#METABOLOMICS WORKBENCH cmtherio_20180226_070340 DATATRACK_ID:1317 STUDY_ID:ST000930 ANALYSIS_ID:AN001524 PROJECT_ID:PR000644 VERSION 1 CREATED_ON February 28, 2018, 11:28 am #PROJECT PR:PROJECT_TITLE Alterations in the gut metabolome throughout C. difficile infection PR:PROJECT_SUMMARY C57BL/6 mice were treated with antibiotics to make them susceptible to C. PR:PROJECT_SUMMARY difficile. Mice were challenged with C. difficile and the infection was PR:PROJECT_SUMMARY monitored for 30 hours post challenge. Mice were sacrificed at 12 hr, 24 hr, and PR:PROJECT_SUMMARY 30 hr post challenge with C. difficile and gut content was collected for PR:PROJECT_SUMMARY untargeted metabolomic analysis. The aim of this project was to define the gut PR:PROJECT_SUMMARY metabolome throughout C. difficile infection. PR:INSTITUTE North Carolina State University PR:DEPARTMENT Population Health and Pathobiology PR:LABORATORY Theriot PR:LAST_NAME Casey Theriot PR:FIRST_NAME Casey Theriot PR:ADDRESS 1051 William Moore Drive, Raleigh, NC, 27607, USA PR:EMAIL cmtherio@ncsu.edu PR:PHONE 9195130711 PR:FUNDING_SOURCE NIGMS K01 and R35 #STUDY ST:STUDY_TITLE Define alterations in the gut metabolome of mice infected with C. difficile ST:STUDY_TYPE Time course experiment ST:STUDY_SUMMARY C57BL/6 mice were treated with antibiotics to make them susceptible to C. ST:STUDY_SUMMARY difficile. Mice were challenged with C. difficile and the infection was ST:STUDY_SUMMARY monitored for 30 hours post challenge. Mice were sacrificed at 0 hr, 12 hr, 24 ST:STUDY_SUMMARY hr, and 30 hr post challenge with C. difficile and gut content was collected for ST:STUDY_SUMMARY untargeted metabolomic analysis. The aim of this project was to define the gut ST:STUDY_SUMMARY metabolome throughout C. difficile infection. ST:INSTITUTE North Carolina State University ST:DEPARTMENT PHP ST:LABORATORY Theriot ST:LAST_NAME Theriot ST:FIRST_NAME Casey ST:ADDRESS 1051 William Moore Drive ST:EMAIL cmtherio@ncsu.edu ST:PHONE 919-513-0711 ST:NUM_GROUPS 4 ST:TOTAL_SUBJECTS 31 ST:NUM_MALES 16 ST:NUM_FEMALES 15 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN C57BL/6 SU:AGE_OR_AGE_RANGE 5-8 SU:GENDER Male and female SU:ANIMAL_LIGHT_CYCLE 12 hr cycle of light and darkness #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - CD_0hr_2 Hours:- SUBJECT_SAMPLE_FACTORS - CD_0hr_3 Hours:- SUBJECT_SAMPLE_FACTORS - CD_0hr_4 Hours:- SUBJECT_SAMPLE_FACTORS - CD_0hr_5 Hours:- SUBJECT_SAMPLE_FACTORS - CD_0hr_6 Hours:- SUBJECT_SAMPLE_FACTORS - CD_0hr_7 Hours:- SUBJECT_SAMPLE_FACTORS - CD_0hr_8 Hours:- SUBJECT_SAMPLE_FACTORS - CD_12hr_1 Hours:12 SUBJECT_SAMPLE_FACTORS - CD_12hr_2 Hours:12 SUBJECT_SAMPLE_FACTORS - CD_12hr_3 Hours:12 SUBJECT_SAMPLE_FACTORS - CD_12hr_4 Hours:12 SUBJECT_SAMPLE_FACTORS - CD_12hr_5 Hours:12 SUBJECT_SAMPLE_FACTORS - CD_12hr_6 Hours:12 SUBJECT_SAMPLE_FACTORS - CD_12hr_7 Hours:12 SUBJECT_SAMPLE_FACTORS - CD_12hr_8 Hours:12 SUBJECT_SAMPLE_FACTORS - CD_24hr_1 Hours:24 SUBJECT_SAMPLE_FACTORS - CD_24hr_2 Hours:24 SUBJECT_SAMPLE_FACTORS - CD_24hr_3 Hours:24 SUBJECT_SAMPLE_FACTORS - CD_24hr_4 Hours:24 SUBJECT_SAMPLE_FACTORS - CD_24hr_5 Hours:24 SUBJECT_SAMPLE_FACTORS - CD_24hr_6 Hours:24 SUBJECT_SAMPLE_FACTORS - CD_24hr_7 Hours:24 SUBJECT_SAMPLE_FACTORS - CD_24hr_8 Hours:24 SUBJECT_SAMPLE_FACTORS - CD_30hr_1 Hours:30 SUBJECT_SAMPLE_FACTORS - CD_30hr_2 Hours:30 SUBJECT_SAMPLE_FACTORS - CD_30hr_3 Hours:30 SUBJECT_SAMPLE_FACTORS - CD_30hr_4 Hours:30 SUBJECT_SAMPLE_FACTORS - CD_30hr_5 Hours:30 SUBJECT_SAMPLE_FACTORS - CD_30hr_6 Hours:30 SUBJECT_SAMPLE_FACTORS - CD_30hr_7 Hours:30 SUBJECT_SAMPLE_FACTORS - CD_30hr_8 Hours:30 #COLLECTION CO:COLLECTION_SUMMARY Cecal content was collected from mice at the time of necropsy and flash frozen CO:COLLECTION_SUMMARY in liquid nitrogen until later metabolomics analysis. CO:SAMPLE_TYPE Cecum CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY Mice were treated with cefoperazone in their drinking water for 5 days with a TR:TREATMENT_SUMMARY two day washout before being challenged with C. difficile spores. Mice were TR:TREATMENT_SUMMARY euthanized at time 0hr, prior to C. difficile challenge, and post challenge at TR:TREATMENT_SUMMARY 12, 24, and 30 hr. The cecum of mice was collected, flash frozen and stored in TR:TREATMENT_SUMMARY the -80C until processing. #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 BEH C8 (100 x 2mm, 1.7um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS scaled intensity MS_METABOLITE_DATA_START Samples CD_0hr_2 CD_0hr_3 CD_0hr_4 CD_0hr_5 CD_0hr_6 CD_0hr_7 CD_0hr_8 CD_12hr_1 CD_12hr_2 CD_12hr_3 CD_12hr_4 CD_12hr_5 CD_12hr_6 CD_12hr_7 CD_12hr_8 CD_24hr_1 CD_24hr_2 CD_24hr_3 CD_24hr_4 CD_24hr_5 CD_24hr_6 CD_24hr_7 CD_24hr_8 CD_30hr_1 CD_30hr_2 CD_30hr_3 CD_30hr_4 CD_30hr_5 CD_30hr_6 CD_30hr_7 CD_30hr_8 Factors Hours:- Hours:- Hours:- Hours:- Hours:- Hours:- Hours:- Hours:12 Hours:12 Hours:12 Hours:12 Hours:12 Hours:12 Hours:12 Hours:12 Hours:24 Hours:24 Hours:24 Hours:24 Hours:24 Hours:24 Hours:24 Hours:24 Hours:30 Hours:30 Hours:30 Hours:30 Hours:30 Hours:30 Hours:30 Hours:30 1-methylguanidine 0.984 0.7894 0.8729 1.0914 0.9587 1.1796 0.9174 1.1733 0.8528 1.1133 1.1951 1.105 1.016 1.1896 0.9096 1.1861 0.9142 1.7122 1.4407 0.9336 1.5276 1.3811 1.5528 1.0567 0.6409 0.4843 0.7659 0.848 0.325 0.842 0.2742 1-methylhistidine 0.6802 1.0663 0.6056 0.7408 0.7449 1.2943 1.8532 0.5905 0.2591 0.3231 0.6509 0.4628 0.8822 0.2464 0.3561 0.5379 0.6286 0.8172 1.0606 2.0462 1.0823 1.7498 0.9394 1.8924 3.7912 6.0825 5.7926 6.1529 5.5603 2.3905 1.8029 1-methylimidazoleacetate 0.7762 1.0735 0.7472 1.004 0.9759 1.0262 1.483 1.1759 0.9652 0.7578 0.7461 0.921 1.2903 0.6031 0.7235 1.0693 1.0663 2.0031 1.6137 0.6636 1.0441 0.999 1.7082 2.6111 0.7757 0.8609 1.001 0.8172 0.4997 1.1094 0.4743 2-(4-hydroxyphenyl)propionate 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 2-aminoadipate 0.9208 0.9956 0.9647 1.1309 0.9785 1.014 1.1091 1.0998 1.0666 1.081 1.0044 1.1071 1.1846 0.8745 0.994 1.1678 1.219 1.1651 1.1824 0.7754 1.0503 1.1294 1.0546 0.7327 0.702 0.4951 0.5876 0.6379 0.3619 0.79 0.1138 2-aminobutyrate 0.3195 0.2915 0.2353 0.2484 0.2253 0.2964 0.3544 0.5845 1.3611 0.377 0.4502 0.5363 0.8797 0.3545 0.5953 1.1203 0.7811 1.5406 0.6449 5.1024 1.8687 1.5844 1.6013 1.6637 8.1732 8.6769 10.6602 7.3967 7.6577 3.7448 1.3883 2-hydroxy-3-methylvalerate 0.9693 1.1767 1.0626 1.8218 1.5196 1.5976 2.6261 1.0119 1.1523 0.9881 0.966 1.3375 0.1954 0.8912 1.2112 0.3502 1.4914 2.3606 2.1394 0.905 3.6899 2.3916 3.2576 0.3596 0.6114 0.4959 0.4821 0.6802 0.3861 0.7256 0.0861 2-hydroxybutyrate/2-hydroxyisobutyrate 0.1271 0.1476 0.1271 0.1999 0.2413 0.1555 0.2871 0.3973 0.4828 0.3167 0.2725 0.4882 0.2543 0.2541 0.4265 2.6322 2.6624 4.1119 2.0935 4.5771 8.3494 3.9259 5.3595 1.8512 6.4224 5.657 6.3671 7.8832 3.5046 4.234 1 2-methylbutyrylcarnitine (C5) 0.8889 1.0215 1.0769 0.6598 0.3635 0.7444 0.8337 0.8804 0.8471 0.8343 1 0.5961 0.1347 0.6964 0.7471 0.1347 2.1798 1.2356 2.413 2.3739 0.9267 2.6995 1.7156 0.1947 2.8011 2.6866 3.4095 3.5684 3.9484 2.8395 2.2342 3-(4-hydroxyphenyl)lactate 0.6253 0.8955 1.0054 1.0715 0.7752 1.037 1.0753 0.5849 0.9035 0.7342 0.4104 1.1264 0.8451 0.9507 0.8003 1.4135 2.0834 2.1806 2.901 1.5539 2.9759 2.4981 3.2666 0.4865 1.3171 0.8713 0.9946 1.5671 0.3853 1.7266 0.1212 3-hydroxyisobutyrate 0.5175 0.621 0.5119 0.8659 0.9271 0.9522 1 1.1144 0.5018 0.8488 0.8504 0.8744 0.8393 0.2053 0.2053 1.1153 1.0844 2.0753 1.4909 3.657 2.5591 2.0757 2.6663 3.7021 1.2855 0.821 1.5796 1.1039 0.4372 1.0766 0.2053 3-methyl-2-oxobutyrate 0.2872 0.5675 0.19 0.3932 0.346 0.5822 0.5878 0.3341 0.4756 0.2858 0.2417 0.2633 0.9563 0.19 0.2844 1.4421 4.1749 5.6924 6.3737 1.2859 3.2661 9.0497 3.9708 2.9397 2.3336 1.9553 3.9944 1.6621 1.7318 1 0.3772 3-methyl-2-oxovalerate 0.1216 0.3484 0.28 0.19 0.1886 0.1874 0.3593 0.5211 0.2279 0.4636 0.1644 0.5871 0.0862 0.1323 0.4642 0.8717 1.6649 1.5581 3.5521 1.8561 1.1283 5.4447 2.264 2.731 2.4248 3.8796 2.8366 1.7727 2.1301 1.6894 1.3852 3-methylhistidine 0.8477 1.5991 0.6712 0.3592 0.9093 1 0.9245 0.9734 0.6022 0.4386 0.9775 0.6093 1.464 0.3968 0.5391 0.4874 0.7413 1.5134 1.1245 1.5861 1.3089 1.5764 1.2894 0.2144 3.637 3.8035 2.6776 3.6451 2.1584 2.3892 0.2144 3-sulfo-L-alanine 0.8507 0.7441 0.6554 1.15 0.99 1.2486 1.4058 1.1225 0.6305 0.7496 1.1446 0.9704 2.7611 0.9602 0.663 1.3241 1.4639 1.8864 1.6876 0.7937 2.3628 1.743 2.0602 1.01 0.5924 0.4257 0.2908 0.4218 0.2374 1.052 0.2366 4-acetamidobutanoate 0.7852 0.9291 0.6214 0.9297 0.7127 0.8542 1.1405 0.6988 0.6475 0.749 0.7941 0.7433 1.5693 0.5393 0.6042 2.7424 1.0484 1.1468 1.273 0.8925 1.2503 1.0136 1.2276 3.1915 1.0105 1.3458 1.1965 1.1903 0.9895 1.1655 0.9375 4-guanidinobutanoate 0.8964 0.9958 1.0486 1.2236 1.0031 1.2698 1.1026 0.8839 0.9564 1.1138 0.9662 0.9193 1.2344 