.7092	1.2463	1.4374	1.7906	1.0314	1.5397	1.6976	1.0525	0.8488	0.7645	0.8544	0.8079	0.84
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]	1.6306	2.2033	0.6809	0.1781	1.6344	1.044	0.7553	1.8592	0.9075	0.5151	0.8593	0.621	1.91	0.743	1.0908	2.5521	0.415	0.956	0.9105	0.5209	1.5205	1.65	2.0675	1.8447
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]	1.3448	2.251	0.7876	0.5921	1.52	1.0082	0.5825	1.7823	0.9454	0.5438	0.7528	0.7276	1.8727	0.7276	0.9918	2.6017	0.5044	1.0923	0.8181	0.4925	1.5068	1.5593	1.9187	1.8551
oleoyl-oleoyl-glycerol (18:1/18:1) [2]	2.0581	2.1295	0.2201	0.4825	1.2062	0.2201	0.2201	1.1738	0.8262	0.5346	0.7388	0.2201	1.2076	0.7036	0.4759	1.4562	0.2201	0.6311	0.7234	0.2575	1.2754	1.4639	1.5338	1.5388
ophthalmate	0.9016	1.8611	0.6271	1.1744	0.9359	1.2139	0.8886	1.636	1.1046	2.7923	1.0058	2.7655	0.6317	1.5022	1	0.4584	1.9919	0.7675	1.0614	0.6507	0.237	0.237	0.7661	0.454
ornithine	0.6988	1.0984	0.8748	0.5715	1.2092	1.0759	0.7403	1.0139	0.9861	1.3383	0.9158	0.8021	1.0427	1.0734	1.0251	0.726	0.9329	1.2949	1.2548	0.8636	0.9118	1.3588	1.1039	0.9861
orotate	0.9932	1.9002	1.599	0.9959	0.9358	0.7812	1.388	1.6697	2.2246	0.9583	0.6963	0.7376	1.5058	0.9811	0.621	1.0041	1.2854	2.1012	0.7333	0.6988	0.786	2.677	1.6674	1.4541
orotidine	0.8032	1.3856	0.5945	1.1022	0.9346	0.9836	0.8719	1.5523	1.7986	1.3553	1.0164	1.4386	0.8781	1.1892	0.6282	0.8483	1.6724	1.5331	0.8835	0.7864	0.8186	0.9733	1.653	1.0559
O-sulfo-L-tyrosine	0.9925	1.0327	0.7906	0.7688	1.0075	0.9149	0.6045	1.3863	1.2677	1.2902	1.0618	0.8133	0.7756	0.9098	0.8201	1.5123	3.0622	1.1147	0.9766	0.8665	0.986	1.2729	1.7015	2.2594
oxalate (ethanedioate)	0.6753	0.7529	0.7385	0.4254	1.1215	0.8658	1.064	0.9947	1.0005	1.1044	1.0397	0.8775	0.9995	1.0606	1.1949	1.0281	1.0091	1.023	0.7592	1.0294	1.1079	0.5064	0.9761	0.8744
palmitate (16:0)	1.1883	1.4825	1.0215	0.5735	1.0779	0.8476	1.1052	0.8231	1.1706	1.5119	0.7926	0.7785	1.1842	0.7903	1.0552	1.1154	0.9072	1.1452	1.3455	0.9228	0.9785	0.7385	0.8189	0.8192
palmitoleate (16:1n7)	1.1577	1.2014	1.1249	0.2786	0.7767	0.4436	1.0514	0.5008	1.0894	1.5906	0.3408	0.4357	1.5837	0.7115	1.3913	1.4915	0.7503	1.2708	1.7008	0.9667	1.0333	0.8542	0.777	0.8811
palmitoleoyl-arachidonoyl-glycerol (16:1/20:4) [2]	0.7619	1.1969	0.349	0.4714	1.2426	1.351	0.9704	1.1933	0.7562	0.9938	0.3019	0.4877	0.8537	0.5039	1.0257	2.3988	1.1936	1.6258	0.6325	0.6229	1.0062	1.2242	1.9135	1.4089
palmitoleoylcarnitine (C16:1)	1.0017	0.6923	1.271	0.466	0.9146	0.9026	0.7665	1.0295	1.3976	1.3145	0.5218	0.6606	1.7801	1.7548	1.8939	1.0838	1.5522	2.5676	0.9896	0.6829	0.6848	1.2329	0.9983	0.8767
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]	1.2069	3.15	0.2934	0.2934	0.6223	0.5384	0.337	0.2934	0.7633	0.2934	0.4233	0.6388	1.5856	0.2934	0.7931	2.3824	0.2934	1.2348	0.7897	0.2934	1.5764	1.5951	2.7916	1.3436
palmitoyl dihydrosphingomyelin (d18:0/16:0)	0.7081	0.7829	0.6577	0.488	1.4795	1.313	1.0137	1.0913	0.9933	1.1088	0.9513	0.8422	1.0404	1.1875	1.1384	1.0111	0.9443	0.9389	0.7326	0.6461	0.7675	1.0067	1.1214	1.2381
palmitoyl sphingomyelin (d18:1/16:0)	0.9911	0.7003	0.8277	0.7163	1.2556	1.2034	1.0888	1.0868	1.0028	1.3436	1.1435	0.8921	0.9504	1.1997	1.3215	0.9751	1.03	0.9355	0.9241	1.0347	0.9972	0.8593	0.9398	1.2136
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]	0.3474	1.4064	0.3474	0.3474	1.0294	0.3474	0.3474	1	0.3474	0.9822	0.5767	0.3474	2.4244	0.3474	1.5836	0.9296	1.2496	4.6886	0.9114	0.606	0.9827	0.9826	1.171	1.1705
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]	0.3228	0.8605	0.481	0.3228	1	0.3228	0.5104	1.745	0.3228	0.3228	0.4552	0.3228	1.4889	0.3526	1.2723	1.5795	1.375	3.838	1.0515	0.6303	0.8611	0.596	1.5905	1.2329
palmitoylcarnitine (C16)	0.9473	0.8029	1.025	0.5901	1.0772	1.242	1.1779	1.2232	1.4276	1.5604	0.9095	0.9425	0.8573	1.2387	1.4523	1.1084	1.5898	1.6625	0.9683	0.6769	0.6589	0.975	0.8582	0.7899
palmitoylcholine	0.5835	0.4515	0.5283	0.4452	2.0705	0.8341	7.091	0.4452	0.6717	0.6169	1.2829	0.4452	0.9992	0.4452	1.0008	0.5813	0.4452	0.6093	2.1731	3.0957	7.5259	2.7445	1.0618	1.2504
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]	1.1645	2.1145	0.4334	0.1314	1.589	1.0073	0.7259	1.7837	1.0107	0.7827	0.8462	0.6137	1.6124	0.8352	0.9927	1.9391	0.5073	1.4833	0.8158	0.4708	0.9772	1.059	1.9123	1.5123
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]	0.9667	2.0204	0.6371	0.4619	1.4618	1.0938	0.5385	2.0344	1.0333	0.7487	0.7889	0.6886	1.6533	0.7743	0.9433	2.3167	0.6395	1.5837	0.7356	0.4264	1.1187	1.1722	1.6411	1.6552
pantothenate (Vitamin B5)	0.9365	0.9557	0.3839	0.612	1.3852	1.8044	0.649	1.0832	1.2273	1.5516	1.9594	1.6733	1.3774	1.6025	1.0677	0.5883	0.6997	0.6911	1.0443	0.8905	1.3363	0.9322	0.8435	0.7212
p-cresol glucuronide	0.402	1.5872	0.0085	0.0112	0.0085	0.0085	1.1899	1.2727	1	2.6973	2.7979	2.1307	0.0085	0.0367	0.0085	0.0085	0.0085	0.014	0.0085	0.0085	0.0085	0.0091	0.0085	0.0085
p-cresol sulfate	19.0788	60.0708	0.6559	0.3995	1	0.8785	48.7574	48.7628	44.6463	125.7352	96.1208	89.6127	0.0384	0.7284	0.0462	0.0661	0.1657	1.8095	0.0384	0.0384	0.0384	1.5674	0.3437	0.4052
pentadecanoate (15:0)	1.1301	1.7778	1.0051	0.6725	1.2245	0.9278	0.9674	0.9931	1.1922	1.4683	1.0002	0.8414	1.1195	0.8086	0.9998	1.0502	1.0427	1.12	1.4074	0.8996	0.9363	0.83	0.9165	0.9131
pentadecanoylcarnitine (C15)	0.8647	0.767	1.1423	0.4963	1.2609	1.1008	0.8305	1.0989	1.1804	1.5492	0.681	0.9011	1.1815	1.2852	1.307	0.7916	1.8553	2.2607	0.8563	0.5065	0.5187	1.3512	0.7656	0.7043
perfluorooctanesulfonate (PFOS)	0.5538	0.6179	0.6781	0.3944	0.8627	0.9518	0.7953	0.7467	0.8091	1.3163	0.7548	0.7132	1.579	1.2031	1.2755	1.2628	1.5881	1.7603	1.0482	1.2066	1.2424	1.4021	1.2089	0.8394
phenol glucuronide	1.517	1.0037	1.6471	2.0937	0.1184	0.0308	2.1287	1.6898	0.9963	0.5539	0.7436	0.6512	0.0308	0.0308	0.0308	0.0308	0.0308	0.0308	0.0308	0.0308	0.0308	0.0308	0.0308	0.0308
phenol sulfate	13.3065	7.3617	10.6316	7.4334	2.4463	1.7859	19.416	14.6315	9.2195	8.0835	6.8133	8.1076	0.036	0.2141	0.0371	0.0605	0.1387	0.0304	0.0234	0.0153	0.0466	0.0234	0.0453	0.0531
phenylacetate	1	1.3335	0.4073	0.4142	0.9168	0.5413	0.5973	1.2664	0.4073	2.6451	2.2061	2.3824	0.4073	0.4073	0.4073	0.4073	0.4073	0.4073	0.4073	0.4073	0.4073	0.4073	0.4073	0.4073
phenylacetylglycine	2.9041	3.9158	2.1594	2.9242	1.883	1.218	3.1807	3.7353	4.2657	4.2999	5.046	4.4845	0.3022	0.4711	0.2519	0.3922	0.782	0.3349	0.3828	0.3016	0.2637	0.611	0.6611	0.7446
phenylalanine	0.6266	0.6869	0.859	0.4891	1.003	0.96	0.9132	1.2045	1.0358	1.1719	1.0309	0.6833	1.0141	1.1695	1.0029	0.9335	1.1421	1.212	0.9513	0.7624	0.8379	1.5326	1.1651	0.9971
