#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