0.8256 0.95 0.9227 0.9336 1.2613 1.0798 1.1782 1.3311 1.3838 1.1507 0.9572 0.9969 0.8949 1.0098 1.1694 0.9484 1.3184 0.1575 4-hydroxycinnamate 0.6654 1.255 0.9133 1.0764 1.4877 1.0301 1.4593 0.8944 0.879 0.908 1.7401 0.9259 0.7547 0.9523 1.0104 0.6447 0.8148 1.3321 1.3863 1.1407 1.5676 1.4245 1.469 0.5442 0.7521 1.0588 1.0251 0.9896 0.7698 0.9082 0.3133 4-hydroxycinnamate sulfate 0.9523 1.4933 1.1756 1.049 1.0368 1.2066 1.5394 1.3684 1.4738 1.3241 0.6113 1 1.5412 0.5761 1.2881 0.7956 1.11 1.6487 0.939 0.6188 0.7797 0.8446 1.4037 0.3848 0.7148 0.306 0.4411 0.5033 0.208 1.0377 0.1681 4-hydroxyglutamate 0.4803 0.4803 0.4803 0.4803 0.4803 0.5429 0.4803 1.1754 0.4803 0.4803 0.4803 0.9563 2.4636 0.6173 0.4803 1.2095 0.9929 1.3156 1.4276 0.8309 0.4978 1.4358 1.0071 1.5372 0.9623 0.5571 0.4803 0.8761 0.4803 1.2805 0.4803 4-hydroxyphenylacetate 0.1223 0.1223 0.1223 0.1223 0.1223 0.1223 0.1223 0.1223 0.1223 0.1223 0.1223 0.1223 0.1223 0.1223 0.1223 0.3083 1.3876 1.1186 2.0368 0.6779 1.1965 1.6137 1.7625 0.635 1.0273 0.8767 0.9727 1.2311 0.5206 2.1591 0.2249 4-hydroxyphenylpyruvate 0.1886 0.4956 0.341 0.2167 0.1908 0.2452 0.4443 0.3572 0.312 0.4333 0.2129 0.3506 0.4202 0.1785 0.3504 0.9214 2.3533 1.7162 5.1325 2.1858 1.0786 4.3884 1.9809 3.5441 3.0803 6.3838 3.9981 3.3302 2.4782 2.5287 3.0472 4-imidazoleacetate 0.3565 0.6007 0.4266 0.4174 0.423 0.6358 0.8553 0.5393 0.5225 0.4346 0.3079 0.4278 1.184 0.2726 0.423 2.5676 1.4879 1.4165 1.6961 1.0057 0.9943 1.0129 1.1112 59.1065 2.6886 1.7704 3.1866 2.6137 1.2694 7.9143 0.428 4-methyl-2-oxopentanoate 0.258 0.5033 0.3912 0.2027 0.2155 0.2159 0.5631 0.6362 0.337 0.6477 0.2792 0.6285 0.1003 0.2676 0.5659 0.9605 2.2587 1.7536 2.7177 2.1669 1.0395 5.1275 1.7464 2.3709 3.049 4.7559 3.1913 2.2193 2.6259 2.2782 2.2946 4-methylthio-2-oxobutanoate 0.3242 0.3242 0.3242 0.3242 0.3242 0.3242 0.3242 0.3242 0.3242 0.3242 0.3242 0.3242 0.3242 0.3242 0.3242 0.3242 1.1226 0.5506 1.5859 0.423 0.3887 3.8513 1 2.2785 1.274 2.0683 1.6664 0.8984 0.4033 0.5886 0.4694 5-aminovalerate 0.0121 0.0126 0.0167 0.0156 0.0158 0.0169 0.0211 0.4217 1.1938 0.3392 0.2382 0.6543 0.0557 0.4169 0.8062 1.7995 2.2202 2.2352 2.8658 2.0272 2.1646 2.3145 2.3384 2.0188 2.1383 1.804 2.0153 2.2299 1.3318 2.4499 0.7417 5-hydroxylysine 0.9666 0.6183 0.6708 1.1438 0.9407 0.9939 1.2555 0.6161 0.5067 0.6228 0.8815 0.8259 1.1018 1.4763 0.5825 2.8937 0.7961 1.0157 0.9794 1.3727 1.0061 1.132 1.1071 4.5888 2.6097 1.0461 0.9817 1.069 0.916 1.0241 0.5428 5-methylthioadenosine (MTA) 0.579 0.9994 0.6127 0.8882 0.8034 0.9197 1.0006 0.522 0.5672 0.7106 0.5755 0.8805 1.0626 0.6576 0.6654 1.5958 1.027 1.3228 1.0574 0.9561 1.5539 1.5771 1.3828 2.1474 1.2585 1.1188 1.5189 1.7392 0.8202 0.9677 1.216 5-oxoproline 0.5695 0.8188 0.7783 0.8255 0.7331 0.8645 1.0166 0.6073 0.3654 0.612 0.6864 0.4731 0.9834 0.4459 0.4037 1.4824 2.4099 1.9484 2.9949 1.3355 1.6537 2.3751 2.6594 1.2704 1.3723 1.2439 1.2549 1.4675 1.7683 2.1348 0.6923 alanine 0.529 0.8463 0.5011 0.5539 0.6505 0.8508 1.4047 0.4602 0.3468 0.2417 0.705 0.3537 1.1564 0.5736 0.2965 0.6958 1.0429 1.3399 1.3526 1.3805 1.2748 1.9825 1.0918 0.9571 1.7751 1.8871 1.987 1.8042 2.1293 1.0756 0.6099 alpha-hydroxyisocaproate 0.9247 1.097 0.8999 1.7292 1.6134 1.6358 2.5806 0.9895 1.1366 1.0105 0.9729 1.8044 0.137 1.6673 1.3906 0.5716 1.2865 1.8723 1.1612 0.9078 2.7737 2.1805 2.031 0.3505 0.8495 0.3891 0.5618 0.6781 0.2174 0.6181 0.0205 alpha-hydroxyisovalerate 0.6715 1.004 0.9039 1.2384 1.1237 1.1694 1.6098 0.876 1.1099 1.0516 0.6156 1.2628 0.5328 1.0221 1.1856 0.6322 1.2146 1.3683 1.5672 0.7925 2.9901 1.9876 2.2828 0.4702 0.6285 0.4951 0.4867 0.9132 0.3916 0.996 0.0732 arginine 0.9258 1.0482 0.851 0.8076 0.8279 1.0942 1.4315 0.8958 0.5814 0.6957 0.967 0.8687 0.029 0.7496 0.68 0.1833 1.033 1.1641 1.431 1.6967 1.0755 1.8614 1.0954 0.066 2.1152 2.3528 2.3391 2.1207 2.5563 1.5654 0.7602 argininosuccinate 1.0402 1.3045 1.033 1.1691 1.0817 1.0834 1.017 1.0159 0.8433 0.9841 0.976 1.1488 1.0493 0.9198 0.901 1.0671 1.0881 0.9294 1.1227 0.679 1.0253 1.1456 1.1283 0.3501 0.7027 0.6429 0.6397 0.6556 0.4924 0.9419 0.1119 asparagine 0.8347 1.3317 1.0743 0.9257 0.837 1.3515 2.0629 0.8716 0.4882 0.3859 1.3683 0.7343 0.4716 0.6252 0.4229 0.0934 0.8828 1.5895 1.915 1.6536 1.5306 2.1983 1.7316 0.0519 0.7075 1.6212 1.7398 1.6677 1.3865 1.3086 0.172 aspartate 0.7478 1.0726 1.0153 1.0103 0.8455 1.1182 1.4384 0.9277 0.8843 0.86 0.7903 0.4053 1.2516 0.5639 0.6982 0.2049 1.1535 1.283 1.433 1.0062 1.5019 1.6246 1.4735 0.9938 0.8079 0.9411 1.1373 1.2092 0.7543 0.9835 0.1669 beta-citrylglutamate 0.9021 1.164 1.3899 1.2205 1.1783 0.9295 1.2166 1.3151 0.9797 1.4497 1.3817 1.1598 0.8993 1.0096 1.2101 0.6672 1.4263 0.9993 1.5576 0.9037 0.9933 1.4925 1.2395 1.0007 0.8835 0.5953 0.6989 0.6998 0.1616 0.9596 0.1157 betaine 0.6278 0.8512 0.6813 0.9834 0.8534 0.8415 1.1933 0.6759 0.5387 0.8578 0.6216 1.0071 1.2972 0.9929 0.6647 1.6246 0.9793 0.8815 1.1916 1.5758 1.022 1.5188 0.9333 2.0528 1.8818 2.3993 2.1689 2.4479 3.5362 1.9623 3.019 carboxyethyl-GABA 0.9406 1.0855 1.0607 1.187 1.0028 1.0226 0.9862 1.0546 0.8572 0.9972 1.0253 1.0808 1.0708 0.9251 0.917 1.1521 1.0974 0.8919 1.1789 0.5446 1.0977 1.0956 1.0596 0.6308 0.4085 0.1849 0.3064 0.3702 0.0696 0.6772 0.0034 cis-urocanate 1.1243 1.0885 0.8957 1.396 1.0279 0.9879 1.0458 1.2483 0.9428 1.0121 1.2779 0.8908 0.2028 0.9328 0.8703 0.4256 1.0365 1.4338 1.0557 0.5545 1.2807 1.2842 1.7962 0.3811 0.6856 0.1084 0.3708 0.644 0.3825 0.4201 1.2614 citrulline 0.8946 0.6582 0.7991 0.5185 0.4548 0.9303 1.3174 0.9998 0.4672 0.7324 1.0494 1.1464 1.3136 0.6362 0.7117 4.0041 0.7373 1.0002 0.8691 1.251 0.809 0.7722 0.7417 5.3055 1.5534 2.7077 2.8549 2.1744 2.4568 1.1103 1.9373 creatine 1.0767 1.3162 0.8341 1.0773 0.9592 0.6737 1.3535 0.707 1.2577 0.769 1.0572 0.9916 0.5848 1.1125 0.4257 0.6861 1.0084 0.5491 0.7608 0.8459 1.1692 1.5842 0.6596 0.219 1.1712 1.5894 1.4008 1.3352 2.0189 0.6857 1.6881 creatinine 0.9536 0.8884 1.054 1.1728 0.9803 1.0706 1.0182 1.0416 0.9818 1.0976 1.0687 1.086 0.2037 1.027 1.0384 0.1511 1.0968 1.4134 1.2308 0.7409 1.2355 1.2864 1.2477 0.0274 0.5734 0.3226 0.4224 0.478 0.2078 0.7415 0.0425 cystathionine 1.2817 1.2601 1.1146 1.3245 1.1164 1.1247 1.3863 1.2246 0.9083 0.9028 1.2217 1.0024 0.7006 0.9475 0.9849 1 1.4837 1.1874 1.3941 0.7813 1.0661 0.9964 1.1557 0.365 0.8063 0.5731 0.5562 0.6637 0.2717 0.8485 0.2519 cysteine 1.2685 1.3837 1.198 1.6228 1.3088 1.4169 1.783 1.4365 1.1632 1.1802 1.0232 1.2566 1.4077 0.9534 1.1722 0.7249 0.9768 0.9695 0.7553 0.5407 1.0698 1.1402 0.9027 0.4451 0.4739 0.2654 0.314 0.4129 0.3088 0.4456 0.1106 cysteine s-sulfate 0.9928 1.4206 1.0072 1.839 1.7539 1.6538 2.518 1.3258 0.76 0.9444 2.3969 1.176 0.2298 1.0902 1.0548 0.0788 0.8191 1.3636 0.9212 1.2451 2.6359 2.3335 1.6074 0.0618 0.7789 0.3688 0.5166 0.6652 0.199 0.7283 0.0751 cysteine sulfinic acid 1.0248 0.9869 1.4728 0.9585 1.0131 1.2852 1.4989 1.9083 0.7954 1.5509 1.6404 2.0146 1.2793 0.833 1.2416 0.2169 1.4614 1.8435 2.2649 0.8222 1.1747 0.7925 1.4354 0.1086 0.4803 0.4357 0.4059 0.4972 0.2398 0.8636 0.1132 cysteinylglycine 1.0232 1.1717 0.9884 1.1745 1.0588 1.1516 1.2083 1.0116 1.042 1.1001 0.8722 0.9327 1.0312 0.8522 1.1053 1.7696 1.3674 1.3712 0.9766 0.6634 1.0763 1.2255 0.9784 0.7373 0.8149 0.8465 0.6384 0.7662 0.8003 0.7567 0.2402 cystine 1.0955 1.5332 1.013 0.4462 0.4521 0.987 1.5068 1.3808 0.5519 0.6456 1.8277 1.4359 0.5639 1.0778 0.5556 0.0518 0.3948 0.476 0.3879 2.491 0.7585 2.1469 0.3832 0.0518 3.8128 3.6099 5.1159 3.6496 3.0408 0.897 0.0909 dimethylarginine (SDMA + ADMA) 0.8834 0.9843 0.8395 0.9454 0.8776 1.1063 1.2338 0.8103 0.9576 0.8343 0.8026 0.7421 1.0405 0.7071 0.766 0.6208 1.115 1.0143 1.2267 0.9857 1.4066 1.6091 1.083 1.6708 1.133 0.9501 1.1595 1.2601 1.2358 1.4066 0.9802 dimethylglycine 1.1041 0.8214 0.918 0.5143 0.7411 0.8897 1.204 0.7959 0.738 1 0.7721 0.8119 1.1004 0.4938 0.8567 1.3022 0.9316 0.6814 1.4193 8.2527 0.4938 1.0993 0.8558 12.9744 11.4927 15.2305 17.5203 15.605 15.4391 10.6565 16.8249 ethylmalonate 0.438 0.5555 0.3832 0.7698 0.7826 0.7379 0.7649 0.6752 1.1353 0.7167 0.4812 0.8647 0.7917 0.7953 1.5262 0.6839 0.5795 1.7171 0.8536 1.8988 1.3611 1.5607 1.253 5.4011 2.9967 5.8852 5.8792 5.6087 5.392 3.2492 1.8967 formiminoglutamate 1.754 2.4332 0.6486 0.3798 1.0702 0.4485 1.9894 2.5509 0.4409 0.2563 0.6758 1.1404 3.478 0.5584 0.6426 5.1371 1.54 1.9451 2.78 0.4449 0.4475 0.7694 2.9713 3.8491 0.6525 0.445 0.2563 0.5005 0.2563 1 0.2563 gamma-aminobutyrate (GABA) 0.7661 0.8609 0.8441 0.9409 0.8807 1.0184 0.7777 0.9465 0.8759 1.0801 0.8311 0.9236 5.5662 0.9512 1.0161 1.6077 0.7719 1.0911 0.9169 0.9839 1.1149 1.2879 0.93 1.8076 1.1897 1.6366 1.4358 1.67 1.6687 1.1062 1.7526 gentisate 0.8654 0.2932 0.3959 0.4753 0.4627 1.6631 0.5064 1.5851 1.234 1.4823 0.2668 1.4168 1.1346 1.5113 1.1375 6.6651 