phenyllactate (PLA)	0.6797	1.0258	1.4818	0.6213	1.8569	2.2366	0.6077	1.778	0.9296	1.0495	0.9588	0.8686	1.3993	1.0888	0.5394	1.011	0.989	1.2967	0.7706	0.5114	0.6321	1.2898	1.2702	0.8018
phenylpropionylglycine	3.8602	11.1488	0.0369	0.0369	2.2538	1.8706	0.0369	0.1279	0.1006	0.0369	0.0369	2.46	0.0369	0.1294	0.0369	0.0369	0.0369	0.0369	0.0369	0.0369	0.0369	0.0369	0.0688	0.0369
phenylpyruvate	0.3188	0.8466	0.7979	0.6664	0.5566	1.0884	0.4378	1.5778	0.991	0.6365	1.2396	0.449	1.2116	2.3194	1.009	1.0682	0.9629	1.0797	1.0413	0.8447	0.6912	1.9865	1.9472	1.0768
phosphate	0.5339	0.8807	0.7885	1.0571	0.9429	0.7924	0.4306	1.3382	1.1003	1.3276	0.8872	1.3854	0.7826	1.2451	1.118	1.2837	1.8572	1.7239	0.6918	0.8266	0.5339	0.8493	1.2662	1.2812
phosphoenolpyruvate (PEP)	0.3481	5.6118	1	5.274	0.5131	0.6192	0.196	6.7103	5.5084	2.1728	0.8486	22.529	1.6937	4.8978	0.4643	0.587	8.4043	2.6463	0.9211	0.5192	0.196	0.2979	2.9014	0.6724
phosphoethanolamine (PE)	0.5345	1.0618	0.2935	1.1658	0.9807	0.9333	0.9181	1.1994	1.3459	1.7837	1.2797	1.7693	0.5081	1.1482	0.9542	1.4068	1.6077	0.9975	0.7096	1.0025	0.7402	0.7734	1.2787	0.8653
picolinate	0.5121	0.4155	1.0079	0.3931	1.3339	0.9204	0.5145	1.157	0.6368	0.9921	0.8724	0.756	1.7829	2.3795	1.903	0.5759	1.0455	1.3589	1.6951	1.3399	1.466	1.3185	0.8929	0.9011
pimelate (C7-DC)	1.0117	1.2336	0.1404	0.9326	0.9619	0.7907	0.583	0.9785	1.0398	1.3352	0.5831	1.2869	1.8038	1.5461	0.6975	0.9745	1.7275	2.7002	0.9883	0.8696	0.8796	1.4473	3.4653	2.2905
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)	0.3945	3.0706	2.4677	1.4386	0.3945	0.6975	1.9245	2.4328	1.5691	1.3663	0.3945	0.5591	0.3945	0.6441	0.6532	0.9383	1.5588	1.6189	0.5584	0.3945	0.5632	0.9821	1.0179	0.8346
pipecolate	0.8051	1.0136	0.8465	0.7064	0.9864	0.8323	1.8302	1.3877	1.5607	1.0737	1.0484	0.8634	0.6958	0.8472	0.7493	1.0705	1.3269	1.2299	0.7615	0.7992	1.025	0.9562	1.1516	1.1092
prolylhydroxyproline	1.1522	1.0109	0.456	0.6528	1.8195	1.221	1.1297	0.9639	0.9407	1.2581	1.2224	0.977	0.5954	0.885	0.5701	1.3316	0.8819	0.9206	0.9891	0.9738	1.0482	1.1641	1.0901	1.1072
proline	0.7467	0.9299	0.6016	0.8715	1.0432	1.0862	0.8665	1.0296	1.0425	1.1019	1.238	1.0057	1.1151	1.1189	0.8151	0.7847	1.063	1.415	0.9943	0.868	0.8117	1.7778	0.9597	0.7938
prolylglycine	0.6038	0.9056	0.455	0.599	0.9367	0.8741	0.8633	1.9754	1.3047	0.926	1.5786	0.6655	2.4368	2.4408	0.942	0.7901	0.8509	1.4857	1.3579	1.058	1.1458	3.546	1.1637	1.1874
propionylcarnitine (C3)	0.5646	1.0794	0.534	0.5314	1.0048	0.9952	0.6979	1.1987	0.8452	3.9197	0.9093	1.0109	2.2314	2.2108	0.7246	0.9116	2.4709	1.9565	0.7879	0.7213	0.6623	1.414	1.7578	1.526
propionylglycine (C3)	0.7223	1.1578	0.7656	1.3258	0.7625	0.7431	0.5678	2.1588	1.5645	1.62	0.8422	0.5541	0.7682	1.5134	0.7605	1.2095	2.0574	2.4712	1.2333	0.5988	0.5546	0.8076	2.6752	2.1401
pseudouridine	0.9171	0.8083	0.9962	0.5902	1.3897	1.0038	0.9158	1.6047	1.1249	1.1143	0.9434	0.8179	0.5271	0.8667	1.0649	1.4748	1.7624	0.9289	1.1	1.0411	0.8432	1.1075	0.9286	1.3321
putrescine	0.89	0.8103	0.3632	0.6026	1.9459	1.0382	1.0842	0.7683	1.2279	1.3217	1.3334	0.6084	0.5414	0.9057	0.6313	1.0639	1.7271	1.5565	0.8025	0.9618	0.6968	1.6495	1.2562	1.4717
pyridoxal	1.089	0.8044	0.5325	0.4994	0.7281	1.1608	0.836	0.9838	0.9156	1.4327	1.153	0.9099	1.4204	1.5305	1.2881	0.9433	1.0526	1.0324	0.93	0.8785	1.3751	1.1401	0.9737	1.0162
pyridoxate	0.9172	0.9952	0.7152	0.971	0.6502	1.001	0.8423	1.4124	1.5485	2.4331	1.147	1.0658	1.2386	1.3712	0.7975	0.97	1.6884	1.7838	0.6441	0.5781	0.7653	1.1625	1.1758	0.999
pyroglutamine	1.1059	0.9213	0.5897	0.5245	0.7986	0.6579	1.1882	1.5407	1.1674	1.0346	0.9118	1.025	0.9694	1.0428	0.9568	0.9625	1.1817	0.9902	0.7691	1.0098	1.2141	1.1045	0.9394	1.2082
pyrraline	1.0658	2.0561	0.5301	0.2296	0.9342	0.8428	0.2648	0.7794	1.1634	0.3316	0.2259	0.3656	2.3854	1.9227	0.4413	0.5937	1.7238	3.0025	1.2891	0.9293	1.2166	3.1632	2.3059	2.8238
pyruvate	0.7224	0.8625	0.4415	0.5646	0.9801	1.0014	1.0342	1.069	1.3562	0.5611	1.1298	0.8472	0.8334	1.1088	1.1272	1.2023	0.8597	0.9986	1.034	1.0947	0.9123	1.2446	0.9209	1.2884
quinate	0.3975	0.2945	0.0754	0.1969	0.3373	0.2546	0.0754	0.2447	0.4	0.0754	0.0754	0.1309	2.3513	1.9387	1.0853	0.704	1.3171	1.5342	1.9337	1.306	1	1.5239	1.62	1.3952
quinolinate	0.9238	0.427	1.3224	0.5946	1.176	0.6445	0.3136	1.2721	0.5751	0.706	1	0.3136	3.2043	3.8947	1.4464	0.4386	0.3136	1.2583	2.0381	1.7883	1.7952	0.3136	0.7467	0.494
retinal	0.7589	1.6447	0.45	0.45	0.45	0.45	1.2924	2.0707	0.9573	0.9036	0.45	0.45	1.1242	1.3721	0.45	1.2785	0.6951	1.0427	0.781	0.45	0.6782	0.45	0.45	0.45
retinol (Vitamin A)	0.9072	0.9224	0.9592	0.3814	1.2183	0.9451	1.8845	1.4003	1.428	0.9223	0.9074	0.408	0.9278	1.0736	1.1775	1.4154	0.7464	1.1046	1.0467	0.978	1.3169	0.6187	1.022	1.1857
ribitol	0.6544	0.9812	0.8279	0.5468	0.8597	1.1857	0.6537	1.3429	1.2475	1.5611	1.0188	0.7529	1.2173	1.5976	0.9766	0.9293	1.3872	1.7591	0.9401	0.8282	0.8758	1.225	1.3696	1.2495
ribonate (ribonolactone)	1.118	0.747	0.5269	0.4734	2.1161	0.736	1.0228	1.6948	1.4933	0.8139	0.978	1.0457	1.4143	1.1797	0.8906	0.9598	1.022	1.2157	0.922	1.5696	0.9148	0.9456	1.4228	0.9141
ribose	2.3211	1.4627	0.6877	0.5453	3.259	2.2655	1.1602	1.148	1.1017	0.979	1.5368	0.8955	1.8379	1.3004	0.6188	0.5632	0.6217	0.7218	1.021	0.6079	0.8648	0.8697	1.0857	0.6142
ribulonate/xylulonate	0.7905	1.0346	1.1353	0.6237	1.1374	1.2966	0.5269	1.2116	1.4424	1.0984	1.1641	1.099	1.288	1.2195	0.708	0.8536	0.9232	0.7204	0.9654	0.8338	0.7403	0.6798	1.2044	0.8876
S-(3-hydroxypropyl)mercapturic acid (HPMA)	0.499	1.836	1.5356	2.4226	0.2368	0.3878	1.3968	1.9007	1.7947	0.6032	0.3132	0.2902	0.3159	0.4499	0.2202	1.5677	3.8554	2.3133	0.3255	0.2697	0.2277	1.4016	2.0889	2.3518
S-adenosylhomocysteine (SAH)	0.2103	0.929	0.2343	0.857	0.3405	0.2957	0.2103	1.9718	1.0845	3.8201	0.6718	1	1.8758	3.5513	0.6566	2.2139	4.3701	8.5983	0.302	0.2103	0.2103	0.366	4.5988	5.8793
salicylate	3.296	0.9571	0.1321	0.1321	1.553	2.2862	0.1321	0.7073	0.4619	0.1321	0.1321	0.8853	7.6185	1.9826	0.1321	0.1321	1.7483	1.0429	1.1644	0.7366	0.6551	0.9165	0.1321	0.1321
sarcosine	0.5347	0.6796	0.6429	0.5347	0.7901	0.6182	0.5347	1.5453	1	1.8628	0.6889	0.8086	2.464	2.7406	1.088	0.7928	1.6743	2.4651	0.5347	0.9194	1.4861	0.7105	2.2863	1.3336
sebacate (C10-DC)	0.7113	1.3416	0.756	0.6602	1.0116	1.0312	0.9261	0.8539	1.055	1.1575	0.8298	0.8301	1.6429	1.2825	1.2333	0.8025	1.4512	2.6061	0.8786	1.1693	0.9854	2.2526	0.9884	0.8315