0.4562 1.9702 2.3499 0.8403 2.4864 2.1128 0.3826 2.1477 0.2425 0.1206 0.4011 0.1206 0.139 0.1213 0.1206 glutamate 0.7985 1.0234 0.9585 0.8507 0.7577 0.9634 1.2263 0.9766 0.7143 0.8256 0.9218 0.7989 1.1489 0.4893 0.6927 0.3289 1.1382 1.3153 1.4509 1.074 1.11 1.4656 1.2487 0.3611 1.2798 1.0973 1.2384 1.2965 0.8781 1.2068 0.2858 glutamate, gamma-methyl ester 1.2094 1.4449 0.8375 1.2354 1.2073 1.8833 1.6739 0.9009 0.5944 0.8223 1 1.095 2.0189 1.1699 0.6701 0.2735 0.9655 1.0176 0.7262 0.7824 0.7376 1.463 0.984 7.3636 0.851 1.058 0.8285 0.8003 1.0151 0.9567 0.2735 glutamine 0.5916 1.0355 0.3892 0.5276 0.761 1.0819 2.2232 0.664 0.2971 0.4696 0.9232 0.9645 0.102 0.7985 0.5532 0.3875 0.9219 1.5802 1.7054 2.7842 1.0528 3.3383 1.401 0.233 3.8446 3.2749 3.7266 3.5692 2.564 2.2566 0.1528 glutarate (pentanedioate) 0.7778 0.5849 0.5614 0.5807 0.5 0.654 1.0212 0.7571 0.8202 0.7581 0.9788 0.7948 1.7045 0.4223 0.5517 1.8084 0.9535 1.0603 1.1287 1.207 0.6552 1.096 0.9717 4.2144 1.7073 2.7918 2.8666 1.9395 3.3492 1.134 4.903 glutarylcarnitine (C5) 1.1874 1.7116 1.0779 1 0.947 1.1296 1.1667 1.1836 0.9416 1.0645 1.1171 1.0537 0.424 0.8502 1.0186 0.5082 1.1235 1.2847 0.9337 0.3622 1.0647 0.9862 1.1765 0.2702 0.5 0.2456 0.2852 0.3403 0.13 0.6794 0.13 glycine 0.9697 1.2184 1.0977 1.2251 1.1286 1.5082 2.1488 1.0051 0.7233 0.5728 1.3993 0.7236 1.3729 0.7019 0.6256 0.2697 0.5167 0.9332 0.5398 1.0687 1.0901 1.5699 0.9517 0.521 1.1692 0.9552 1.1246 0.9949 1.1916 0.626 0.3056 guanidinoacetate 0.6884 0.6863 0.603 1.0254 1.1201 0.7118 0.9103 0.6582 0.5288 0.5903 0.5246 0.5881 2.0119 0.9746 0.5313 0.9098 0.644 1.0827 0.6286 1.052 1.2303 1.5239 0.5497 1.6603 1.4218 1.9924 2.1049 1.7872 3.8593 1.1759 2.7582 guanidinosuccinate 1.639 2.1149 0.7421 0.2396 0.4675 0.9208 1.1474 2.4363 1.5587 1.3224 1.7301 1.5134 1.8787 0.5448 1.3113 1.0792 1.2459 1.6813 1.1747 0.4944 0.5348 0.6173 1.5923 0.6698 0.5363 0.2949 0.5174 0.3238 0.2396 0.7416 0.2396 histamine 0.5342 0.4175 1.0573 0.9446 0.922 0.8378 1.1932 1.4439 0.9891 1.625 1.0109 1.5285 0.6188 1.2262 1.5088 0.9443 1.445 1.8168 2.0632 0.8821 1.6775 1.3298 1.3538 0.3559 0.6486 0.4535 0.4451 0.594 0.2424 1.0516 0.083 histidine 0.94 1.2056 1.0282 0.4349 0.9455 1.44 0.9718 0.9715 0.5739 0.6376 1.2057 0.835 0.9549 0.7681 0.654 0.488 0.9319 1.414 1.6239 2.1832 1.7323 2.3401 1.4326 0.2334 3.1525 3.3872 3.4697 3.32 3.2777 1.974 0.7404 homocitrulline 0.73 0.6953 0.8244 0.9171 0.7344 1.0523 1.1455 0.8667 0.4797 0.5445 0.9277 0.6702 0.9477 0.6011 0.5291 0.7703 0.8419 1.4703 1.4164 1.8601 1.3398 1.113 1.3519 1.3791 2.7167 3.1218 2.8148 3.4897 2.2738 1.7425 0.613 homocysteine 0.3193 0.3193 0.3193 0.3193 0.3193 0.3193 0.3193 0.3193 0.3193 0.3193 0.3193 0.3193 1.5001 0.3193 0.3193 8.8587 0.3193 0.3193 0.3193 0.3852 0.3193 1.1261 0.3193 1.5153 0.4426 0.8739 0.8032 0.7089 2.4965 0.3193 0.3193 homogentisate 0.575 0.575 0.575 0.575 0.575 0.575 0.575 0.575 0.575 0.575 0.575 0.575 0.575 0.575 0.575 0.575 0.575 0.575 0.575 0.6025 0.575 0.575 0.575 0.575 1.0034 2.232 1.0406 0.6952 0.9543 0.9966 2.5256 hypotaurine 0.8118 0.7806 0.6145 1.9308 2.2052 1.1986 2.1527 0.63 0.6171 0.7432 0.4992 0.4379 1.2597 2.1394 0.5393 0.8834 0.7239 0.8216 0.9532 0.8487 2.6931 8.2509 0.5784 1.2129 1.0468 1.5963 1.3111 1.5452 16.2663 1.2488 10.6675 imidazole lactate 0.341 0.4723 0.5626 0.61 0.546 0.6997 0.7081 0.484 1.1575 0.8682 0.3967 0.5951 3.8806 0.5347 0.658 4.5979 2.2034 2.1239 2.7925 1.4038 1.8591 2.2617 2.4419 12.9533 2.1251 1.1318 1.7004 2.2164 0.52 4.0651 0.1024 imidazole propionate 0.7986 0.7925 1.203 1.2236 0.7862 0.9804 0.9099 0.9393 1.0319 1.2552 0.9281 1.0196 92.8922 0.7688 0.819 152.4197 1.2242 1.7097 1.3997 0.842 1.3121 1.5919 1.31 68.691 0.7944 0.4183 0.6135 0.7051 0.2262 1.0922 0.1273 indoleacetate 0.2281 0.1855 0.2224 0.2612 0.2255 0.2612 0.2969 0.1447 0.1849 0.1849 0.2369 0.1507 0.1698 0.1908 0.1546 1.0405 1.4638 1.9212 5.3028 2.8833 2.0601 2.184 3.2649 9.5095 4.3267 5.7168 4.9605 5.7935 2.3458 8.0354 0.9595 indolelactate 0.5301 0.9224 0.9917 1.3306 0.9422 1.32 1.6453 0.7439 0.8611 0.6723 0.5767 1.4288 0.4521 1.0156 0.8983 1.5619 2.0156 2.4156 3.2781 1.2182 4.2596 2.5977 3.4528 0.8921 1.0083 0.5215 0.6378 1.2672 0.209 1.7144 0.0652 isobutyrylcarnitine 0.3089 0.3089 0.3089 0.3089 0.3089 0.3089 0.3089 0.3089 0.3089 0.3089 0.3089 0.3089 0.3089 0.3089 0.3089 0.3089 0.6146 0.4376 0.758 0.8124 0.3089 0.9929 0.5603 0.3089 1.5734 1.4564 1.7924 2.1287 1.8023 1.0071 1.4551 isobutyrylglycine 0.7739 0.9337 1.0853 1.6096 1.217 0.8184 1.568 1.2233 1.2405 1.5954 1 1.5165 0.7969 0.8259 1.4131 0.6275 0.5738 1.2646 1.0937 0.7158 1.6694 1.4945 1.5306 0.1859 0.0956 0.2274 0.1828 0.2078 0.0956 0.0956 0.0956 isoleucine 0.9736 1.468 1.0515 1.0247 1.1224 1.4913 2.1497 0.9684 0.6491 0.624 1.2505 0.7656 0.7107 0.7909 0.6374 0.2529 0.627 0.9753 0.5602 1.7049 0.886 2.3039 0.8936 0.2773 1.8019 1.9927 2.0792 1.8836 2.1726 1.2091 0.2228 isovalerate 0.0452 0.0452 0.0452 0.0452 0.0452 0.0452 0.0452 0.0452 0.0452 0.0452 0.0452 0.0452 0.0452 0.0452 0.0452 0.0452 0.0452 0.1559 0.2368 2.0164 0.3804 0.4157 0.8388 0.8852 3.4362 3.8647 3.5787 3.8681 2.9876 2.7892 0.3093 isovalerylcarnitine 0.6765 0.6122 0.8083 0.8397 0.587 1.0615 0.8476 1.1473 0.6139 0.7441 0.8907 0.8738 0.4823 0.8297 0.9669 0.6338 1.5759 1.0331 1.6961 2.2779 0.9344 1.6984 1.4591 0.8924 5.4997 4.713 6.5835 6.5375 5.1701 3.0459 2.9025 isovalerylglycine 1.0342 1.0419 1.3837 1.9101 1.0856 1.1331 1.3099 1.061 1.2326 1.6454 1.3561 1.3896 0.915 0.8285 1.9025 0.5155 0.5623 1.4422 0.6933 0.5865 1.4181 1.1489 0.9658 0.6583 0.3774 0.5636 0.5098 0.7803 0.4736 0.428 0.2586 kynurenate 0.7102 1.0228 0.8055 1.1837 1.0328 0.9814 1.4562 0.9667 1.4346 0.8795 0.3736 0.6908 1.1774 0.6616 0.9794 0.7264 1.1321 2.4272 1.2566 0.8276 1.0738 1.5793 1.7619 1.7534 0.8617 0.8469 0.9807 1.0186 0.5296 1.7642 0.3573 kynurenine 0.5619 0.7003 0.5619 0.6871 0.8604 0.6873 1.2222 1.225 0.5619 0.5619 1.1829 1.0005 0.5619 0.5683 0.7608 0.6289 0.5619 1.2579 0.9995 1.1401 0.5619 0.9061 1.4912 1.7407 1.0344 1.7048 1.7452 1.6259 3.5265 0.6497 0.9315 leucine 1.0067 1.5457 0.9566 0.9933 1.1767 1.5388 2.3048 0.9753 0.5546 0.6279 1.2144 0.8567 0.3829 1.0473 0.6747 0.3197 0.7334 0.9615 0.5477 1.9624 0.9489 2.8633 0.8089 0.2742 2.2949 2.4482 2.5479 2.542 2.5589 1.66 0.2483 lysine 0.773 1.0611 0.6854 0.6515 0.6808 0.999 1.532 0.6383 0.4362 0.4168 0.8031 0.4372 0.9511 0.5769 0.3842 0.4477 0.8403 1.001 1.2169 1.8637 1.1155 2.1995 1.0573 1.008 2.7539 2.9391 3.1951 2.7355 3.2296 1.8273 0.7651 methionine 0.8662 1.5406 0.8077 0.8624 0.9938 1.4493 2.5242 0.7625 0.5279 0.5067 0.976 0.6886 0.3354 0.9374 0.59 0.7604 1.0062 1.2802 0.8198 2.9905 1.2712 4.5086 1.1647 0.5412 3.893 4.3312 4.7049 3.9993 4.717 2.2361 0.4434 methionine sulfoxide 0.8123 1.1386 0.9215 1.0061 0.8592 1.2246 1.6665 0.8921 0.6146 0.652 1.1138 0.6542 0.1734 0.6 0.6245 0.4271 0.8285 1.3119 0.9939 1.338 1.0975 1.9973 0.9793 0.2841 1.356 1.7292 1.4836 1.4574 1.5671 1.1943 0.2376 methylsuccinate 0.4049 0.7573 0.3057 0.3057 0.3057 0.3057 0.3057 0.3057 0.51 0.3057 0.6696 0.3057 0.3057 0.3057 0.3057 1.802 0.3057 0.8991 0.7865 0.9518 0.3057 0.3057 1.1486 2.0274 1 1.4866 2.0449 1.5798 1.8205 1.2326 0.7572 N(1)-acetylspermine 0.2196 0.4866 0.3861 0.5022 0.4715 0.4554 0.6152 0.264 0.2333 0.3074 0.1865 0.4578 2.6031 0.2942 0.2735 1.3423 0.9086 0.8854 1.3514 2.0889 2.2346 1.0914 1.2741 4.8549 1.759 2.1591 3.5272 4.1994 2.2184 2.8152 1.4519 N1,N12-diacetylspermine 0.4126 0.6381 0.483 0.9281 0.8862 0.8576 1.1296 0.6282 0.4999 0.57 0.3592 1.1115 2.4753 0.7057 0.6392 1.4583 2.2832 1.8967 2.0363 1.0719 2.2865 1.834 2.0043 3.4771 1.1375 0.6915 1.1636 1.5634 0.3684 1.2612 0.1931 N2,N6-diacetyllysine 0.7303 1.1633 0.9389 0.9704 1.4107 1.3964 1.4149 1 1.2337 0.8774 0.7087 0.6664 0.8961 0.7102 1.2385 0.8927 0.7865 2.4944 0.7694 1.0053 1.1239 1.2767 1.5341 1.0608 1.0371 0.7121 0.8915 1.0382 0.4088 1.8195 0.3596 N2-acetyllysine 0.7455 1.3199 1.0631 1.1847 0.8208 1.0998 1.0312 0.9992 1.0322 1.1397 0.7806 0.8784 1.2873 0.6924 0.909 1.1672 0.975 1.2233 1.435 0.7568 1.1442 1.2665 1.2785 0.9012 0.827 0.604 0.8109 0.7961 0.321 1.0008 0.0459 N6,N6,N6-trimethyllysine 0.7313 0.8702 0.7416 0.8265 0.7965 0.9559 1.2453 0.7911 0.6363 0.7312 0.7466 0.7282 1.6206 0.5908 0.6575 0.8712 1.0441 1.2572 1.2799 1.0607 1.3307 1.7137 1.0907 1.1149 1.0954 1.0646 1.2417 1.2121 1.2462 1.1944 0.3279 N6-acetyllysine 0.6356 1.0104 0.7395 0.7395 0.6514 1.095 1.6134 0.6212 0.5898 0.5536 0.6182 0.484 1.2826 0.4936 0.5168 0.5134 0.9896 0.8837 1.2566 1.3442 0.8064 2.5974 0.9254 1.6506 1.704 2.3765 2.3183 2.032 4.1118 1.5532 1.8102 N6-carboxyethyllysine 0.9117 0.8477 0.9851 0.2983 1.2471 1.8499 0.2983 1.3082 1.0219 1.0592 0.9094 0.9199 1.6832 0.9108 1.0149 0.2983 0.9228 2.4458 1.9552 0.8748 2.4927 3.2846 2.4901 1.4436 0.981 0.2983 0.6414 0.5631 0.2983 0.7362 0.2983 N6-formyllysine 0.8093 0.7992 0.7975 1.0822 0.8204 1.0213 1.5851 0.7436 0.6588 0.5137 1.3341 0.8559 0.9787 0.7315 0.4677 0.9659 0.933 0.9567 1.0665 1.4848 1.4124 0.9678 1.4041 1.5201 1.7914 2.4982 2.1289 2.1978 1.1948 1.5126 0.4207 N-acetyl-1-methylhistidine 1.0133 1.5554 0.8507 1.1326 1.033 1.0151 1.2337 1.2904 1.0755 0.802 0.9401 0.9269 1.2472 0.8104 0.7912 1.0503 1.1465 1.4722 1.0977 0.4451 1.0136 0.9867 1.1228 0.679 0.4458 0.1703 0.318 0.3382 0.0769 0.76 0.0294 N-acetyl-3-methylhistidine 0.9102 0.7618 1.3522 1.2756 0.8538 0.9509 1.0219 1.3019 1.0454 1.3079 1.0491 1.2093 0.9162 0.9311 1.0649 1.2323 1.1699 1.0735 1.0153 0.3332 0.8774 0.9874 1.0126 0.55 0.5142 0.0994 0.2791 0.1874 0.0994 0.5927 0.0994 N-acetylalanine 1.0689 1.1611 1.239 1.6967 1.2588 1.4506 1.6816 1.191 0.9796 1.3534 1.1506 1.318 1.0825 1.0204 1.1626 0.4286 0.473 1.1175 0.4461 0.2673 1.2202 0.8545 0.8858 0.0506 0.1268 0.2304 0.1806 0.1583 0.2985 0.0816 0.0701 N-acetylarginine 1.1133 1.2889 1.3493 1.45 1.251 1.4895 1.417 1.2216 0.9938 1.3256 1.1874 1.1467 1.6192 1.0062 1.0746 0.0756 0.8841 1.0768 1.021 0.5245 0.9717 0.9392 0.9438 0.0864 0.5332 0.3464 0.3993 0.4979 0.1732 0.6463 0.0491 N-acetylasparagine 0.8124 0.9679 1.127 1.0259 1.0833 1.0727 1.0295 1.1435 1.0734 1.0221 0.9779 0.9281 1.4863 0.806 1.1758 0.8877 1.2313 1.8474 1.6273 0.7657 1.4714 1.7498 1.8847 0.6776 0.6099 0.2941 0.4379 0.5475 0.1569 0.8504 0.0915 N-acetylaspartate (NAA) 0.2058 0.2616 0.315 0.291 0.3064 0.3743 0.6385 0.2623 0.2708 0.2658 0.2332 0.2779 2.0975 0.218 0.2305 1.305 1.8248 1.5769 1.8611 0.966 1.2948 1.7173 2.3879 3.9163 1.2413 1.0621 1.6308 2.0185 1.034 1.2652 0.1092 N-acetyl-aspartyl-glutamate (NAAG) 1.0814 1.0915 1.2043 1.3424 0.9452 1.0313 1.0129 1.0264 0.9935 1.1282 0.9702 1.2089 0.907 0.8672 1 1.0685 1.1103 1.1745 1.0773 0.614 0.9559 1.1349 1.0549 0.5451 0.5093 0.2686 0.392 0.4344 0.1688 0.6458 0.0312 N-acetyl-cadaverine 0.5632 0.6591 0.9953 1 0.8627 1.0088 1.3433 1.1544 0.9748 0.9156 0.7905 1.0593 1.2413 0.7377 1.1461 1.324 1.3674 1.4025 1.8013 0.8891 1.6339 1.4189 1.1955 2.9819 0.6578 0.4824 0.4871 0.8985 0.0661 1.2114 0.0661 N-acetylcitrulline 0.6476 0.9693 0.9853 1.0408 0.863 1.0171 1.518 0.9345 0.8836 0.9972 0.5213 0.8208 1.1326 0.6524 1.1385 0.4207 1.0653 2.383 1.3356 1.0244 1 1.5384 2.0365 0.4956 0.6932 1.039 1.1337 0.7623 0.7721 1.2667 0.4207 N-acetylcysteine 1.1839 1.0607 0.9803 0.9909 0.9427 1.3234 1.2108 1.2876 1.1459 1.4776 0.7222 1.2879 1.3248 1 1.305 1.9691 0.74 1.1879 0.7595 0.5621 1.0988 1.0528 0.898 0.5514 0.2206 0.2206 0.2298 0.2206 0.2206 0.3106 0.4815 N-acetylglutamate 0.4375 0.4856 0.554 0.7911 0.5229 0.9885 0.7294 0.4298 0.5859 0.6425 0.4168 0.5344 4.9161 0.7563 0.6892 4.5861 1.1113 2.4313 1.1071 1.0106 1.4944 1.6712 1.2745 5.747 1.1326 1.3935 1.0303 1.3748 0.9894 1.1709 0.6549 N-acetylglutamine 0.9144 0.9879 1.1483 1.3645 1.0526 1.1792 1.4031 0.9875 0.9203 1.0355 1.1913 1.1081 1.078 1.0089 1.0042 1.1196 1.0701 1.2821 0.9958 0.6131 1.1058 0.9009 1.135 0.7557 0.4303 0.2716 0.2613 0.4449 0.1354 0.6476 0.1072 N-acetylglycine 0.7629 0.7687 0.7966 1.1023 0.9835 1.1167 1.0165 0.889 0.847 0.9151 0.7676 0.8668 0.9545 0.9754 0.9072 1.0606 1.0359 1.2588 1.299 0.9507 1.629 1.4613 1.3816 1.2908 0.7869 1.087 0.8503 1.2122 2.1044 0.9689 1.4379 N-acetylhistamine 0.4927 0.6179 1.0924 0.9798 0.9391 1.1576 1.5231 0.9923 0.9403 1.0792 0.7224 1.0053 2.102 0.9436 0.9947 1.1378 1.8739 2.3296 3.3281 0.8812 2.8251 2.3865 2.041 1.0086 0.7402 0.4997 0.5131 0.75 0.0928 1.7875 0.0223 N-acetylhistidine 0.8514 1.1271 1.0732 1.032 0.9771 1.1943 1.1323 1.0125 1.1348 0.9875 0.8355 0.7222 2.5468 0.788 0.8804 1.4219 1.1634 1.4408 1.4128 0.7744 1.1919 1.1923 1.2986 1.5178 0.781 0.4604 0.5621 0.7625 0.276 0.9796 0.0511 N-acetylisoleucine 1.5077 1.5662 1.9754 2.2222 1.9103 2.0964 1.7212 1.8384 2.1098 1.9512 1.8328 1.6652 2.4628 1.8463 2.1947 0.4537 0.192 0.9638 0.2686 0.3066 1.0362 0.6193 0.4521 0.1809 0.2887 0.2536 0.2899 0.3907 0.2208 0.1822 0.1015 N-acetylleucine 1.6044 1.7499 1.9186 2.5735 1.8998 1.9737 2.7306 2.2816 1.7895 2.1457 1.7918 1.9482 4.0211 1.4386 2.0998 0.4111 0.2806 0.7555 0.1838 0.4085 0.607 0.4089 0.588 0.2931 0.5343 0.6563 0.5616 0.4619 0.6536 0.343 0.2153 N-acetylmethionine 1.0913 1.2034 1.2243 1.7498 1.5732 1.4682 2.0665 1.3305 1.1293 1.593 1.1086 1.7041 1.3407 1.1771 1.495 0.2031 0.2934 1.0363 0.1433 0.1641 0.9637 0.5224 0.6078 0.0784 0.167 0.3592 0.2436 0.1544 0.453 0.0872 0.0879 N-acetylmethionine sulfoxide 1.1224 1.004 1.3994 1.4757 0.996 1.4616 1.5213 1.3975 1.1611 1.3891 1.3457 1.312 0.4413 1.1945 1.2134 0.0554 1.096 1.2408 0.934 0.4968 1.1265 0.9856 0.9829 0.0223 0.2169 0.3009 0.3313 0.287 0.1596 0.7229 0.0219 N-acetylphenylalanine 0.8606 0.9045 1.0317 1.3133 1.0724 1.076 1.3781 1.3629 1.2077 1.3594 0.8819 1.1886 1.2666 0.8867 1.4322 0.9298 0.9596 1.5814 1.4249 0.8292 1.2677 1.3669 1.5975 0.2935 0.751 0.8653 0.9136 0.8117 0.9683 0.5414 0.526 N-acetylproline 0.7785 0.5654 0.8567 1.0263 0.8454 1.1702 0.8223 0.974 1.3252 1.2324 0.9511 1.2357 1.0155 1.1843 1.3116 1.5301 1.1587 2.0291 1.2617 0.7407 1.3594 1.4307 1.2146 0.6812 0.4337 0.2615 0.3154 0.4859 0.0969 1 0.0969 N-acetylputrescine 0.8628 0.9206 0.9945 1.1805 1.064 1.1577 1.2256 1.045 0.9776 0.9888 1.0578 0.9356 2.0319 0.882 1.0055 6.9653 1.1231 1.3623 1.6274 0.4871 1.5798 1.2616 1.2352 15.4674 0.5634 0.1356 0.185 0.3482 0.0302 0.7454 0.0103 N-acetylserine 4.8898 6.5541 5.7415 6.9842 5.0551 6.6582 6.2491 5.0447 4.904 5.0787 5.4759 3.449 7.2421 3.6552 4.2343 0.7908 0.6036 0.6581 0.4672 0.4331 0.611 0.9674 0.5717 0.6176 0.4425 0.6091 0.5984 0.5354 1.0326 0.3781 0.5288 N-acetyltaurine 0.9813 1.4669 1.0085 1.1247 1.0213 1.1412 1.0136 1.009 0.9105 0.9468 1.04 0.789 1.4123 0.8558 0.8124 1.2312 0.9915 1.1786 1.1517 0.4492 1.1218 1.1514 1.105 0.7696 0.3931 0.2754 0.3525 0.3424 0.2897 0.5786 0.1475 N-acetylthreonine 5.7742 8.1741 7.9982 8.1232 5.9721 7.4434 8.5069 7.2116 5.6575 8.0871 5.4559 5.7098 11.5465 6.0919 6.5091 0.6764 0.7652 0.9927 0.6137 0.3967 0.9658 0.8685 1.0073 0.6571 0.4014 0.4124 0.4005 0.5205 0.4798 0.2753 0.103 N-acetyltryptophan 0.6768 1.125 1.0723 1.1292 0.859 1.0958 1.1396 1.1158 1.1782 1.0761 0.6876 0.6428 1.6452 0.647 1.0256 1.0999 0.8241 1.1705 1.0175 0.8318 0.9825 1.2425 1.0413 1.8299 0.749 0.5221 0.5679 0.7544 0.5061 0.8153 0.2475 N-acetyltyrosine 0.7699 0.7214 0.8491 1.031 0.7545 0.8493 1.2666 1.0833 1.0057 1.1626 0.8426 1.103 1.1148 0.7687 1.16 1.1644 1.0976 1.2422 1.2118 0.6508 0.9943 1.1587 1.3441 1.6255 0.6051 0.7008 0.6292 0.7038 0.6818 0.7184 0.3755 N-acetylvaline 1.0521 1.1953 1.2682 1.5449 1.3285 1.3969 1.5695 1.3115 1.3972 1.4316 1.0756 1.1896 1.6165 1.1733 1.4237 0.2525 0.2617 0.8149 0.2044 0.1716 1 0.5263 0.6688 0.0493 0.1769 0.1601 0.132 0.1181 0.1147 0.0861 0.0493 N-alpha-acetylornithine 0.5551 1.0296 0.6084 0.9659 0.5722 0.7782 0.5953 1.0246 0.8048 1.0439 0.1783 0.6537 3.6763 1.0634 0.7362 2.367 0.8535 1.5647 1.0342 1.1314 1.5053 1.4201 0.791 4.1969 0.9926 0.7469 1.0074 1.14 0.5024 1.2612 0.1341 N-delta-acetylornithine 0.5543 0.5093 0.653 0.6729 0.513 0.9436 1.2941 0.7339 0.5913 0.5942 0.8905 0.8314 1.8612 0.6304 0.5821 0.8713 0.7372 1.2643 1.1411 1.8987 1.0564 0.9404 1.1977 3.6555 2.9193 3.9003 3.8731 3.9245 3.059 1.9299 1.8675 N-formylmethionine 0.7462 1.0918 1.152 1.3108 1.1509 1.2843 1.5782 0.9623 1.2151 1.2286 0.721 1.2065 2.8433 0.8878 1.0377 0.3465 0.9506 1.3883 1.2121 0.7168 1.9293 1.4264 1.6682 0.3543 0.5029 0.393 0.3955 0.5189 0.2421 0.3173 0.0781 N-formylphenylalanine 0.8152 0.8005 0.903 1.1324 0.8577 0.9809 1.5918 1.0272 0.5536 1.0549 0.871 1.2686 1.0991 0.8825 1.0696 0.9649 0.8902 1.5381 1.0191 1.1469 1.4192 1.2531 1.5615 0.2687 0.6834 1.1241 0.9138 1.0298 0.8773 0.3525 0.2607 N-methyl-GABA 0.7587 0.5576 1.0063 1.1255 0.8396 1.4422 0.9937 1.0748 1.1017 1.6941 0.9017 1.2198 0.9197 1.2577 1.7084 0.653 1.0503 2.1611 1.4721 0.8476 1.6429 1.6919 1.7283 0.4824 0.4922 0.2475 0.3767 0.6114 0.1984 0.8991 0.1157 N-methylglutamate 0.8766 0.6397 0.7576 0.9334 0.9321 1.1434 1.0633 1.1126 0.7612 1.4986 0.7736 1.5073 1.2645 1.2534 1.4185 1.2168 1.3707 1.9539 1.5697 0.4195 1.5256 1.8061 1 0.1742 0.2279 0.2554 0.1742 0.3293 0.1742 0.6388 0.1742 N-methylproline 0.4788 1.0137 1.1943 1.4338 0.5002 1.0903 1.2252 0.2177 0.2177 0.2177 1.3549 0.2177 0.4895 0.2177 0.2177 0.2177 0.9656 0.3685 0.2177 0.8947 0.2177 1.1837 0.2177 0.4268 0.6218 0.8804 1.4871 1.161 1.6711 1 0.414 N-monomethylarginine 0.8046 1.1392 0.6907 0.9375 1.0281 1.0701 1.6527 0.6887 0.529 0.5505 0.739 0.5769 0.7886 0.6925 0.3886 0.1178 1.0026 0.9492 1.0862 1.3538 1.1957 2.0285 0.9974 0.4001 1.5215 1.706 2.0103 1.5927 2.5344 1.2264 1.2407 O-methyltyrosine 1.0559 1.0767 0.8631 1.1991 1.0654 1.0844 1.036 1.0234 0.7879 0.7966 0.7976 1.0405 1.3075 1.147 0.9669 0.9766 0.9534 1.0307 1.2537 0.7763 1.2791 1.1487 1.0799 0.5612 0.6134 