serine	0.6882	0.9428	0.5705	0.7753	1.0769	0.9776	1.1677	1.0894	1.0873	0.9814	1.0036	0.9949	1.2795	1.1479	0.9925	0.9964	1.2782	1.6738	1.0266	0.9798	1.0751	1.9015	0.9306	0.9893
serotonin	0.4116	1.7091	0.0173	2.1905	2.5169	0.8324	0.2496	0.901	2.7673	0.666	1.1524	1.8763	1.099	1.8905	0.1797	0.52	1.4409	0.6166	1.1093	1.9683	0.1257	0.2936	2.6035	0.8149
S-methylcysteine	1.189	0.1379	0.4917	0.1379	1.8988	1.2956	1.6018	1.1635	0.8365	1.7373	1.5876	0.5924	0.1379	0.461	1.368	0.6344	0.7852	0.7895	1.2939	1.4459	1.323	0.4428	0.2337	0.6358
S-methylcysteine sulfoxide	1.2993	0.1935	0.1935	0.1935	2.6332	1.9243	0.8129	0.1935	0.1935	2.5556	1.9894	0.3898	0.487	0.1935	1.341	0.6228	0.6811	0.3214	0.9401	1.0599	1.5152	0.1935	0.1935	0.1935
S-methylglutathione	1.0456	1.6506	0.5979	0.5979	0.5979	1.4644	0.7147	1	0.5979	1.35	0.5979	0.8943	1.2802	0.6567	0.5979	0.5979	0.8591	0.7417	0.5979	0.5979	0.6658	0.5979	1.1616	1.4156
spermidine	0.4404	0.8395	0.4404	0.4404	1.0025	0.8851	1.4455	0.9975	1.5437	1.7404	1.1729	1.5074	0.5264	1.0161	0.5875	1.0527	1.3563	0.8588	0.5283	0.8044	0.8291	0.893	1.7775	1.1311
sphingadienine	1.2822	1.8714	0.5094	2.5768	1.0149	0.9679	0.8298	1.6268	0.9212	2.6488	0.5094	1.1275	0.5094	0.811	0.5094	0.5094	1.2343	0.9851	0.5094	0.8484	0.5094	0.5094	0.7849	0.5094
sphinganine	1.5814	1.8043	0.5919	2.6578	1.4027	1.138	1.0402	1.8735	1.1251	2.7691	0.9598	1.7189	0.6847	0.8467	0.6916	0.8122	1.071	0.9415	0.3629	0.5784	0.3111	0.5818	1.0666	0.7816
sphinganine-1-phosphate	1.0383	1.2219	0.4731	0.7175	1.206	1.0136	0.7113	1.15	1.2435	1.4108	0.9097	0.9718	0.9963	0.8541	1.0869	1.0037	1.5485	1.175	0.659	0.7749	0.6076	0.6507	1.0845	0.8398
sphingomyelin (d17:1/14:0, d16:1/15:0)	0.5153	0.8064	0.5153	0.5153	1.4071	1.0527	1.5434	1.1656	1.0706	1.2788	1.1855	0.6847	0.75	0.9995	1.0402	1	0.6946	0.9519	0.5627	0.5153	0.5297	0.6753	1.105	1.1315
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)	1.0635	0.7279	0.5376	0.5991	1.1928	1.4881	0.9761	0.8405	1.0057	1.231	1.1826	1.2788	1.4173	1.3507	1.2769	0.7113	0.7573	0.9943	0.7927	0.7317	1.0087	0.817	1.161	0.9373
sphingomyelin (d17:2/16:0, d18:2/15:0)	0.4852	0.8309	0.8643	0.4852	1.3546	0.4852	1.4376	1.2712	0.9045	1.1048	0.5364	0.4852	0.4852	1	0.9078	1.6959	0.8806	1.1084	0.4852	0.4852	0.4852	0.6491	1.198	1.6018
sphingomyelin (d18:0/18:0, d19:0/17:0)	1.0263	0.7208	0.4168	0.4053	2.1545	1.7538	1.2449	1.3943	0.8985	1.5813	1.167	1.3508	0.9341	1.175	1.48	0.9737	1.3578	0.764	0.943	0.747	0.8044	0.4768	0.866	1.2648
sphingomyelin (d18:1/14:0, d16:1/16:0)	0.9995	0.7999	0.8331	0.5096	1.4607	1.2037	1.2929	1.1367	1.157	1.273	1.0255	0.9619	1.0198	1.1641	1.2318	1.0005	0.9039	0.9083	0.6548	0.6656	0.6954	0.7274	0.9288	1.153
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)	1.0066	0.6087	0.6704	0.4634	1.6603	1.4845	1.0969	1.1318	1.0055	1.4999	1.2162	0.9894	0.9626	1.1859	1.3212	1.0448	0.9945	0.9109	0.7229	0.7169	0.6392	0.8012	0.9847	1.2186
sphingomyelin (d18:1/18:1, d18:2/18:0)	1.1852	0.6473	0.8331	0.8409	1.3318	1.2332	0.9943	0.9888	0.9212	1.4143	1.1871	0.8852	0.9475	1.2272	1.4501	0.9961	1.1314	0.8905	1.0039	1.043	1.0788	0.7725	0.7578	1.0109
sphingomyelin (d18:1/19:0, d19:1/18:0)	0.5643	0.5398	0.5926	0.3784	1.6402	1.1145	1.5129	1.2989	1.2301	1.3663	0.8977	0.6938	0.7725	1.1004	1.2365	1.5386	1.3798	1.1636	0.4973	0.5671	0.5555	0.4663	0.8996	1.2216
sphingomyelin (d18:1/20:0, d16:1/22:0)	0.6459	0.8105	1.023	0.6792	0.977	1.0823	1.6137	1.2161	1.55	1.1107	0.8912	0.7898	0.8628	1.0315	1.316	1.7766	1.5344	1.5542	0.7032	0.8242	0.7759	0.5131	0.9708	1.2253
sphingomyelin (d18:1/20:1, d18:2/20:0)	0.7991	0.7479	0.9674	0.8012	1.0326	1.0887	1.3267	1.2158	1.1048	1.1986	0.7825	0.8372	0.8627	1.2978	1.4544	1.5502	2.0368	1.6589	0.8352	0.7989	0.8892	0.7739	0.9424	1.4104
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)	0.5146	0.9047	1.3289	1.0018	0.9732	0.9101	2.1955	1.7937	1.9644	1.0159	0.75	0.6439	0.7864	0.9982	1.3788	2.9091	2.1743	2.4367	0.5975	0.7611	0.6426	0.8428	1.9882	2.3248
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)	0.5707	1.5353	1.6347	1.1591	0.8301	0.7924	2.1597	1.6928	1.8271	0.8869	0.7493	0.5979	0.6734	0.8455	1.0315	2.7364	1.693	2.1401	0.5424	0.6834	0.6523	0.9685	1.7807	2.0902
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)	0.6736	1.5414	1.533	1.2016	0.9397	0.8035	1.6584	1.5069	1.7003	0.9366	0.7829	0.613	0.6149	0.8105	0.9025	2.0271	1.5751	1.6583	0.5436	0.6425	0.6238	1.0603	1.26	1.8986
sphingomyelin (d18:1/24:1, d18:2/24:0)	0.9808	0.8331	0.8788	0.5773	1.4188	1.4848	1.8054	1.2756	1.358	1.1644	1.1652	0.8845	0.7243	0.8692	1.0192	1.3143	0.9446	1.1142	0.7346	0.7546	0.7141	0.5548	1.1242	1.0494
sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0, d19:1/24:0)	1.3058	0.5122	0.499	0.4186	1.9465	1.8782	1.2086	1.1139	1.0014	1.7432	1.5906	1.4961	1.3594	1.453	1.5839	0.7606	0.9231	0.6905	0.9549	0.8049	0.9986	0.7357	0.6973	0.7931
sphingomyelin (d18:2/14:0, d18:1/14:1)	1.092	1.0646	0.8607	0.2976	1.424	0.9399	1.4889	1.2142	0.9889	0.9589	1.0089	0.7225	0.9122	0.8801	1.0039	1.628	1.0294	0.9961	0.7132	0.5397	0.5911	1.1136	1.345	1.7199
sphingomyelin (d18:2/16:0, d18:1/16:1)	0.8673	0.9179	1.0429	0.7059	1.1823	1.0057	1.3086	1.0878	1.0729	0.9943	0.8879	0.7544	0.7953	0.8701	1.0897	1.2996	1.2079	1.3913	0.5887	0.6355	0.6766	0.8505	1.0166	1.4468
sphingomyelin (d18:2/18:1)	0.8928	0.5859	0.7267	0.58	1.2095	1.1132	0.9079	0.5908	0.8573	1.2121	0.8997	0.6387	1.0477	1.102	1.5999	1.0201	1.5679	1.1661	0.9799	0.9385	1.029	1.0596	0.8596	1.0287
sphingomyelin (d18:2/21:0, d16:2/23:0)	0.403	1.1535	1.1176	0.7919	1.1157	0.7262	2.4184	1.6498	2.0598	1.038	0.6918	0.527	0.5922	0.8476	0.962	2.7738	1.8551	1.9381	0.3554	0.3886	0.4401	0.7331	1.7835	2.3178
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)	0.6809	0.6376	0.7131	0.5753	1.1504	1.1012	1.5996	1.2237	1.1302	1.2041	0.9091	0.7306	0.7609	0.979	1.2298	1.2329	1.0323	1.105	0.651	0.5938	0.652	0.688	1.021	1.1356
sphingomyelin (d18:2/23:1)	0.716	0.7244	0.6781	0.3951	1.3891	1.071	1.6513	1.2273	1.1903	1.3174	1.0002	0.6504	0.732	1.0141	1.2316	1.27	1.0241	0.9998	0.4505	0.4798	0.5088	0.5993	0.8392	1.3117
sphingomyelin (d18:2/24:1, d18:1/24:2)	1.0049	0.8939	0.9286	0.6877	1.5253	1.3024	1.7169	1.351	1.1037	1.3942	1.2567	0.962	0.806	0.9656	1.0689	1.2376	0.9424	1.0064	0.6693	0.7159	0.735	0.8424	0.9951	1.1908
sphingomyelin (d18:2/24:2)	0.9714	0.7905	0.8272	0.7457	1.3852	1.1341	1.2109	1.1245	1.022	1.248	1.0699	1.0228	0.7324	0.9923	1.0531	1.0155	1.0034	0.9966	0.687	0.6905	0.6587	0.8553	0.7321	1.0381