0.2548 0.478 0.6642 0.2548 0.8388 0.2548 ornithine 0.7441 0.6573 0.5962 0.6119 0.9462 0.8098 0.986 0.576 0.5013 0.5753 0.6632 0.5504 69.4591 0.7086 0.5115 4.3878 0.848 1.014 1.4511 3.6685 1.299 1.9777 0.8601 17.2262 4.6616 20.1888 13.6954 10.1234 23.9969 5.0314 21.2799 p-cresol sulfate 0.0157 0.0157 0.0157 0.0157 0.0157 0.0157 0.0157 0.0157 0.0157 0.0157 0.0157 0.0157 0.0157 0.0157 0.0157 0.0157 0.0292 0.0294 0.1393 0.9907 0.0361 0.0754 0.0964 1.0093 2.2445 4.2118 3.8335 4.567 2.801 2.4272 3.5228 p-cresol-glucuronide 0.6741 0.8182 0.767 1 0.7446 0.9102 0.6655 0.5999 0.7497 0.7112 0.6251 0.6092 0.9545 0.4512 0.6863 1.0376 1.5694 1.5896 4.0406 6.445 0.8982 1.3355 2.3341 6.3834 19.3287 28.3139 30.7645 33.3236 15.6785 31.2238 18.4232 phenylacetate 0.1092 0.1092 0.1092 0.1092 0.1092 0.1092 0.1092 0.1092 0.1092 0.1092 0.1092 0.1092 0.1092 0.1092 0.1092 0.1092 0.332 0.5455 1.5479 1.0546 0.5087 0.4692 1 0.7667 1.7328 2.9955 2.2295 2.9624 1.9296 3.0046 0.4178 phenylalanine 0.8975 1.2603 0.7965 0.768 0.9531 1.2823 1.9869 0.9576 0.5004 0.6305 1.1255 0.9144 0.2423 0.9603 0.6794 0.4776 0.7919 1.1439 0.7709 2.4776 1.1373 2.531 1.0397 0.3349 3.2263 3.3576 3.6159 3.2135 3.2053 1.7663 0.7046 phenyllactate (PLA) 0.7905 0.8982 1.04 1.3757 1.1384 1.2173 1.6387 0.6918 0.9808 0.8157 0.5852 1.4921 0.1523 1.0311 0.9595 0.594 1.6096 2.3973 1.8416 1.4376 3.6881 2.5245 2.9684 0.2654 1.0192 0.7288 0.7592 1.2401 0.4281 0.9108 0.1243 phenylpyruvate 0.1585 0.3785 0.3547 0.2234 0.2568 0.1776 0.3577 0.4082 0.3637 0.5722 0.206 0.2631 0.1775 0.1766 0.3318 0.7201 1.9525 1.5143 3.8712 3.4579 1.2799 5.3522 1.6462 2.6271 5.1445 8.775 4.7108 4.8924 3.5461 3.532 3.6828 picolinate 0.8223 0.8376 0.6656 1.018 1.0247 0.9161 1.2471 1.1827 0.8579 0.982 1.2696 1.5559 4.7262 0.9484 0.9787 1.5959 1.3759 1.5344 1.2784 0.8278 1.7471 1.1727 1.8286 1.3753 0.6288 0.8421 0.7864 0.8475 0.6812 0.8208 0.3158 pipecolate 0.4355 0.5701 0.7711 0.6754 0.5625 0.7926 0.7903 0.6383 0.6721 0.8088 0.4788 0.9719 2.34 0.583 0.6679 2.2604 1.5638 1.6916 2.1181 1.1659 1.1588 1.4653 1.57 1.7176 1.2922 1.0281 1.3495 1.4712 0.62 1.6014 0.3686 pro-hydroxy-pro 4.375 3.7375 5.2813 5.8426 5.3382 5.637 3.4816 4.484 2.5537 5.0026 4.6017 4.4015 7.3461 4.3248 3.9693 0.0785 0.1193 0.7548 0.1929 0.5257 1 0.5959 0.864 0.351 0.4439 0.147 0.1495 0.229 0.0305 0.3164 0.0085 proline 1.8826 2.0519 2.2197 1.9617 1.5938 2.4396 2.6285 1.7741 0.8266 1.8663 1.8447 1.3765 3.2934 1.1344 1.018 0.3658 0.5027 0.7296 0.4627 0.7794 0.5975 1.2536 0.5799 0.5841 0.8487 0.8114 0.8756 0.7173 0.982 0.5261 0.2925 putrescine 0.314 0.4886 0.4372 0.6006 0.5087 0.4559 0.7967 0.7509 0.3699 0.8144 0.6607 1 1.0525 0.5884 0.7838 21.9398 1.1584 1.2453 1.1209 1.3215 1.1084 0.884 0.9614 25.9444 1.8433 1.4294 1.0828 1.6537 1.2355 1.1566 1.1694 pyroglutamine 0.8932 0.9184 0.8467 0.7425 0.7053 0.6582 1.2979 0.8435 0.7471 0.8942 1.0061 1.0099 1.1732 0.8877 0.4574 1.3254 1.091 0.7761 1.3592 1.8633 0.9939 0.9914 1.1035 2.5599 2.1624 2.5165 3.2745 2.5967 1.5913 1.66 0.9511 S-1-pyrroline-5-carboxylate 1.2825 0.6012 0.765 1.3272 0.8859 1.0629 1.1878 1 0.6836 1.0508 0.8743 1.0939 0.8856 0.7215 1.2378 0.4559 0.1248 0.9984 0.1248 0.5418 0.9836 1.7632 1.503 0.8601 0.6422 1.3395 1.0804 1.0365 4.6992 0.8311 6.9405 saccharopine 0.9178 0.934 1.027 1.0907 0.9416 1.0885 0.9804 1.0209 0.8023 1.0347 1.0475 1.1853 1.3649 0.9182 0.9514 1.3117 1.1398 1.0499 1.1556 0.4798 1.1255 1.0663 1.0196 1.1158 0.3831 0.1865 0.314 0.3653 0.0778 0.6283 0.0032 sarcosine 0.0961 0.0961 0.0961 0.0961 0.0961 0.0961 0.0961 0.0961 0.0961 0.0961 0.0961 0.0961 4.2478 0.0961 0.0961 1.807 0.0961 0.0961 0.0961 0.0961 0.0961 0.0961 0.0961 0.193 0.0961 0.0961 0.0961 0.0961 0.0961 0.0961 0.0961 serine 1.0067 1.4796 0.9536 0.9793 1.0061 1.4068 2.3568 0.8398 0.479 0.5183 1.4436 0.7998 0.1682 0.8804 0.576 0.3994 0.7742 1.1018 0.6909 1.606 0.9939 2.8049 0.9426 0.509 1.8348 1.6261 1.8492 1.6061 1.7376 1.0367 0.242 serotonin 1.1657 0.8678 0.9603 1.1611 0.764 0.7537 0.6719 1.0397 1.1696 0.7235 0.6799 0.6136 0.8889 0.6359 1.1354 1.5877 1.4536 1.3602 1.4031 0.5135 1.6449 2.2071 1.6481 0.5135 0.5135 0.5135 0.5135 0.5135 0.5135 0.5135 0.5135 spermidine 0.6746 0.8732 0.8538 1.0351 0.9682 1.1591 0.4681 0.7785 0.7428 0.6115 0.8899 0.8253 4.7571 0.9405 0.7048 2.5179 0.8142 0.9212 0.9141 2.5359 1.4272 1.0318 0.4701 19.8584 1.9887 2.4151 2.3842 2.7427 3.565 2.5775 4.2871 spermine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 taurine 0.7033 1.1784 0.518 0.5085 0.6938 0.98 1.4682 0.6876 0.5839 0.6229 0.5499 0.5722 1.8684 0.7603 0.4984 3.7085 0.9963 0.6729 0.9677 1.2829 0.915 2.2334 1.0037 3.2949 2.0937 2.6434 2.3687 2.3076 5.6099 1.3268 4.3313 thioproline 0.8335 1.1351 1.3743 1.5144 1.3368 1.3426 1.7718 1.4897 1.0277 1.4292 0.9723 1.3459 3.5245 1.1645 1.4088 0.4123 0.2904 0.3272 0.3071 0.5485 0.3099 0.3338 0.2738 1.175 0.4825 0.603 0.4963 0.5311 1.0821 0.3925 1.0296 threonine 1.9529 2.4934 2.3374 1.9472 1.6417 2.6887 3.447 1.7196 1.2586 1.1856 2.1002 1.0494 0.9462 0.7633 0.9037 0.3642 0.6058 0.9154 0.498 1.0464 0.8818 2.3734 0.8211 0.3462 1.2813 0.8228 0.933 0.8012 0.9536 0.6115 0.1099 trans-4-hydroxyproline 1.5112 1.3307 1.7548 1.6684 1.2327 1.8479 1.7423 1.4176 2.238 1.7608 1.4862 1.3932 3.5125 1.3839 1.5664 0.7626 0.5618 0.7253 0.3428 0.2801 0.6966 0.6078 0.6365 0.8395 0.231 0.1274 0.1249 0.164 0.0992 0.1769 0.076 trans-urocanate 1.2296 1.23 0.8635 1.4722 1.2704 1.1094 0.9635 1.0536 0.9396 1.0485 1.4738 0.8495 0.0758 1.0365 0.6252 0.3069 1.1564 1.5301 1.1397 0.6571 1.1833 1.6545 1.6974 0.2873 0.4315 0.1432 0.2186 0.3162 0.1721 0.5085 0.0408 tryptamine 0.5761 0.5761 1.0933 0.8414 0.5761 0.5761 0.7658 1.2304 0.9761 1.2555 0.5761 1.2981 18.86 0.5761 1.1684 16.1398 1.1049 0.9824 1.4717 0.5761 1.0176 0.5761 0.9037 0.5761 0.5761 0.8139 0.5786 0.5794 0.5761 0.5761 0.5761 tryptophan 0.7569 1.0242 0.7718 0.8014 0.821 1.1137 1.8228 0.9048 0.5299 0.589 1.0748 0.8443 0.2827 0.731 0.6492 0.3859 0.6352 0.9758 0.8995 2.1039 1.1409 1.9285 1.0903 0.369 2.5778 2.5532 2.6626 2.5426 2.7601 1.4787 1.0339 tyramine 1.0081 0.4864 1.0066 0.8907 0.7745 0.5321 0.7445 1.2252 1.1731 1.1376 0.8577 1.7459 6.356 0.7614 1.4396 1.6683 1.2806 1.2962 1.1645 0.786 1.1512 0.7037 1.3388 1.0291 0.7846 0.8531 0.6471 0.9934 0.4018 0.7445 0.1111 tyrosine 0.8593 1.2089 0.8671 0.7747 0.8683 1.2734 1.931 0.896 0.4903 0.5859 1.0835 0.7881 0.451 0.77 0.5867 0.5247 0.744 1.0639 0.8329 2.6761 1.0384 2.5675 1.039 0.3846 3.8202 3.8456 4.163 3.6823 3.8485 1.9294 0.9616 urea 0.5792 0.3826 0.1368 0.0295 0.1402 0.5709 0.0295 1.5727 1.4208 1.7905 0.4312 0.3171 0.0295 0.3442 1.9544 0.0295 0.42 0.2315 0.0295 2.3214 0.0295 0.0295 0.0743 0.0295 2.7563 5.0145 5.7764 4.6624 4.3967 2.0273 3.3288 valine 0.8751 1.3784 0.9667 1.0167 1.0389 1.5601 2.5173 0.9002 0.4616 0.4747 1.2878 0.6132 0.6215 0.8392 0.486 0.1979 0.626 0.9833 0.5299 1.8784 1.0654 2.7359 0.8914 0.3127 2.1537 2.2379 2.4777 2.2639 2.4447 1.344 0.1695 xanthurenate 0.44 1.1383 1 0.739 0.9873 1.2709 1.1618 0.6208 0.2984 0.6097 0.2984 0.2984 3.5696 0.2984 0.342 2.5202 0.2984 0.2984 0.2984 0.2984 0.2984 0.2984 0.2984 1.2836 0.2984 0.2984 0.2984 0.2984 0.2984 0.2984 0.2984 1,5-anhydroglucitol (1,5-AG) 0.5833 0.7899 0.4904 0.5556 0.4997 0.7397 0.662 0.7548 0.7611 0.882 0.4495 0.783 1.2742 0.3652 0.5227 1.2881 1.1101 0.9004 1.291 2.5662 0.9741 1.0259 1.1254 3.1258 4.4444 6.6133 7.1669 6.8532 3.1695 2.001 1.6063 2-ketogulonate 0.8701 1.0163 1.2001 1.2312 0.8178 0.8261 1.5825 0.9837 0.7365 1.2613 0.0757 1.2229 1.4684 0.8203 0.0757 1.4598 1.4632 1.7261 0.8474 0.7425 1.0471 1.6183 1.596 0.2637 0.759 0.2404 0.278 0.3823 0.0757 1.591 0.0757 3-phosphoglycerate 1.6322 1.3284 1.292 1.4275 0.9988 1.0282 1.1947 0.6467 1.6162 2.0921 1.0012 0.3271 0.3271 0.9329 1.3372 0.75 0.3564 0.3271 0.3271 0.3271 0.611 0.7907 0.4347 1.7683 0.3271 0.3271 0.3271 0.3271 0.3454 0.3271 0.3271 3-sialyllactose 0.9799 1.0557 1.0282 1.1662 1.0119 1.0741 1.0295 1.038 0.8826 1.0538 0.9487 1.1839 0.1387 0.864 0.972 0.1387 1.1181 1.0694 1.0873 0.6336 1.062 0.9881 1.0432 0.1387 0.6273 0.2881 0.4299 0.5489 0.1554 0.6848 0.1387 arabinose 1.6123 0.6548 0.5782 0.7875 0.7909 0.5744 1.3094 1.4672 1.262 1.6601 2.7199 1.4829 12.1443 1.6466 1.3257 16.0025 0.9945 0.9569 1 0.607 1.1162 0.7093 1.2011 4.3153 0.3443 0.2438 0.3467 0.4672 0.1622 0.5124 0.1622 arabitol/xylitol 0.8652 0.9985 1.0699 1.2028 0.9734 1.235 1.235 1.2465 1.0015 1.0748 1.126 1.1826 1.1791 0.8992 0.9922 0.9664 1.1351 1.3273 1.2632 0.6383 1.2069 1.2997 1.2363 0.3836 0.5086 0.2523 0.3554 0.4294 0.1565 0.6851 0.0243 arabonate/xylonate 2.3608 2.7806 2.7793 2.7631 2.499 2.5466 3.0407 2.5856 1.59 2.592 2.7519 2.458 2.8396 1.9354 2.0989 0.9184 0.9764 0.7891 0.6001 0.5273 0.825 1.0236 0.7859 0.687 0.404 0.1634 0.2343 0.3002 0.0708 0.4401 0.0084 erythronate 0.7102 0.9568 0.9849 1.3691 0.9838 1.2676 1.2928 1.0949 1.0248 1.1675 0.7291 1.1127 1.3282 0.7602 1.0151 1.3472 1.1732 2.1044 1.5375 0.6418 1.4787 1.5844 1.6367 0.8157 0.5787 0.3292 0.4585 0.6076 0.187 0.9266 0.0507 fructose 1.6517 1.1523 1.4405 0.882 0.6609 0.9709 0.6928 1.5929 1.4253 2.6452 1.6946 1.9116 0.7016 1.3796 2.0606 1.2982 1.188 1.1954 1.2414 0.4584 1.0401 1.0291 0.763 0.254 0.1407 0.0868 0.2461 0.1817 0.0427 0.3683 0.0169 galactitol (dulcitol) 0.2494 0.2494 0.2494 0.2494 0.2494 0.2494 0.2494 0.2494 0.2494 0.2494 0.2494 0.2494 3.9182 0.2494 0.2494 0.2494 1.2482 1.4373 1.3412 0.8217 0.2494 1.3168 1.3981 1.3306 0.795 0.4992 0.687 0.6833 0.2494 1 0.2494 galactonate 1.2306 0.9682 1.3736 0.8976 0.9589 1.1955 0.9101 1.6676 0.8291 1.6347 0.9 1.5964 1.4517 1.3207 1.1786 0.6436 1.7842 0.9203 1.795 1.4499 1.6174 1.0318 1.7549 0.2243 0.7025 0.6373 0.9535 0.7329 0.1664 1.3623 0.0165 glucose 1.3446 0.9679 1.0787 1.0407 0.903 0.8974 0.8981 1.3973 1.0668 1.4934 1.4363 1.2919 1.187 1.1059 1.3791 2.4114 1.0753 0.9799 1.0298 0.6394 0.929 1.0083 0.9917 1.1689 0.554 0.2876 0.4177 0.4905 0.1716 0.671 0.0141 glucuronate 1.164 1.7624 1.5176 1.4326 1.2313 1.5997 1.3048 1.1446 1.6395 1.3505 0.9606 0.8932 0.2551 0.8796 1.1114 0.2465 1.1605 1.0866 1.0198 0.8379 0.9731 1.147 1.1209 0.2324 0.1201 0.4244 0.6463 0.7533 0.3336 0.9802 0.1674 glycerate 1.5136 1.3204 1.6934 1.9803 1.3981 1.5604 1.2541 1.1162 1.5103 1.0531 0.9469 1.171 1.3284 1.4409 0.9304 0.7085 0.6582 0.7635 0.4634 0.8061 1.0915 0.9435 0.7977 0.8107 0.5506 1.317 0.4629 0.7404 0.5622 0.3549 2.2078 isomaltose 3.6382 0.8449 0.981 0.9085 0.7652 0.4976 0.3494 1.6543 0.7425 1.3287 14.4925 1.019 0.3494 2.786 1.8234 0.3494 0.3494 0.3494 0.3494 0.3494 0.3494 0.3494 0.3494 0.3494 0.3494 0.3494 0.3494 0.3494 0.3494 0.3494 0.3494 lactate 1.5711 0.784 1.0261 1.8048 1.6526 1.2469 0.9945 1.4654 1.0055 1.8547 1.4917 2.3739 0.0618 1.9339 1.9375 1.0931 0.934 1.1688 0.5807 0.4512 1.7337 1.0965 0.7751 0.1788 0.3591 0.288 0.3221 0.5169 0.3069 0.3347 0.0926 lactobionate 0.927 1.082 1.4012 1.2841 1.0322 1.0081 1.2678 1.6261 1.1694 1.5261 0.984 1.3955 0.9094 0.9796 1.4897 0.9919 1.2596 1.0199 1.054 0.7836 0.8995 1.3511 1.0259 0.4763 0.6282 0.2769 0.3946 0.438 0.1096 0.5371 0.0103 maltopentaose 1.7935 1.4436 1.8758 2.2702 1.41 1.6709 2.2777 1.0801 1.3603 1.0503 0.9778 0.8912 0.0811 0.6659 1.4407 0.1479 0.7367 1.0491 0.9002 0.4666 1 1.0343 1.3914 0.0192 0.5496 0.3418 0.3534 0.3867 0.1553 1.0604 0.008 maltose 1.3736 1.0332 1.3139 1.7737 1.0841 1.2271 1.5028 1.2408 0.9043 1.1971 0.5587 1.4269 0.1468 0.5293 1.1628 0.9184 0.8936 1.2106 0.9668 0.4781 1.1451 1.2116 1.366 0.0309 0.4075 0.2635 0.3485 0.5543 0.2006 0.5847 0.0309 maltotetraose 14.2926 3.1618 1.3535 2.7889 1.6225 1.364 1.0941 5.0816 1.6845 1.5303 25.3407 1.3563 0.2661 4.5983 4.0068 3.7842 0.7148 0.6674 0.7349 0.3292 0.7399 0.9059 0.8442 0.0527 1.1867 0.2577 0.2913 0.2641 0.171 0.4953 0.0137 maltotriose 1.3194 0.8633 1.2089 1.9307 1.1321 1.0533 1.8508 1.147 0.8376 0.8636 1.6315 1.1174 0.2739 0.7239 1 0.6669 1.2276 1.7359 1.0302 0.5391 1.6091 1.4246 1.9503 0.0425 0.6256 0.2939 0.3586 0.4458 0.1219 0.8693 0.0053 mannitol/sorbitol 1.874 2.0719 2.2738 2.4446 2.1761 2.2529 2.5003 2.7637 1.9791 2.6218 2.1602 2.6543 1.4132 2.0612 2.2072 1 0.021 0.0391 0.0098 0.0169 0.9168 0.0115 0.0149 0.0124 0.0316 0.0114 0.0033 0.0136 0.0126 0.0087 0.0033 N6-carboxymethyllysine 0.7976 0.8604 1.1259 1.2378 0.9527 1.111 1.0362 1.1773 1.0038 1.0574 0.9552 0.9962 1.1731 0.8614 1.0873 0.9691 1.1328 1.5104 1.193 0.8218 1.4609 1.5742 1.3401 0.9258 0.8159 0.4235 0.5994 0.7429 0.2942 1.0394 0.0301 N-acetylglucosaminylasparagine 0.9507 0.9249 1.2356 1.2031 0.9485 1.1121 1.1959 1.0347 0.7434 1.011 1.1881 1 49.9543 0.9772 0.9005 4.1205 0.1781 0.1356 0.0375 0.0375 0.0375 0.1223 0.0375 7.3795 0.0454 0.0375 0.0375 0.0375 0.0375 0.0375 0.0375 N-acetylmuramate 1.0424 0.4551 1.2456 1.5232 1.0577 1.1706 0.9891 1.0567 1.3879 0.5786 0.4064 0.9919 4.1895 1.0595 1.0388 2.4226 0.9405 0.7183 0.9715 0.6547 0.8756 1.0081 0.4461 4.6889 0.6641 1.1904 0.7946 0.7342 0.4637 1.1196 0.1116 N-acetylneuraminate 1.2134 1.8739 1.4448 1.5193 1.4082 1.3384 1.3044 1.0047 1.2452 1.1699 0.9953 1.1292 10.9575 1.1529 1.0818 1.3111 0.4491 0.2319 0.4194 0.5316 0.2181 0.4025 0.3002 1.0555 0.5789 0.4776 0.5069 0.5264 0.5131 0.6094 0.1989 pyruvate 0.6213 1.5433 2.0054 3.8531 3.4298 2.6363 1.8891 1.025 1.0701 0.975 0.4583 1.1432 0.2895 0.5233 0.598 3.4414 10.327 6.4937 10.955 0.3559 5.4864 7.9143 1.3761 0.2065 0.2843 0.2381 0.3529 0.4732 0.2666 0.4162 0.0394 raffinose 21.6141 5.1058 1.5737 2.9935 1.8068 1.4438 0.8058 8.9343 3.361 3.651 37.9153 1.4903 0.2493 7.9867 7.6651 3.8486 0.5941 1.0078 0.5347 0.1735 0.8323 1 0.7203 0.4566 0.6876 0.1639 0.2956 0.2174 0.1367 0.1293 0.1028 ribonate 1.0994 1.0486 1.1642 0.9843 1.0268 1.1486 1.2325 1.2881 1.0898 1.2573 1.2134 1.3441 1.0627 0.9468 1.1585 1.2407 0.8274 0.9573 0.9442 0.6617 0.956 1.0397 1.0157 0.5314 0.5042 0.268 0.3736 0.4634 0.1144 0.8324 0.0202 ribose 0.6037 0.6701 0.4777 0.6143 0.6561 0.7087 1.1438 0.8205 0.4759 0.7693 0.6728 1.132 1.9366 0.8731 0.7696 3.9594 1.4937 1.1269 0.8705 0.7453 1.313 2.4705 1.5067 8.0886 1.1511 1.4201 1.5718 1.426 2.7776 0.6441 0.577 ribulose/xylulose 1.135 1.255 1.0039 1.754 1.326 1.4483 1.8462 1.1297 0.9961 0.8484 0.8414 0.8601 4.5678 0.7533 0.7619 3.4107 0.9028 1.1064 1.0129 0.4052 1.5648 1.3279 1.1567 1.4845 0.2697 0.1715 0.2418 0.2296 0.1746 0.2786 0.0583 sedoheptulose 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 1 0.4275 0.4275 1.5905 0.4275 0.7079 sucrose 6.4057 1.8133 2.0937 2.2035 1.1284 0.9198 0.8574 4.6646 2.2433 4.3094 6.8204 2.6155 0.461 3.6609 5.7608 3.2531 0.8457 1.2664 0.6865 0.2859 1.0802 0.8902 1.2266 0.3823 0.3659 0.2003 0.2862 0.3283 0.0892 0.4267 0.0406 xylose 0.4851 2.0846 1.4632 1.4595 1.4367 1.5781 1.6671 0.233 1.0304 1.4836 0.7728 0.7426 3.633 1 1.1157 0.233 0.9914 0.6534 0.233 0.7549 0.6203 0.233 1.1873 1.436 0.6224 0.2561 0.4526 0.4395 0.233 0.4698 0.233 1-methylnicotinamide 2.5376 4.5208 0.7835 1 0.8667 0.6489 2.4617 2.009 1.0826 0.546 1.413 1.9476 2.2146 0.5461 0.5044 2.3396 2.0084 2.127 1.2275 0.3556 0.7243 1.1404 2.1596 1.3286 0.6541 0.7426 0.9526 0.3047 0.2999 0.5166 0.4701 alpha-tocopherol 0.815 1.0087 1.0227 1.037 0.846 0.9228 0.9111 0.8393 0.9895 0.9993 0.8246 0.914 1.1259 0.7158 0.8504 1.1383 1.0007 0.953 0.981 1.0337 1.0276 0.9573 1.0193 1.4751 1.0385 1.0198 1.0845 1.1659 0.7716 1.1686 0.4402 alpha-tocopherol acetate 0.9319 0.5914 1.0967 1.2944 0.8009 0.8648 0.6681 0.7774 1.1869 1.9255 0.9978 1.3955 0.7959 1.1662 1.2327 1.1177 0.9121 1.0022 0.9925 0.9459 1.2759 1.2466 0.7053 1.2077 0.9475 0.9926 1.0044 1.5013 1.5145 1.4178 0.7298 alpha-tocotrienol 0.5122 0.6402 1.0343 0.963 0.7287 0.8886 0.9657 0.7749 1.4258 0.7037 0.6483 0.9147 2.4376 0.5241 0.9646 0.7934 0.9054 1.1268 1.5193 1.4764 1.1371 1.3651 1.1438 1.2584 1.1825 1.2822 0.9371 1.8844 1.0664 2.3793 0.4778 bilirubin (Z,Z) 0.6598 1.323 0.3315 1.0507 1.1007 0.4398 0.6843 0.3315 1.0083 0.4082 0.4298 0.3315 2.3427 0.6137 0.5107 0.3315 0.4481 0.4633 0.3315 1.3707 1.1582 1.2758 0.8434 1.6019 1.512 0.9301 1.2426 1.9 0.9917 1.2946 0.5716 biliverdin 1.1489 1.6379 2.1818 1.0033 1 2.1155 0.8372 1.5002 3.2532 2.3553 0.9211 0.8101 1.3048 1.0854 1.5697 0.9723 1.1477 0.7489 0.6329 0.8131 0.9827 1.2527 0.6602 1.45 0.9649 0.1224 0.1224 0.3163 0.1224 0.8638 0.1224 delta-tocopherol 0.6587 0.5919 1.1243 0.9168 0.7261 0.6442 0.7221 1.1539 1.1185 0.8816 0.9677 1 0.8815 0.7714 1.1153 1.2823 0.9187 0.9741 0.919 1.3039 1.1267 1.1488 1.1448 1.374 1.4832 1.0669 0.907 1.2441 0.6965 1.1801 0.5919 D-urobilin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 flavin mononucleotide (FMN) 0.4481 0.4481 0.4481 0.4481 0.4481 0.4481 0.4481 0.4481 0.4481 0.4481 0.4481 0.4481 0.4481 0.4481 0.4481 1.283 0.4481 0.4481 0.5029 0.4481 0.4481 0.6741 0.4481 1.1882 0.4481 0.9833 0.9982 1.5495 1.8559 0.4481 1 gamma-tocopherol/beta-tocopherol 0.763 0.8253 1.0311 0.888 0.8303 0.8517 0.9122 1.3216 1.582 1.1133 1.177 1.0499 0.9989 0.9585 1.3174 1.2155 0.9864 0.968 0.9972 1.0174 1.0011 0.8903 0.9712 1.4375 1.5881 1.0378 0.9846 1.2453 0.7419 1.1023 0.3242 gamma-tocotrienol 0.4668 0.4668 0.6854 0.4668 0.6635 0.4668 0.6584 0.4668 0.4668 0.6073 0.4668 0.5511 1.2315 0.4668 0.4668 1.1242 0.4668 1.1251 1.1679 1.239 1.0992 0.4668 0.6585 0.9382 1.0618 0.8264 0.7632 1.571 1.421 1.0836 0.7041 glucarate (saccharate) 0.557 1.2921 1.5597 1.5713 1.2565 0.9581 1.3268 1.738 0.6929 1.6261 1.6919 1 1.9604 0.6554 0.9876 0.3065 1.0943 0.5457 1.6344 0.7774 0.7616 2.0425 1.1049 0.3207 0.6197 0.3674 0.7495 1.3077 0.0671 1.8364 0.0287 gulonate 0.858 1.4286 0.9964 1.0555 0.9056 1.2353 1.3328 1.0036 1.1887 0.9354 1.1646 0.9192 1.0178 1.0799 1.2208 0.9318 1.1788 1.1164 1.1471 0.6827 1.038 1.3317 1.2504 0.2711 0.5908 0.2979 0.4361 0.5749 0.1712 0.7998 0.0188 heme 1.3206 1.4652 