sphingosine	1.5628	2.0849	0.7533	3.5376	1.4555	1.2483	0.9994	1.8182	1.4009	3.2789	0.7608	1.6347	0.6905	0.5478	0.7573	1.0006	1.7027	1.366	0.6955	0.6188	0.4639	0.8838	0.9432	0.7625
sphingosine 1-phosphate	0.9741	1.1937	0.547	0.6615	1.2527	1.2806	1.0505	1.2854	1.2315	1.7416	0.8175	0.728	0.7807	0.8476	0.8631	1.2254	1.3088	1.3975	0.7502	1.0259	0.6353	0.6726	1.0776	0.9501
stachydrine	1.6525	1.4139	0.6427	0.5192	1.0473	1.0867	0.6421	1.2801	1.255	0.5593	0.8925	1.3758	1.2277	1.2067	0.569	0.6883	0.9527	0.7043	0.6417	0.7265	0.9285	1.9883	1.0691	1.4012
stearidonate (18:4n3)	1.714	1.4122	1.2514	0.4754	1.1125	0.8091	1.0805	0.57	1.1989	1.4744	0.3947	0.6314	1.5413	0.6173	1.1257	1.4752	0.7023	1.2403	1.4054	0.7609	0.816	0.6521	0.8602	0.9195
stearoyl sphingomyelin (d18:1/18:0)	1.1532	0.6131	0.6595	0.6632	1.3289	1.6889	0.9846	0.9002	0.8451	1.4634	1.4451	1.3136	1.0076	1.3967	1.6306	0.8246	1.1498	0.9924	1.0366	0.8848	1.1555	0.6472	0.6354	0.7921
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]	0.2727	0.5071	0.8625	0.2727	0.7424	0.7407	1	1.7965	1.1784	1.5913	0.6258	0.7177	1.0167	1.0818	1.0252	1.4623	1.6279	6.1892	0.6296	0.6487	0.8512	0.8261	1.6017	1.3073
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]	0.2373	0.7069	1	0.5582	0.8817	0.7717	1.335	1.5662	0.9938	1.8992	0.7525	0.6169	1.0296	1.2245	1.0071	1.6376	1.556	6.2302	0.5996	0.7291	0.2373	0.6024	1.7095	1.2561
stearoylcarnitine (C18)	0.9913	0.8416	0.8893	0.5978	1.2156	1.5676	1.094	1.115	1.1381	1.53	1.0214	1.0448	0.789	1.0087	1.0857	0.926	1.3167	1.4442	0.8011	0.7232	0.619	0.659	0.8063	0.8486
stearoyl-linoleoyl-glycerol (18:0/18:2) [2]	1.3714	1.1495	0.4623	0.4623	1.2154	0.4623	0.4623	0.8629	0.4623	1.3072	0.4623	0.4623	1.0255	0.7531	0.6815	1	0.4623	1.341	0.4623	0.4623	0.9441	0.944	0.5704	1.3202
suberate (C8-DC)	0.8579	0.7062	0.6487	1.0325	0.7247	0.9091	0.5188	1.1102	1.0465	1.0806	0.8534	0.6024	1.3252	1.7001	0.9675	0.5974	1.9122	2.4328	1.286	0.5727	0.4222	1.2831	1.4473	1.4446
suberoylcarnitine (C8-DC)	0.4454	0.5462	0.4454	0.4454	0.4454	0.828	0.4454	0.786	0.4454	1.593	0.4454	0.4454	0.839	2.1016	1.8176	0.4454	1.7286	2.3454	1	0.4454	0.4454	1.6814	0.6109	0.4454
succinate	0.4708	1.0319	0.5836	0.9681	0.6096	0.9033	0.555	1.4735	1.1493	2.641	0.8153	0.774	1.6712	1.8531	0.8609	1.1049	1.7453	2.1874	0.6031	0.6429	0.754	1.1295	1.9397	2.1061
succinylcarnitine (C4)	0.18	1.2539	0.2927	0.9944	0.18	0.4838	0.2948	0.8607	1.0056	1.3316	1.1453	1.9669	0.8457	1.0826	0.18	0.3848	1.4359	1.5141	0.18	0.18	0.18	0.18	1.1555	0.5021
sucrose	0.478	0.6277	0.478	0.9675	0.478	0.478	0.478	0.6131	1.7084	0.529	0.478	1.4192	4.0104	0.478	0.478	0.478	1	3.7555	3.2609	0.478	0.478	0.478	0.478	0.478
sulfate	0.9237	0.7593	0.7302	0.5107	0.9194	0.9753	0.8134	1.1216	1.0407	1.0643	0.7397	0.7528	0.8667	1.0945	1.0776	1.1434	1.0298	0.9801	1.1177	0.8995	1.0199	1.1122	1.0533	1.1326
tartronate (hydroxymalonate)	0.7195	0.7552	0.8151	0.4589	1.0434	0.8372	1.0044	1.2706	1.3334	1.0101	1.0084	0.7731	1.301	1.3304	0.9821	0.9555	1.0684	0.9956	0.9315	1.0079	1.1184	0.4409	1.1177	0.887
taurine	0.6888	1.1379	0.6744	0.9108	0.8853	0.96	1.0576	1.0897	1.2637	1.3614	1.0427	1.0541	0.8069	1.0099	0.7883	1.2123	1.3648	1.1754	0.6688	0.7591	0.7412	0.7843	1.229	0.9901
tauro-alpha-muricholate	0.1125	0.3016	2.0491	0.4806	1.7476	4.2751	0.1125	0.9147	0.365	1.9015	1.0153	2.3367	1.9728	0.7527	0.5826	1	4.5169	3.6377	0.8961	0.4758	0.5799	205.8203	4.5254	0.9269
tauro-beta-muricholate	0.0843	0.1188	0.6145	0.1821	0.4625	1.1065	0.0635	0.1648	0.184	0.6402	0.2612	0.5735	2.7884	1.0955	1.4538	1.5315	7.7071	3.8218	1.5799	0.9336	1.0664	174.641	10.6693	1.2619
taurochenodeoxycholate	0.2141	0.2675	1.0277	0.1201	1.2145	1.6564	0.1198	0.5672	0.343	1.006	0.5283	0.7249	2.7647	1.1439	1.5247	0.7258	3.1504	3.4293	1.2928	0.6967	0.994	91.1339	6.433	0.9237
taurocholate	0.0995	0.1807	0.8455	0.1363	0.7431	1.466	0.1339	0.9927	0.2837	0.7337	0.4092	0.8456	1.7126	1.0455	1.8733	1.104	4.5351	2.4898	1.2887	0.8517	1.4812	67.381	6.7357	1.0073
taurodeoxycholate	0.3625	1.0993	0.7217	0.1466	1.9401	0.9007	0.5079	2.2795	0.6703	6.0841	3.0819	3.7087	0.1466	0.1466	0.1466	0.1466	0.1466	0.1466	0.1466	0.1466	0.1466	0.1466	0.1466	0.1466
taurohyodeoxycholic acid	0.092	0.1849	0.7643	0.092	1.0059	1.8915	0.3068	1.1543	0.9036	2.7283	1.348	3.5892	0.092	0.092	0.092	0.092	0.092	0.092	0.092	0.092	0.092	0.9941	0.092	0.092
tauroursodeoxycholate	0.2618	0.1379	0.3554	0.1313	0.9292	0.8234	0.1533	0.1546	0.1313	0.5787	0.7642	0.2839	1.6246	1.3574	1.8777	1.0058	2.4565	1.6025	1.345	1.0486	1.0533	45.0129	1.8752	1
tetradecanedioate (C14)	0.955	0.7887	0.6365	0.3521	1.3132	0.8978	0.9873	1.0984	1.4716	3.0025	0.6941	0.8001	3.8343	1.4993	1.488	0.8598	1.887	4.5249	1.3722	0.8373	0.9757	1.9912	1.0127	0.912
thiamin (Vitamin B1)	0.3737	1.5808	0.5416	1.3876	0.3296	0.6385	0.3239	2.4587	1.2638	1.8088	0.432	1.1235	0.5709	1.833	0.4839	1.9359	1.9234	1.8542	0.1746	0.0759	0.2071	0.8765	1.5807	1.9739
thioproline	0.8874	0.5456	1.2694	0.4076	1.0689	1.1692	1.0268	1.1137	1.0838	2.7484	1.3847	0.358	0.576	0.8559	1.1031	1.3987	0.5763	0.9916	0.6769	0.9546	0.5686	0.706	1.0084	1.2162
threonate	0.659	0.7483	0.7234	0.3843	1.1784	1.0058	1.0228	1.1002	0.9919	1.3577	1.1255	0.9803	0.9942	1.2682	1.2314	0.9657	1.0627	1.3299	0.7848	0.9645	1.1071	0.6039	1.1828	0.9034
threonine	0.6425	0.8317	0.5659	0.3246	1.064	0.8832	0.8493	1.0268	0.9144	1.0402	1.0917	0.6193	1.1245	1.1814	1.0924	0.7948	0.8983	1.0215	1.0805	0.961	1.1507	1.0646	0.9951	1.0049
thymidine	1.2688	0.6165	1.1102	0.5255	2.4273	2.0555	1.0029	1.2302	0.9964	1.4565	0.9471	0.9971	0.7213	1.0531	1.0898	0.7891	0.747	0.9346	1.5631	1.4086	0.8513	1.5666	0.963	0.9578
thymine	0.835	1.0728	0.6173	1.3235	1.5832	1.6372	0.6173	1.4504	0.7493	2.3864	0.7103	0.6173	0.7176	0.6173	0.7466	0.6173	1.0227	0.9773	0.8475	0.9193	0.7418	3.5027	1.1702	1.1167
thyroxine	0.4598	1.3851	0.2976	0.2976	1.5148	1.1174	0.795	0.571	1.1591	0.5673	1.0406	0.5752	0.925	0.8816	1.0816	1.0049	0.9995	0.9255	1.2178	1.269	2.0631	0.5925	1.0234	1
tigloylglycine	0.615	0.8769	1.0567	1.378	0.7469	0.6532	0.4274	1.669	1.1286	2.6686	0.5249	0.5492	0.9433	1.7033	1.1805	1.1007	2.3576	2.1944	0.652	0.3638	0.3105	0.4442	1.3395	2.0058
trans-2-hexenoylglycine	0.4005	0.4005	0.4005	0.4005	0.466	0.4005	0.4005	1.108	1.2143	1.6807	0.5104	0.4005	0.8889	0.4005	1.5287	0.8978	2.9646	0.4005	0.4005	0.5987	0.4005	0.4005	1.1022	0.4005
hydroxyproline	0.8353	1.0413	0.6207	0.5725	1.1127	0.9152	0.9801	0.8004	0.7728	0.6417	0.8279	0.5516	1.1996	1.0549	0.8648	1.1656	1.0199	1.3254	0.9117	1.1063	1.1945	1.3464	1.4449	1.5134
trans-urocanate	0.7341	4.072	0.4887	4.9159	0.6837	1.4395	0.2842	2.2579	2.2721	0.9665	0.8394	4.0806	3.8842	1.9895	0.4352	0.6395	3.4042	5.9726	2.16	0.9081	0.6156	0.328	1.0335	0.5282
tricarballylate	2.6488	4.948	1.5817	1.3666	2.9096	2.5421	1.095	1.5388	1.1013	5.2795	1.4075	1	0.5743	0.6298	0.544	0.1292	0.5935	0.9006	0.2651	0.1259	0.1259	0.1815	0.3039	0.6163
tricosanoyl sphingomyelin (d18:1/23:0)	0.7348	0.516	0.6589	0.4774	1.3611	1.1923	1.3374	1.1239	1.0739	1.2138	1.0873	0.9279	0.9877	1.105	1.4422	1.1348	1.154	0.8843	0.7973	0.7232	0.7853	0.681	0.847	1.0123
trigonelline (N'-methylnicotinate)	1.6652	1.3792	0.4125	0.4754	1.0149	0.9851	0.4021	0.7879	0.8751	0.5163	0.6159	0.8466	2.0975	1.7235	0.7863	0.8185	1.3981	1.2519	1.2117	0.9679	1.7044	1.2433	1.7058	1.9398
trimethylamine N-oxide	22.5797	6.4522	1.2119	1	8.5356	5.7528	2.1512	3.7297	3.1152	8.4349	8.9005	7.7069	0.164	0.2906	0.0586	0.0347	0.0347	0.2273	0.0829	0.0369	0.0902	0.5398	0.0585	0.1164
trizma acetate	1.1539	7.565	5.823	11.9052	0.0904	0.6765	0.0359	0.3833	2.5543	0.2693	0.1313	1	1.7597	2.6622	3.1867	0.6608	2.2924	19.6715	0.6578	0.0359	0.0359	0.0359	0.046	0.062
tryptophan	0.7491	0.6189	0.6059	0.37	1.2118	1.1175	0.7574	0.9677	0.8601	0.8487	1.1781	0.7478	1.0541	1.455	1.24	0.8112	1.0165	0.9835	1.3267	1.1532	1.2566	1.316	1.1017	0.8876
tyrosine	1.0038	0.8311	0.7511	0.42	0.9608	0.9415	0.8397	1.0522	0.8769	1.1812	1.0572	0.673	1.679	1.354	1.159	0.8407	0.91	1.6056	1.0303	0.9962	1.0851	1.8704	1.3374	0.9138
undecanedioate (C11-DC)	0.5744	1.6173	0.6699	1.3892	1.1017	0.8189	0.6535	1.9583	2.1562	0.8962	0.7572	2.419	1.27	0.9105	0.5979	0.5383	2.1968	4.2831	1.1847	0.5136	0.6021	1.1598	1.0895	0.7226
uracil	0.6634	1.1451	0.6244	0.6409	0.9323	1.0677	0.6459	2.1477	1.0852	3.2181	1.3101	0.6925	0.7941	1.2638	0.501	0.8279	2.1751	2.6736	0.6594	0.6119	0.3591	2.2944	1.6921	1.4363
urate	0.6994	0.7475	0.6197	0.7811	0.9164	1.0671	0.4263	1.6446	1.2536	2.9873	1.0716	0.7623	1.4066	1.7074	0.5564	1.2238	1.7757	2.016	0.5679	0.5284	0.3971	0.9329	1.9884	1.5782
urea	1.0012	1.1134	0.9988	0.4923	1.0031	0.8622	0.8555	1.9745	1.4436	0.8674	0.7732	0.9448	1.2158	1.0773	0.9608	0.9286	1.4427	1.2852	0.9772	0.9887	1.1686	0.9722	1.4004	1.307
uridine	0.5169	0.9203	0.5105	0.9754	1.2084	1.2078	0.7166	1.5211	1.1245	3.0855	1.0246	0.7703	0.7454	1.3935	0.8321	1.347	1.6701	1.5969	0.7992	0.851	0.6433	0.8266	1.9112	1.6793
UMP	0.1121	1.8214	0.1121	2.3778	0.1121	0.1121	0.1885	1.0655	2.347	0.3175	0.1121	3.2736	0.5753	1.4399	0.1121	0.4894	2.0246	0.9466	0.7698	1.0534	0.1121	0.1735	2.1409	0.5676
ursodeoxycholate	1.3883	1.167	0.3717	0.2861	3.5796	0.2425	0.3711	0.1445	0.1379	2.9093	4.6613	1.4979	0.1379	0.1379	0.1379	0.1379	0.1379	1	0.1379	0.1379	0.1379	0.1379	0.1379	0.1379
valerylglycine (C5)	0.6079	1.5774	0.4244	1.2541	0.6515	0.7503	0.4306	2.2753	1.6123	2.5457	0.4013	0.5031	1.139	2.2656	0.861	1.3291	3.3852	2.7385	0.6672	0.5862	0.5363	0.4952	2.5617	2.7651
valine	0.4092	0.6644	0.6429	0.3832	0.8706	0.7376	0.7688	1.1391	0.9125	1.151	0.9489	0.4674	1.1482	1.22	1.1671	1.0876	1.1206	1.3708	1.0511	0.8903	0.8727	1.3257	1.1498	1.0897
xanthine	0.2343	5.5128	0.0619	5.1215	1.5124	0.0619	0.9741	2.0662	2.6932	10.9532	0.6907	7.1793	0.5255	2.6618	0.0619	1.0259	3.635	0.5025	0.9366	0.411	0.1522	0.1	1.2664	0.38
xanthosine	0.7344	0.6615	0.34	1.5142	0.3235	0.7107	0.1252	2.5486	1.6906	18.6824	0.8784	1.2664	1.1216	1.8561	0.1473	0.8687	4.2575	4.3581	0.152	0.1252	0.1252	0.2586	2.3596	1.9891
xanthurenate	0.6167	1.3031	0.8642	2.9682	0.5693	0.5941	0.4105	1.0802	0.9788	0.343	0.622	0.3477	1.0825	1.5354	1.0212	0.8985	2.0775	2.1958	1.1125	0.6841	0.6822	1.7372	1.7603	2.3193
xylose	1.445	3.3703	1.1033	0.9273	2.1215	3.4329	0.9979	1.8679	0.9543	1.1058	0.5625	0.5838	0.5625	0.8641	0.5625	1.2122	1.4119	0.9471	0.6786	0.7598	0.9159	0.7523	1.1431	1.0021
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	PubChem ID	KEGG ID
(12 or 13)-methylmyristate (a15:0 or i15:0)	151014
(14 or 15)-methylpalmitate (a17:0 or i17:0)	17903417
(16 or 17)-methylstearate (a19:0 or i19:0)	3083779
(N(1) + N(8))-acetylspermidine
1-(1-enyl-oleoyl)-GPE (P-18:1)
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)	11146967
1-(1-enyl-palmitoyl)-GPC (P-16:0)	10917802
1-(1-enyl-palmitoyl)-GPE (P-16:0)
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)	9547058
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)
1-(1-enyl-stearoyl)-GPE (P-18:0)
1,2,3-benzenetriol sulfate (2)
1,2-dilinoleoyl-GPC (18:2/18:2)	5288075
1,2-dilinoleoyl-GPE (18:2/18:2)	9546812
1,2-dipalmitoyl-GPC (16:0/16:0)	452110
1,5-anhydroglucitol (1,5-AG)	64960	C07326
10-heptadecenoate (17:1n7)	5312435
10-nonadecenoate (19:1n9)	5312513
10-undecenoate (11:1n1)	14891	C13910
12,13-DiHOME	10236635	C14829
12-HEPE	10041593
12-HETE	5312983
13-HODE + 9-HODE	43013
14-HDoHE/17-HDoHE
16-hydroxypalmitate	10466	C18218
1-arachidonoyl-GPC (20:4)		C05208
1-arachidonoyl-GPE (20:4n6)	42607465
1-arachidonoyl-GPI (20:4)
1-arachidonylglycerol (20:4)	5282281	C13857
1-carboxyethylisoleucine
1-carboxyethylleucine
1-carboxyethylphenylalanine
1-carboxyethyltyrosine
1-carboxyethylvaline
1-dihomo-linolenylglycerol (20:3)
1-docosahexaenoylglycerol (22:6)
1-eicosapentaenoylglycerol (20:5)
1-lignoceroyl-GPC (24:0)
1-linolenoylglycerol (18:3)	53480978
1-linolenoyl-GPC (18:3)
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)
1-linoleoylglycerol (18:2)	5283469
1-linoleoyl-GPC (18:2)	11988421	C04100
1-linoleoyl-GPE (18:2)	52925130
1-linoleoyl-GPG (18:2)
1-linoleoyl-GPI (18:2)
1-methyl-4-imidazoleacetate	75810	C05828
1-methylguanidine	10111	C02294
1-methylhistamine	3614	C05127
1-methylhistidine	92105	C01152
1-methylnicotinamide	10129985	C02918
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)	129657
1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)
1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)	9546753
1-oleoylglycerol (18:1)	5283468
1-oleoyl-GPC (18:1)	16081932
1-oleoyl-GPE (18:1)	9547071
1-oleoyl-GPI (18:1)
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)
1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)
1-palmitoleoylglycerol (16:1)
1-palmitoleoyl-GPC (16:1)	24779461
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)	10747814
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)	9546800
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)	6441886
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)	9546799
1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)	5287971
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)	9546747
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)	6436017