0.9996 0.8636 0.8165 1.1618 1.0971 0.7961 1.0004 0.9367 0.6167 0.5134 0.5508 1.1856 0.7563 0.7601 0.9301 1.0076 0.4908 0.9449 1.891 1.165 0.754 1.6147 1.2012 1.3841 2.7406 2.0521 1.7664 0.8514 1.0863 N1-Methyl-2-pyridone-5-carboxamide 0.8145 0.7335 1.2079 1.2021 0.7848 0.8855 0.7735 0.9014 0.95 1.5443 0.7951 0.9268 0.9175 1.0995 1.1989 0.9282 1.0515 1.1803 0.8753 0.7659 1 1.1483 1.2962 1.2583 1.125 1.0965 1.4261 1.1793 0.6159 1.4457 0.9083 nicotinamide 0.9262 0.9065 0.963 0.7714 0.9981 1.0439 0.819 0.8958 0.9772 1.0828 1.0019 1.084 1.4133 0.9329 1.0158 2.2528 1.1226 0.9363 1.1627 1.1002 0.7401 0.9818 0.9668 0.8744 0.841 1.0795 1.1091 1.3244 1.1292 0.4581 1.2861 nicotinamide riboside 0.7921 0.8178 0.7898 0.9516 0.7758 0.8036 0.7782 0.9499 0.7982 0.9478 0.7769 1.3961 2.4014 0.8331 0.8651 4.9708 1.6567 1.232 1.1912 0.5757 1.3156 1.0484 1.5788 3.5151 1.0653 1.0529 1.4129 1.3431 0.7244 1.1424 0.1905 nicotinate 0.8143 0.7881 0.6491 0.635 0.5086 0.7154 1.4417 1.0966 0.7456 1.0327 0.9201 0.9526 1.0155 0.5297 0.9078 1.5883 1.4739 1.1724 1.4936 0.7282 1.0615 1.4783 1.979 2.7683 0.8138 1.0843 1.3273 1.0824 0.7829 0.9845 0.3871 nicotinate ribonucleoside 1.0278 0.9489 1.1545 1.1922 1.145 1.1125 1.1186 0.9018 0.9049 0.9458 1.2628 1.0581 1.4336 0.9304 1.0381 1.5934 1.4127 1.0124 1.2058 0.7093 0.9043 1.0251 1.166 0.9824 0.1206 0.4106 0.4238 0.6856 0.1886 0.9876 0.0548 oxalate (ethanedioate) 0.7875 0.9763 0.8168 0.7411 0.8112 0.8139 1.0719 1.0237 0.6837 0.8872 0.9519 0.9586 1.3439 1.2331 0.9269 1.2176 0.861 0.8661 0.866 2.9497 0.9346 1.4714 0.9576 10.658 4.7472 6.2332 8.4172 9.1633 5.343 4.2786 4.4622 pantothenate 0.2934 0.6535 0.4234 0.3787 0.4086 0.4951 1.1708 0.3853 0.3954 0.2688 0.1909 0.4504 2.5173 0.1863 0.2776 4.4097 1.1618 1.2707 1.519 0.7711 1.2654 1.6716 1.6619 7.5758 0.8984 2.1588 1.6476 1.1016 2.0701 0.8436 1.3208 pyridoxal 0.7308 0.7395 0.639 0.6712 0.6294 0.7839 0.936 0.848 0.6141 0.7963 0.816 0.8091 3.4563 0.7057 0.7566 9.4117 1.1655 1.4785 1.1601 0.9067 1.2008 1.5724 1.2962 10.2925 1.2076 1.064 1.4046 1.2761 1.0693 1.1607 0.7506 pyridoxamine 0.1913 0.2202 0.2078 0.2862 0.3273 0.247 0.1731 0.227 0.2171 0.1808 0.3212 0.3443 1.3959 0.3897 0.3653 2.747 1.4128 1.0057 1.7138 1.099 0.7171 0.9943 1.4436 10.3691 1.7669 2.7485 2.6003 2.8108 3.6527 1.3414 1.2434 pyridoxate 0.8578 0.7927 0.7702 1.0916 0.9389 1.0064 1.0981 1.2345 1.0221 1.1059 1.049 1.1661 0.7603 0.9936 1.147 1.1697 0.9606 1.355 1.1879 0.4932 1.2434 1.2538 1.3247 0.645 0.3987 0.1527 0.2006 0.2958 0.0943 0.5748 0.0311 pyridoxine (Vitamin B6) 0.8652 0.8275 1.1737 1.1151 1.1794 1.2199 0.9062 0.9796 1.0204 1.216 0.9149 1.2083 1.8702 0.9761 0.895 3.4331 1.0248 1.343 1.3445 0.4531 1.3385 1.2018 1.1729 2.7962 0.4806 0.2034 0.2676 0.4104 0.1468 0.5699 0.0358 quinolinate 1.1995 2.6785 1.12 1 1.155 1.5916 1.6911 1.2322 1.027 1.1521 1.3653 0.9679 0.9944 0.7754 0.7999 0.4479 1.3064 1.7 0.9522 0.5497 1.0404 1.1191 1.2718 0.2302 0.3435 0.1485 0.3808 0.3039 0.0407 0.9091 0.0407 riboflavin (Vitamin B2) 0.1267 0.1961 0.1267 0.1267 0.1267 0.1267 0.3136 0.1267 0.1267 0.1267 0.1267 0.1267 1.1224 0.1267 0.1267 1.9463 0.6236 0.948 0.9619 0.9855 0.8362 1.2349 0.9852 4.0227 1.1581 2.4419 1.8927 2.1009 3.0268 1 0.9039 thiamin (Vitamin B1) 1.2715 0.881 0.7591 1.1352 1.3208 0.9385 1.2454 1.2129 0.7644 1.1181 4.11 0.7917 0.832 0.63 0.6591 0.2041 1.2379 1.3383 0.7617 0.7263 0.9595 0.9319 0.9992 1.4993 1.0328 1.0108 1.0226 1.0008 1.2758 0.5422 0.2017 threonate 0.9055 1.2431 1.1911 1.3639 1.3725 1.2431 1.5891 1.1647 1.0325 1.1385 1.069 1.1624 1.4241 0.9616 1.1265 0.6696 0.2013 1.5157 0.4079 0.107 0.9994 1.0006 1.0484 0.0649 0.1144 0.1824 0.1727 0.2448 0.1557 0.1228 0.1455 trigonelline (N'-methylnicotinate) 0.7654 1.0042 0.7073 0.6648 0.6544 0.8359 1.0946 1.113 0.6588 0.8767 0.8169 0.7577 1.3174 0.546 0.7055 1.0039 0.9182 1.3104 1.0715 1.5898 0.994 0.8939 1.0817 2.0898 1.9988 2.0684 3.2969 3.1581 0.9961 1.8084 1.0689 2-methylcitrate/homocitrate 1.0127 0.6983 0.1863 0.9873 0.8523 0.7775 1.0432 0.8871 0.1863 0.1863 1.1568 0.1863 0.1863 1.2429 0.9542 0.1863 1.0897 1.2862 1.4096 1.2984 0.9373 1.1467 0.1863 1.9081 0.7309 1.0207 0.8694 0.7691 0.4187 1.0577 0.8394 aconitate [cis or trans] 1.0091 0.389 0.661 1.1159 0.8093 0.7 0.6889 0.7823 0.6843 1.3175 0.7583 1.745 1.0807 1.4407 1.1939 0.9909 0.6209 0.9178 0.5398 1.9731 0.9436 0.5611 0.5037 2.2147 1.7978 4.036 2.7596 2.5286 2.7798 1.3411 4.0633 alpha-ketoglutarate 0.3267 0.6026 0.5036 0.4203 0.421 0.4319 0.4408 0.3902 0.7202 0.4442 0.3872 0.3492 1.2798 0.2368 0.3848 1.3931 6.0745 5.8562 10.71 2.8423 4.2677 5.2394 5.0197 0.0644 3.7196 4.5292 5.5383 5.3356 4.2916 3.3664 0.5339 citraconate/glutaconate 0.884 0.907 0.638 1.2128 1.1818 1.0212 1.1645 2.5669 1.3818 1.7266 1.0291 3.0763 0.4475 1.1092 1.2779 0.2973 1.2391 2.2509 0.9788 0.6257 1.5275 1.8869 1.7925 0.333 0.5665 0.3272 0.3122 0.5296 0.3056 0.7188 0.1827 citrate 1.2595 0.3525 0.6218 0.8736 0.983 0.7184 1.0478 0.7858 0.5857 1.1088 0.7337 2.0987 0.8935 1.6896 1.017 1.3199 0.6459 0.5988 0.5011 1.8468 0.6974 0.576 0.4227 2.2157 1.7609 2.3305 1.5825 1.5223 1.8063 1.2715 2.446 fumarate 0.2757 0.4023 0.1507 0.1538 0.2521 0.2348 0.5823 2.465 0.3675 3.9908 0.5379 12.5461 8.1524 1.3497 4.5571 12.9405 0.374 0.2278 0.2697 0.93 0.3279 1.01 0.1904 14.1268 4.6994 5.158 3.0155 2.8015 5.7389 0.99 6.5951 isocitric lactone 0.7273 0.9865 0.9926 1.2011 1 1.1486 1.0441 1.4025 0.9605 1.2633 1.1518 1.3703 1.0627 0.8358 1.1088 0.864 1.1511 1.1075 1.2955 0.3057 1.2749 1.3503 1.2524 0.3276 0.2217 0.1044 0.1831 0.2442 0.0255 0.583 0.0008 malate 0.851 0.5954 0.4423 0.5572 0.4833 0.5893 1.1967 0.6006 0.4439 0.8291 0.6563 1.9928 9.9536 0.9409 1.1502 12.3962 0.7604 0.5833 0.4074 3.1089 0.7188 1.0591 0.5467 16.8677 7.5613 7.7699 5.9485 6.2526 9.2983 1.5664 2.9074 phosphate 0.3799 0.7925 0.7775 0.7145 0.5005 0.388 0.9767 1.0233 0.7217 1.4838 0.5602 1.1173 1.1189 0.5023 0.9685 0.8703 1.3449 0.6405 1.2314 1.6026 0.4265 1.5178 0.6016 3.7689 2.4599 2.2138 3.1019 2.5772 2.2323 1.3054 0.7633 succinate 0.3792 0.2812 0.2481 0.2303 0.3191 0.2942 0.5483 0.8312 0.4162 0.7962 0.9275 0.4937 28.7814 0.7532 0.6255 44.9284 2.1663 2.2439 2.2449 0.8382 1.0725 1.4507 1.3699 29.3905 10.8032 2.9869 2.5362 2.5819 4.4916 0.9201 1.7053 succinylcarnitine 1.1275 1.2973 1.2438 1.191 0.8937 1 1.4849 0.1491 0.8675 0.9945 1.1719 0.1491 0.1491 0.7838 0.8947 0.1491 1.1605 1.0916 0.1491 0.2805 0.1491 1.2821 1.2879 0.1491 0.3779 0.1491 0.1491 0.1491 0.1491 0.3412 0.1491 tricarballylate 0.6404 0.9984 1.2602 1.082 0.9467 0.8024 1.0757 1.2831 1.0562 1.2829 0.7926 1.1946 1.8787 0.8403 1.154 1.2203 0.969 0.7905 1.2307 1.0016 0.8159 1.1494 1.2652 1.6128 0.7867 0.5918 0.5269 0.8786 0.1797 0.5335 0.2087 1-(1-enyl-oleoyl)-2-oleoyl-GPE (P-18:1/18:1) 0.8985 1.7396 1.0818 0.4682 0.7698 0.9098 1.3649 1.1051 0.976 0.6769 0.81 0.6396 1.3101 0.7172 0.9308 0.8143 1.1985 0.4824 0.8516 1.024 0.2551 1.9098 0.4936 1.3605 1.74 3.3481 4.1089 2.0566 3.2902 1.4296 3.7305 1-(1-enyl-oleoyl)-GPE (P-18:1) 0.68 1.0295 0.9705 0.4762 0.3759 1.4531 1.8992 0.2493 0.3053 0.3055 0.2827 0.1505 3.9912 0.3335 0.2269 0.8465 0.8924 0.6243 1.3844 10.6093 0.5634 1.5723 0.5812 20.1761 3.5455 21.9741 17.8724 13.4668 31.5361 5.8877 20.0418 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4) 0.1543 1.1617 0.8874 0.1543 0.6029 0.8274 1 0.1543 0.6772 0.4172 0.1543 0.1543 0.7191 0.1543 0.1543 0.1543 0.4307 0.2838 0.1543 1.8649 0.1543 4.0824 0.1874 1.0002 1.8793 4.6204 3.9525 3.7029 7.6854 1.2373 6.7081 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4) 1 1.9654 0.8622 0.8143 0.8787 1 1.4112 0.8953 0.7973 0.8194 0.7179 0.5812 1.2538 1.0295 0.6595 0.6459 1.0514 0.4147 0.7511 1.495 0.4242 4.3021 0.4333 1.3914 2.1133 4.2754 3.9524 3.3743 6.6587 1.5528 4.6828 1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2) 0.7375 1.7248 1.0754 0.7528 0.6222 0.9227 1 0.5211 0.665 0.4799 0.4391 0.2653 1.0461 0.491 0.2653 0.2653 0.8397 0.3734 0.6312 2.2543 0.2653 5.832 0.3613 2.1395 2.8471 7.4728 5.9169 4.8376 15.5911 1.8934 10.9291 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2) 0.9296 2.3564 0.924 0.9292 0.9566 0.958 1.4646 1.1901 0.873 1.042 0.9133 0.7464 1.0694 0.8108 0.9103 0.68 1.3053 0.451 0.8244 1.4426 0.5782 3.1383 0.5699 1.2267 2.6329 4.5269 4.2956 3.4694 9.1113 1.7086 5.755 1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1) 0.9479 1.7948 1.3683 0.7114 0.5492 1.0157 1.2097 0.7719 0.9363 0.802 0.4346 0.3222 1.2022 0.5192 0.6128 0.7122 0.9809 0.4912 0.9843 2.3837 0.2613 3.663 0.501 2.484 2.5756 8.3338 7.0761 5.2398 13.3562 2.1413 11.8617 1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1) 0.9046 1.7756 1.0374 0.7316 0.6987 0.9582 1.284 1.0948 0.8981 0.9626 0.816 0.6724 1.1549 0.6673 0.7053 0.8342 1.1286 0.4959 0.8397 1.2434 0.3537 1.9123 0.4983 1.3946 1.9799 3.9938 3.8998 2.9396 5.045 1.3867 4.0137 