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)	5283496
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)
1-palmitoylglycerol (16:0)	14900
1-palmitoyl-GPC (16:0)	86554
1-palmitoyl-GPE (16:0)	9547069
1-palmitoyl-GPG (16:0)	3300276
1-palmitoyl-GPI (16:0)
1-pentadecanoylglycerol (15:0)	190750
1-ribosyl-imidazoleacetate	5117448	C05131
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)	16219824
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)	5289133
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)	9546798
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)	9546749
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)
1-stearoyl-2-oleoyl-GPC (18:0/18:1)
1-stearoyl-2-oleoyl-GPE (18:0/18:1)
1-stearoyl-GPC (18:0)	497299
1-stearoyl-GPE (18:0)	9547068
1-stearoyl-GPI (18:0)
2,3-dihydroxyisovalerate	677	C04039
2,8-quinolinediol sulfate
2-aminoadipate	469	C00956
2-aminobutyrate	439691	C02261
2-aminoheptanoate	227939
2-aminooctanoate	69522
2-amino-p-cresol sulfate
2-aminophenol sulfate	181670
2-butenoylglycine	6303498
2'-deoxycytidine	13711	C00881
2'-deoxyuridine	13712	C00526
2-hydroxy-3-methylvalerate	164623
2-hydroxyadipate	193530	C02360
2-hydroxybutyrate/2-hydroxyisobutyrate
2-hydroxydecanoate	21488
2-hydroxyglutarate	43	C02630
2-hydroxyhippurate (salicylurate)	10253	C07588
2-hydroxyoctanoate	94180
2-hydroxyoleate	9796304
2-hydroxypalmitate	92836
2-hydroxystearate	69417	C03045
2-keto-3-deoxy-gluconate	161227	C00204
2-linoleoylglycerol (18:2)	5365676
2-methylbutyrylcarnitine (C5)	6426901
2-methylbutyrylglycine (C5)	193872
2-methylcitrate/homocitrate
2-naphthol sulfate	74428
2-oleoylglycerol (18:1)	5319879
2'-O-methylcytidine	150971
2'-O-methyluridine	102212
2-oxindole-3-acetate	3080590
2-oxoadipate	71	C00322
2-oxoarginine	558	C03771
2-palmitoleoyl-GPC (16:1)
2-palmitoyl-GPC (16:0)	15061532
2-stearoyl-GPE (18:0)
3-(3-hydroxyphenyl)propionate	91	C11457
3-(3-hydroxyphenyl)propionate sulfate	187488
3-(4-hydroxyphenyl)lactate (HPLA)	9378	C03672
3-(4-hydroxyphenyl)propionate	10394	C01744
3,4-dihydroxyphenylacetate sulfate	193283
3-acetylphenol sulfate
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)	194501
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)	123979
3-hydroxy-2-ethylpropionate	188979
3-hydroxy-3-methylglutarate	1662	C03761
3-hydroxyadipate	151913
3-hydroxybutyrate (BHBA)	441	C01089
3-hydroxybutyroylglycine
3-hydroxybutyrylcarnitine (1)	53481617
3-hydroxybutyrylcarnitine (2)
3-hydroxycinnamate sulfate	6443141
3-hydroxydecanoate	26612
3-hydroxyhexanoate	151492
3-hydroxyisobutyrate	87	C06001
3-hydroxylaurate	94216
3-hydroxyoctanoate	26613
3-hydroxyoleate
3-hydroxyoleoylcarnitine
3-hydroxypalmitoylcarnitine
3-hydroxypyridine sulfate
3-hydroxysebacate	3017884
3-hydroxystearate	5282907
3-indoxyl sulfate	10258
3-methoxytyrosine	1670
3-methyl-2-oxobutyrate	49	C00141
3-methyl-2-oxovalerate	47	C00671
3-methyladipate	12292
3-methylcrotonylglycine	169485
3-methylcytidine	159649
3-methylglutaconate	1551553
3-methylglutarate/2-methylglutarate
3-methylhistidine	64969	C01152
3-phenylpropionate (hydrocinnamate)	107	C05629
3-phosphoglycerate	724	C00597
3-ureidopropionate	111	C02642
4-acetamidobutanoate	18189	C02946
4-acetylphenyl sulfate	4684006
4-cholesten-3-one	91477	C00599
4-ethylphenyl sulfate		C13637
4-guanidinobutanoate	500	C01035
4-hydroxybenzoate	135	C00156
4-hydroxychlorothalonil	34217
4-hydroxycinnamate	637542	C00811
4-hydroxycinnamate sulfate	6070438
4-hydroxyhippurate	151012
4-hydroxyphenylacetate	127	C00642
4-hydroxyphenylpyruvate	979	C01179
4-imidazoleacetate	96215	C02835
4-methyl-2-oxopentanoate	70	C00233
4-methylcatechol sulfate
4-vinylguaiacol sulfate
4-vinylphenol sulfate	6426766	C05627
5,6-dihydrothymine	93556	C00906
5,6-dihydrouracil	649	C00429
5,6-dihydrouridine	94312
5-dodecenoate (12:1n7)	5312378
5-dodecenoylcarnitine (C12:1)
5-hydroxyhexanoate	170748
5-hydroxylysine	1029	C16741
5-methyl-2'-deoxycytidine	440055	C03592
5-methylcytidine	92918
5-methylthioadenosine (MTA)	439176	C00170
5-methylthioribose	494
5-methyluridine (ribothymidine)	445408
5-oxoproline	7405	C01879
6-hydroxyindole sulfate
6-oxopiperidine-2-carboxylate	3014237
7-HOCA	3081085	C17337
7-ketodeoxycholate	188292
7-methylguanine	11361	C02242
9,10-DiHOME	9966640	C14828
acetylcarnitine (C2)	1	C02571
acetylphosphate	186	C00227
aconitate [cis or trans]
adenine	190	C00147
adenosine	60961	C00212
AMP	6083	C00020
adipate	196	C06104
adipoylcarnitine (C6-DC)	71296139
adrenate (22:4n6)	5497181	C16527
alanine	5950	C00041
allantoin	204	C02350
alpha-hydroxyisocaproate	83697	C03264
alpha-hydroxyisovalerate	99823
alpha-ketoglutaramate
alpha-ketoglutarate	51	C00026
alpha-muricholate	3083761	C17647
alpha-tocopherol	14985	C02477
anserine	112072	C01262
arabinose	66308	C00216
arabitol/xylitol	6912	C01904
arabonate/xylonate
arachidate (20:0)	10467	C06425
arachidonate (20:4n6)	444899	C00219
arachidonoylcarnitine (C20:4)
arachidoylcarnitine (C20)
argininate	160437
arginine	232	C00062
argininosuccinate	828	C03406
asparagine	6267	C00152
aspartate	5960	C00049
azelate (nonanedioate; C9)	2266	C08261
behenoyl dihydrosphingomyelin (d18:0/22:0)
behenoyl sphingomyelin (d18:1/22:0)
behenoylcarnitine (C22)
benzoate	243	C00180
beta-hydroxyisovalerate	69362
betaine	247	C00719
beta-muricholate	5283853	C17726
beta-sitosterol	222284	C01753
betonicine	164642	C08269
bilirubin (E,E)	5315454
bilirubin	5280352	C00486
biliverdin	5353439	C00500
biopterin	445040	C06313
butyrylcarnitine (C4)	439829	C02862
butyrylglycine (C4)	88412
caffeic acid sulfate
campesterol	173183	C01789
caprate (10:0)	2969	C01571
caproate (6:0)	8892	C01585
caprylate (8:0)	379	C06423
carboxyethyl-GABA	2572
carnitine	10917	C00318
carnosine	439224	C00386
carotene diol (1)
carotene diol (2)
catechol sulfate	3083879
ceramide (d16:1/24:1, d18:1/22:1)
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)
ceramide (d18:2/24:1, d18:1/24:2)
C-glycosyltryptophan	10981970
chenodeoxycholate	10133	C02528
chiro-inositol		C19891
cholate	221493	C00695
cholesterol	11025495	C00187
choline	305	C00114
phosphocholine	1014	C00588
cinnamoylglycine	709625
cis-4-decenoylcarnitine (C10:1)
cis-urocanate	1549103
citrate	311	C00158
citrulline	9750	C00327
corticosterone	5753	C02140
creatine	586	C00300
creatine phosphate	587	C02305
creatinine	588	C00791
cystathionine	439258	C02291
cysteine	5862	C00097
cysteine s-sulfate	115015	C05824
cysteine sulfinic acid	109	C00606
cysteine-glutathione disulfide	4247235
cysteinylglycine disulfide
cystine	67678	C00491
cytidine	6175	C00475
CMP	6131	C00055
cytosine	597	C00380
daidzein	5281708	C10208
daidzein 7-O-glucuronide	11316354
daidzein sulfate (1)
daidzein sulfate (2)
decanoylcarnitine (C10)	10245190
deoxycarnitine	134	C01181
deoxycholate	222528	C04483
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])
dihomolinoleate (20:2n6)	6439848	C16525
dihomolinolenate (20:3n3 or 3n6)	5280581	C03242
dihomo-linolenoylcarnitine (C20:3n3 or 6)
dihomo-linoleoylcarnitine (C20:2)
dihydroorotate	648	C00337
dimethylarginine (ADMA + SDMA)	123831	C03626
dimethylglycine	673	C01026
docosadienoate (22:2n6)	5282807	C16533
docosadioate (C22-DC)	244872	C19625
docosahexaenoate (DHA; 22:6n3)	445580	C06429
docosahexaenoylcarnitine (C22:6)
docosapentaenoate (DPA; 22:5n3)	6441454	C16513
docosapentaenoate (n6 DPA; 22:5n6)	6441454	C16513
docosapentaenoylcarnitine (C22:5n3)
docosatrienoate (22:3n3)	5312556	C16534
dodecadienoate (12:2)
dodecanedioate (C12)	12736	C02678
dodecenedioate (C12:1-DC)
ectoine	126041	C06231
eicosanedioate (C20-DC)	75502
eicosapentaenoate (EPA; 20:5n3)	446284	C06428
eicosenoate (20:1n9 or 1n11)	5282768	C16526
eicosenoylcarnitine (C20:1)
equol glucuronide
equol sulfate
ergothioneine	3032311	C05570
erucate (22:1n9)	5281116	C08316
erythronate	2781043
ethyl glucuronide	152226
ethylmalonate	11756
ferulic acid 4-sulfate	6305574
FAD	643975	C00016
formiminoglutamate	439233	C00439
fructose	5984	C00095
fumarate	444972	C00122
galactonate	128869	C00880
gamma-glutamyl-2-aminobutyrate
gamma-glutamylalanine	440103
gamma-glutamyl-alpha-lysine	65254
gamma-glutamylcitrulline
gamma-glutamyl-epsilon-lysine	7015685
gamma-glutamylglutamate	92865	C05282
gamma-glutamylglutamine	150914	C05283
gamma-glutamylglycine	165527
gamma-glutamylhistidine	7017195
gamma-glutamylisoleucine	14253342
gamma-glutamylleucine	151023
gamma-glutamylmethionine	7009567
gamma-glutamylphenylalanine	111299
gamma-glutamylthreonine	76078708
gamma-glutamyltryptophan	3989307
gamma-glutamyltyrosine	94340
gamma-glutamylvaline	7015683
gamma-tocopherol/beta-tocopherol
genistein	5280961	C06563
genistein glucuronide
genistein sulfate
gentisate	3469	C00628
gluconate	10690	C00257
glucose	79025	C00031
glucuronate	444791	C00191
glucuronide of C14H22O4 (2)
glutamate	611	C00025
glutamine	5961	C00064
glutarate (C5-DC)	743	C00489
glutaroylcarnitine (C5)	71464488
glutathione, oxidized (GSSG)	65359	C00127
glycerate	752	C00258
glycerol	753	C00116
glycerol 3-phosphate	754	C00093
glycerophosphoethanolamine	123874	C01233
glycerophosphoglycerol	439964	C03274
glycerophosphoinositol	167572
glycerophosphorylcholine (GPC)	71920	C00670
glycine	750	C00037
glycolate (hydroxyacetate)	757	C00160
glycosyl ceramide (d16:1/24:1, d18:1/22:1)
glycosyl ceramide (d18:1/20:0, d16:1/22:0)
glycosyl ceramide (d18:1/23:1, d17:1/24:1)
glycosyl ceramide (d18:2/24:1, d18:1/24:2)
glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)
glycosyl-N-nervonoyl-sphingosine (d18:1/24:1)
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)
glycylvaline	97417
guanidinoacetate	763	C00581
guanosine	6802	C00387
5'- GMP	6804	C00144
gulonate	9794176	C00257
heme	26945	C00032
heneicosapentaenoate (21:5n3)	11998573
heptanoate (7:0)	8094	C17714
heptanoyl glycine	10932172
heptenedioate (C7:1-DC)
hexadecadienoate (16:2n6)
hexadecanedioate (C16)	10459	C19615
hexadecatrienoate (16:3n3)	5312428
hexadecenedioate (C16:1-DC)
hexanoylcarnitine (C6)	6426853
hexanoylglycine (C6)	99463
hippurate	464	C01586
histamine	774	C00388
histidine	6274	C00135
histidine betaine (hercynine)	3083620
homoarginine	9085	C01924
homocitrulline	65072	C02427
homostachydrine	441447	C08283
homovanillate sulfate	29981063
hydantoin-5-propionate	782	C05565
hydroxyasparagine	97663	C03124
hyodeoxycholate	5283820	C15517
hypotaurine	107812	C00519
hypoxanthine	790	C00262
imidazole lactate	440129	C05568
imidazole propionate	70630
indole-3-carboxylate	69867	C19837
indoleacetate	802	C00954
indoleacetylglycine	446640
indoleacrylate	15030923
indolelactate	92904	C02043
indolepropionate	3744
indolepropionylglycine	7677842
indoxyl glucuronide	2733785
inosine	6021	C00294
inosine 5'-monophosphate (IMP)	8582	C00130
isobutyrylcarnitine (C4)	168379
isobutyrylglycine (C4)	10855600
isocaproylglycine
isocitrate	1198	C00311
isocitric lactone	98259
isoleucine	6306	C00407
isovalerate (C5)	10430	C08262
isovalerylcarnitine (C5)	6426851
isovalerylglycine	546304
kynurenate	3845	C01717
kynurenine	161166	C00328
lactate	612	C00186
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)
lanthionine	98504
laurate (12:0)	3893	C02679
laurylcarnitine (C12)	10427569
leucine	6106	C00123
lignoceroyl sphingomyelin (d18:1/24:0)
lignoceroylcarnitine (C24)
linoleate (18:2n6)	5280450	C01595
linolenate (18:3n3 or 3n6)	5280934	C06426
linolenoylcarnitine (C18:3)
linoleoyl ethanolamide	5283446
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]
linoleoylcarnitine (C18:2)	6450015
linoleoylcholine
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]
lysine	5962	C00047
malate	525	C00149
maleate	444266	C01384
malonate	867	C00383
malonylcarnitine	22833583
mannitol/sorbitol	5780	C00794
mannose	18950	C00159
margarate (17:0)	10465
margaroylcarnitine (C17)
mead acid (20:3n9)	5312531
methionine	6137	C00073
methionine sulfone	69961
methionine sulfoxide	158980	C02989
methyl glucopyranoside (alpha + beta)
methyl indole-3-acetate	74706
methylmalonate (MMA)	487	C02170
methylnaphthyl sulfate (1)
methylphosphate	13130
methylsuccinate	10349
mevalonate	439230	C02104
mevalonolactone	10428
myo-inositol	892	C00137
myristate (14:0)	11005	C06424
myristoleate (14:1n5)	5281119	C08322
myristoleoylcarnitine (C14:1)	90659872
myristoylcarnitine (C14)	6426854
N-(2-furoyl)glycine	21863
N,N,N-trimethyl-5-aminovalerate
N1-Methyl-2-pyridone-5-carboxamide	69698	C05842
N1-Methyl-4-pyridone-3-carboxamide	440810	C05843
1-methyladenosine	27476	C02494
N1-methylinosine	65095
N2,N2-dimethylguanosine	92919
N2,N5-diacetylornithine	10398396
N2,N6-diacetyllysine	91827
N2-acetyllysine	92907	C12989
N6,N6,N6-trimethyllysine	440120	C03793
N6-acetyllysine	92832	C02727
N6-carbamoylthreonyladenosine	161466
N6-carboxymethyllysine	123800
N6-succinyladenosine	165243
N-acetyl-1-methylhistidine	193270
N-acetyl-2-aminooctanoate	95555
N-acetyl-3-methylhistidine	193270
N-acetylalanine	88064	C02847
N-acetylarginine	67427	C02562
N-acetylasparagine	99715
N-acetylaspartate (NAA)	65065	C01042
N-acetyl-aspartyl-glutamate (NAAG)	5255	C12270
N-acetyl-beta-alanine	76406	C01073
N-acetylcitrulline	656979	C15532
N-acetylglucosamine/N-acetylgalactosamine	24139
N-acetylglucosaminylasparagine	123826	C04540
N-acetylglutamate	70914	C00624
N-acetylglutamine	182230	C02716
N-acetylglycine	10972
N-acetylhistidine	75619	C02997
N-acetylisoleucine	2802421
N-acetyl-isoputreanine
N-acetylkynurenine (2)
N-acetylleucine	70912	C02710
N-acetylmethionine	448580	C02712
N-acetylmethionine sulfoxide	193368
N-acetylneuraminate	439197	C00270
N-acetylphenylalanine	74839	C03519
N-acetylputrescine	122356	C02714
N-acetylpyrraline
N-acetylserine	65249
N-acetyltaurine	159864
N-acetylthreonine	152204
N-acetyltryptophan	700653	C03137
N-acetyltyrosine	68310
N-acetylvaline	66789
N-alpha-acetylornithine	439232	C00437
N-behenoyl-sphingadienine (d18:2/22:0)
N-delta-acetylornithine	9920500
N-formylanthranilic acid	101399	C05653
N-formylmethionine	439750	C03145
N-formylphenylalanine	759256
N-glycolylneuraminate	123802	C03410
nicotinamide	936	C00153
nicotinamide N-oxide	72661
nicotinate ribonucleoside	161234	C05841
nisinate (24:6n3)	11792612
N-linoleoyltaurine
N-methylproline	557
N-monomethylarginine	132862	C03884
N-octanoylglycine	84290
N-oleoyltaurine	6437033
nonadecanoate (19:0)	12591	C16535
N-palmitoylglycine	151008
N-palmitoyl-sphinganine (d18:0/16:0)	5283572
N-palmitoyl-sphingosine (d18:1/16:0)	5283564
N-palmitoyltaurine
N-stearoyl-sphingosine (d18:1/18:0)	5283565
N-stearoyltaurine	168274
o-cresol sulfate	11615528
octadecadienedioate (C18:2-DC)
octadecanedioylcarnitine (C18-DC)
octadecenedioate (C18:1-DC)
octadecenedioylcarnitine (C18:1-DC)
octanoylcarnitine (C8)	123701	C02838
oleate/vaccenate (18:1)
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]
oleoylcarnitine (C18)	6441392
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]
oleoyl-oleoyl-glycerol (18:1/18:1) [2]
ophthalmate	7018721
ornithine	6262	C00077
orotate	967	C00295
orotidine	92751
O-sulfo-L-tyrosine	514186
oxalate (ethanedioate)	971	C00209
palmitate (16:0)	985	C00249
palmitoleate (16:1n7)	445638	C08362
palmitoleoyl-arachidonoyl-glycerol (16:1/20:4) [2]
palmitoleoylcarnitine (C16:1)	71464547
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]
palmitoyl dihydrosphingomyelin (d18:0/16:0)	9939965
palmitoyl sphingomyelin (d18:1/16:0)	9939941
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]
palmitoylcarnitine (C16)	461	C02990
palmitoylcholine	151731
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]	9543695
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]
pantothenate (Vitamin B5)	6613	C00864
p-cresol glucuronide	154035
p-cresol sulfate	4615423
pentadecanoate (15:0)	13849	C16537
pentadecanoylcarnitine (C15)
perfluorooctanesulfonate (PFOS)	74483	C18142
phenol glucuronide	87235
phenol sulfate	74426	C02180
phenylacetate	999	C07086
phenylacetylglycine	68144	C05598
phenylalanine	6140	C00079
phenyllactate (PLA)	3848	C05607
phenylpropionylglycine	152323
phenylpyruvate	997	C00166
phosphate	1061	C00009
phosphoenolpyruvate (PEP)	1005	C00074
phosphoethanolamine (PE)	1015	C00346
picolinate	1018	C10164
pimelate (C7-DC)	385	C02656
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)
pipecolate	849	C00408
prolylhydroxyproline	11673055
proline	145742	C00148
prolylglycine	6426709
propionylcarnitine (C3)	107738	C03017
propionylglycine (C3)	98681
pseudouridine	15047	C02067
putrescine	1045	C00134
pyridoxal	1050	C00250
pyridoxate	6723	C00847
pyroglutamine	134508
pyrraline	122228
pyruvate	1060	C00022
quinate	6508	C00296
quinolinate	1066	C03722
retinal	638015	C00376
retinol (Vitamin A)	445354	C00473
ribitol	6912	C00474
ribonate (ribonolactone)	5460677	C01685
ribose	5779	C00121
ribulonate/xylulonate
S-(3-hydroxypropyl)mercapturic acid (HPMA)	3371179
S-adenosylhomocysteine (SAH)	439155	C00021
salicylate	338	C00805
sarcosine	1088	C00213
sebacate (C10-DC)	5192	C08277
serine	5951	C00065
serotonin	5202	C00780
S-methylcysteine	24417
S-methylcysteine sulfoxide	82142
S-methylglutathione	3605667	C11347
spermidine	1102	C00315
sphingadienine	6449795
sphinganine	3126	C00836
sphinganine-1-phosphate	520
sphingomyelin (d17:1/14:0, d16:1/15:0)
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)
sphingomyelin (d17:2/16:0, d18:2/15:0)
sphingomyelin (d18:0/18:0, d19:0/17:0)
sphingomyelin (d18:1/14:0, d16:1/16:0)	11433862
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)
sphingomyelin (d18:1/18:1, d18:2/18:0)	6443882
sphingomyelin (d18:1/19:0, d19:1/18:0)
sphingomyelin (d18:1/20:0, d16:1/22:0)
sphingomyelin (d18:1/20:1, d18:2/20:0)
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)
sphingomyelin (d18:1/24:1, d18:2/24:0)
sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0, d19:1/24:0)
sphingomyelin (d18:2/14:0, d18:1/14:1)
sphingomyelin (d18:2/16:0, d18:1/16:1)
sphingomyelin (d18:2/18:1)
sphingomyelin (d18:2/21:0, d16:2/23:0)
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)
sphingomyelin (d18:2/23:1)
sphingomyelin (d18:2/24:1, d18:1/24:2)
sphingomyelin (d18:2/24:2)
sphingosine	5353955	C00319
sphingosine 1-phosphate	5283560	C06124
stachydrine	115244	C10172
stearidonate (18:4n3)	5312508	C16300
stearoyl sphingomyelin (d18:1/18:0)	6453725	C00550
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]
stearoylcarnitine (C18)	6426855
stearoyl-linoleoyl-glycerol (18:0/18:2) [2]
suberate (C8-DC)	10457	C08278
suberoylcarnitine (C8-DC)
succinate	1110	C00042
succinylcarnitine (C4)	71464481
sucrose	5988	C00089
sulfate	1118	C00059
tartronate (hydroxymalonate)	45	C02287
taurine	1123	C00245
tauro-alpha-muricholate
tauro-beta-muricholate	168408
taurochenodeoxycholate	387316	C05465
taurocholate	6675	C05122
taurodeoxycholate	2733768	C05463
taurohyodeoxycholic acid	119046
tauroursodeoxycholate	9848818
tetradecanedioate (C14)	13185
thiamin (Vitamin B1)	1130	C00378
thioproline	93176
threonate	151152	C01620
threonine	6288	C00188
thymidine	5789	C00214
thymine	1135	C00178
thyroxine	5819	C01829
tigloylglycine	6441567
trans-2-hexenoylglycine
hydroxyproline	5810	C01157
trans-urocanate	736715	C00785
tricarballylate	14925	C19806
tricosanoyl sphingomyelin (d18:1/23:0)
trigonelline (N'-methylnicotinate)	5570	C01004
trimethylamine N-oxide	1145	C01104
trizma acetate	6503	C07182
tryptophan	6305	C00078
tyrosine	6057	C00082
undecanedioate (C11-DC)	15816
uracil	1174	C00106
urate	1175	C00366
urea	1176	C00086
uridine	6029	C00299
UMP	6030	C00105
ursodeoxycholate	31401	C07880
valerylglycine (C5)	4737557
valine	6287	C00183
xanthine	1188	C00385
xanthosine	64959	C01762
xanthurenate	5699	C02470
xylose	135191	C00181
METABOLITES_END
#END