1-(1-enyl-palmitoyl)-GPC (P-16:0) 0.1737 0.1737 0.2407 0.1737 0.1737 0.1737 0.2228 0.1737 0.1737 0.1737 0.1737 0.1737 0.3587 0.1737 0.1737 0.1737 0.1737 0.2393 0.3543 1.1209 0.1737 0.4843 0.2559 1 1.0928 2.1978 1.7633 1.8946 3.2469 1.0652 2.9951 1-(1-enyl-palmitoyl)-GPE (P-16:0) 0.7271 1.1229 0.6695 0.4559 0.5164 1.0589 1.0248 0.3342 0.5394 0.2984 0.2866 0.188 1.4405 0.2123 0.2366 0.6671 0.8763 0.9752 1.3021 3.5615 0.642 1.5359 0.774 4.3117 2.7241 5.5013 4.8966 5.0837 7.8956 3.0596 6.1261 1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4) 1.0147 2.1337 0.9532 0.9297 1.0338 0.9603 1.4331 0.9803 0.8388 0.805 0.8055 0.5905 1.2281 0.9853 0.7294 0.7 1.1287 0.4305 0.8475 1.5251 0.4873 4.8907 0.5023 1.6181 2.4951 5.2163 4.7344 3.7745 8.777 1.7454 5.4879 1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2) 0.7805 2.3774 0.9558 1.343 0.6617 0.646 1.2575 0.9633 0.6979 1.2049 0.7897 0.8201 1.0367 0.6743 0.5184 0.8819 1.3257 0.3862 0.7095 1.3936 0.7058 3.1561 0.5582 1.1706 2.7784 5.5657 4.2439 4.1121 11.9968 1.5786 4.9496 1-(1-enyl-stearoyl)-GPE (P-18:0) 0.7668 1.202 0.8586 0.5959 0.542 1.0213 0.9912 0.4862 0.7549 0.456 0.396 0.251 1.6155 0.2461 0.3515 0.7402 1.0088 0.9202 1.3631 3.0422 0.7372 1.4571 0.8529 4.6898 2.7012 5.5284 4.8764 4.77 7.6887 2.8156 5.7276 1,2-dilinoleoyl-digalactosylglycerol (18:2/18:2) 0.8923 0.2795 1.414 1.0775 1.0493 1.5684 0.6464 1.1712 1.3447 1.1163 0.4379 0.2795 0.4656 0.9099 0.8271 0.5184 1.2901 1.6669 1.2308 0.6038 1.3858 0.5837 1.2063 0.9507 0.4655 0.2795 0.2795 0.561 0.2795 1.2136 0.2795 1,2-dilinoleoyl-GPC (18:2/18:2) 0.9781 1.0517 0.9499 0.7565 0.8746 0.8199 1.0749 0.9851 0.8039 0.7029 1.0149 0.5524 0.6759 1.2944 1.3523 1.1432 1.8505 1.8517 1.0503 0.6768 0.5418 2.3934 0.8315 0.4534 1.102 2.0646 1.6039 1.3489 4.7998 0.6423 3.5765 1,2-dilinoleoyl-GPE (18:2/18:2) 0.8914 1.227 0.7784 0.8747 1.057 0.8305 1.0463 1.2864 0.8562 1.0056 1.1106 0.6008 0.7204 1.9476 1.2629 1.172 1.5845 0.9838 0.8218 0.5687 0.6757 2.6407 0.5832 0.466 1.0261 1.7907 1.1767 0.9944 3.2658 0.3599 3.3869 1,2-dipalmitoyl-GPC (16:0/16:0) 0.9306 1.4132 0.7032 0.6288 1.2602 1.2615 1.829 0.7983 0.7314 0.8013 0.6211 0.4952 0.7842 1.5077 0.6659 1.2086 1.0376 0.6331 0.5492 0.9624 0.7826 9.4032 0.4604 2.037 1.6816 2.498 2.2537 1.7793 6.1008 1.5454 6.0605 1,2-distearoyl-GPC (18:0/18:0) 0.7428 1.0824 1.0091 0.5964 0.6535 0.7836 0.7856 0.8301 0.7676 0.9071 0.7133 0.5964 1.1385 0.5964 0.7389 0.8523 0.5964 0.5964 0.8639 0.9909 0.5964 1.0576 0.5964 2.2936 1.3081 2.7505 2.9067 2.1491 3.3013 1.2213 4.3648 10-heptadecenoate (17:1n7) 0.576 0.6639 0.445 0.6849 1.6435 0.8904 0.9208 0.6653 0.5667 0.4303 0.5243 0.3081 1.03 0.9887 0.4818 0.7908 0.5569 1.0668 1.0113 2.7227 1.166 1.0744 0.8602 11.9729 4.9233 3.8749 4.0932 3.1917 8.5873 1.7181 8.4228 10-hydroxystearate 0.1647 0.3616 0.2745 0.4097 0.3801 0.4846 0.86 0.3591 0.3285 0.1758 0.0738 0.0515 2.2984 0.0798 0.1722 0.5837 1.1441 1.2123 2.4922 2.9056 0.8573 1.14 1.1763 6.1262 3.9678 5.9148 6.4934 5.685 3.9425 3.3644 1.7754 10-nonadecenoate (19:1n9) 0.8139 0.5892 0.716 0.5892 3.0308 1.0501 0.9297 0.8543 0.7359 0.5892 0.8009 0.5892 0.5892 2.1823 0.7363 0.797 0.7047 0.9499 1.3753 2.6725 0.5892 1.3054 0.9088 0.5892 3.0812 2.985 2.8748 2.3788 8.4263 0.8428 7.0842 12,13-DiHOME 0.6711 0.5427 0.6312 0.779 0.9047 0.7964 1.5762 0.793 0.9859 0.86 0.8645 0.6039 1.3003 0.7427 0.9648 0.9572 0.7845 1.0876 1.6662 1.5077 1.0141 1.6253 1.9762 4.2246 1.2649 2.0138 0.9256 1.0241 4.5537 1.6625 5.7172 12-HETE 0.6986 0.1468 0.5011 0.427 0.5678 0.9612 1 0.2104 0.3747 0.1468 0.1537 0.1468 1.9416 0.4326 0.1468 0.9018 0.8852 1.3714 1.1797 1.9732 0.7461 1.1696 0.6062 1.5495 1.661 4.3412 2.5039 3.0279 4.4776 1.9419 1.6653 13-HODE + 9-HODE 1.2035 0.6488 0.9407 0.2457 1.9501 1.0561 2.4041 1.0033 0.9967 1.0537 1.3734 0.8365 0.3143 1.2922 0.9683 0.4283 0.3204 0.5353 1.0662 0.5109 1.1432 1.6126 0.1952 0.9176 1.0505 1.1405 0.9197 0.6781 5.714 0.5458 6.398 13-methylmyristate 1.0311 1.2629 1.0419 0.8562 0.9583 0.871 0.7293 1.1447 1.1053 0.4755 0.6012 0.558 28.3942 0.864 0.588 23.5177 0.7065 0.66 0.9689 1.5741 0.9326 0.7966 0.6353 705.8217 1.5689 1.0579 1.4251 1.751 1.7271 0.7589 1.7471 15-methylpalmitate 0.7125 0.8483 0.6797 0.9354 1.2534 0.9835 0.7713 0.7614 0.8016 0.6701 0.8658 0.6134 1.3534 1.1646 0.7141 1.0952 0.8535 0.9293 1.018 1.6458 1.0165 0.8623 0.9616 11.5713 2.0064 1.5379 1.7007 1.5657 2.455 1.1995 2.4718 17-methylstearate 0.6714 0.9542 0.9118 0.8938 1.6034 1.1543 0.7247 0.7433 0.786 0.552 0.7996 0.3651 0.9774 1.2275 0.3651 0.8958 0.7556 0.6472 1 2.8466 1.0157 1.29 0.9012 3.574 2.1408 1.6714 2.4147 2.3521 4.3382 1.7499 3.1262 1-arachidonylglycerol (20:4) 0.2445 0.9766 0.2445 0.2445 1.0717 0.3532 0.6818 1 0.4051 0.2445 0.2445 0.2445 0.7277 0.4964 0.3988 0.3565 0.265 0.2445 0.7072 1.1973 0.2445 2.9657 0.2445 1.1428 2.2606 3.4694 4.0857 2.1135 7.5741 1.1484 5.6714 1-dihomo-linolenylglycerol (20:3) 0.5201 1.347 0.8623 0.9523 1.9851 0.6277 1 0.9694 0.6555 0.4363 0.3494 0.1749 1.5737 0.7365 0.1749 0.6108 0.829 0.3064 1.2471 1.3398 0.1749 2.0283 0.326 1.2136 2.8386 4.166 2.5847 3.1166 11.129 1.691 4.8319 1-docosahexaenoylglycerol (22:6) 0.4727 1 0.6698 0.8881 1.0985 0.8402 0.8061 1.0105 0.5194 0.4927 0.4226 0.2301 1.0651 0.846 0.4588 1.2025 0.5556 0.49 1.0645 1.9375 0.733 2.0371 0.7434 1.7329 3.4762 2.657 2.7412 2.0099 6.3598 1.6838 4.3295 1-eicosapentaenoylglycerol (20:5) 0.3319 0.3319 0.3319 0.3319 0.67 0.4847 0.4765 0.3319 0.3319 0.3319 0.3319 0.3319 0.9253 0.3319 0.3874 0.8907 0.3319 0.3319 0.904 2.0367 0.3319 1.5194 0.3319 0.3319 3.6721 4.2468 4.5031 2.8434 12.9931 1 7.3006 1-lignoceroyl-GPC (24:0) 0.646 0.4912 0.8543 0.746 0.7994 0.7986 0.7804 1.1653 0.619 0.9195 0.5175 0.4577 0.7027 0.8419 1.0487 1.3163 0.8619 1.52 1.0636 1.4295 0.8708 1.8515 0.9513 1.8002 2.0138 3.3427 2.2312 2.8084 5.2266 2.3708 5.1761 1-linolenoylglycerol (18:3) 0.2566 0.8386 0.7402 0.9731 1.8305 0.9718 0.4819 1.1641 0.7675 0.2566 0.6564 0.2566 0.6702 0.8247 0.5158 1.0721 0.6609 0.7464 2.6464 1.665 1.0269 2.0417 0.8731 0.2566 2.8619 2.0538 2.6994 2.2621 11.9868 1.3086 2.9183 1-linolenoyl-GPC (18:3) 1.0169 0.9831 0.8369 0.7297 1.3353 1.0875 1.2766 0.5001 0.61 0.3123 0.4778 0.2911 0.613 0.7209 0.5283 0.6634 0.9675 1.4916 0.9486 2.6412 0.456 2.6147 0.5868 1.5782 2.991 5.0107 3.7175 2.9571 7.6286 2.1693 6.8513 1-linoleoylglycerol (18:2) 0.4859 0.7141 1.0152 0.6903 1.4875 0.8179 0.6504 1.1936 0.8821 0.4579 0.5006 0.3134 0.8379 1.2195 0.8434 1.0654 0.823 1.0999 2.276 1.3857 1.4791 1.4651 0.662 0.315 2.4556 1.6656 2.0337 1.3814 8.2207 0.9848 2.2678 1-linoleoyl-GPC (18:2) 0.9315 0.3749 1.0553 0.7367 1.1469 0.3963 1.123 0.4654 0.5547 0.3908 0.5142 0.35 0.1934 0.5684 0.955 1.081 1.9402 4.4852 1.4637 1.5083 0.2973 1.6301 1.4796 0.8698 1.262 2.1521 1.3352 1.045 4.8362 0.6886 4.3615 1-linoleoyl-GPE (18:2) 0.9047 0.4173 0.9799 0.7348 0.8988 0.5764 0.9661 0.5345 0.6782 0.4774 0.3481 0.3481 0.4856 0.6859 1 1.1976 1.4256 3.4119 1.2927 1.5484 0.6966 1.594 1.7203 1.0069 1.2226 2.4126 1.6325 1.2683 4.5995 1.289 4.386 1-linoleoyl-GPG (18:2) 0.3505 0.3505 0.3505 0.3505 0.3505 0.3505 0.3505 0.3505 0.3505 0.3505 0.3505 0.3505 0.3505 0.3505 0.3505 0.3505 0.3505 0.3505 0.3505 1 0.3505 0.3505 0.3505 0.3505 0.3505 1.8572 0.8074 0.6809 6.0939 0.3505 2.5848 1-myristoylglycerol (14:0) 0.5052 0.6854 0.9585 0.8024 1.0539 0.7869 0.6381 1.003 0.6715 0.6588 0.52 0.6769 1.0187 1.1318 0.7033 0.997 0.9291 0.9283 1.6271 2.6636 1.2971 1.1599 1.1596 3.6842 2.79 2.5463 1.8438 1.2797 6.7229 0.9907 2.9245 1-oleoyl-2-linoleoyl-GPC (18:1/18:2) 1.2236 2.1928 0.8343 0.8534 1.3079 0.9436 1.4104 0.8625 0.7565 0.6887 0.8661 0.5295 0.8698 0.8968 0.9512 1.0306 1.3971 0.9193 0.9965 1.0202 0.4704 3.728 0.8651 1.0035 1.63 3.0774 2.9565 2.1447 4.7726 1.1157 4.0912 1-oleoyl-2-linoleoyl-GPE (18:1/18:2) 1.0224 2.1325 0.8514 1.1738 1.082 0.9776 1.3591 1.0855 0.7617 0.8433 0.7906 0.6137 0.928 1.1803 0.8069 1.1672 1.2528 0.5177 0.6577 0.8048 0.7084 3.2286 0.4845 0.8708 1.4626 2.5801 2.2657 1.5966 3.9993 0.7027 3.2846 1-oleoylglycerol (18:1) 0.8388 0.8272 0.825 0.6991 1.8093 1.0052 0.7637 5.1359 0.7871 0.737 0.5323 0.35 1.6418 1.2641 0.6505 0.8962 0.8212 0.9948 1.5773 1.4146 1.1937 1.5008 0.6094 0.3833 2.5512 1.8947 2.1673 1.7372 6.7597 1.8178 2.7548 1-oleoyl-GPC (18:1) 0.9726 0.8812 0.8495 0.7071 1.3936 0.8471 1.2208 0.3725 0.6053 0.3856 0.4423 0.2114 0.3568 0.5186 0.7031 0.9716 1.1535 2.4303 1.1772 2.3225 0.3226 2.514 1.0274 2.1918 2.2846 5.263 3.5381 1.967 10.0493 1.8335 8.4999 1-oleoyl-GPE (18:1) 0.7228 0.9361 0.8868 0.665 1.1605 1.0639 1.6303 0.4446 0.3951 0.7536 0.6154 0.4229 1.414 0.7803 0.5683 1.3319 0.7522 0.6311 0.6708 4.003 0.4373 1.6474 0.576 3.2692 2.758 12.5695 7.5113 5.9682 19.7928 1.9767 12.201 1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2) 1.0837 3.6439 0.5235 0.9163 1.2038 1.166 2.6679 0.9089 0.505 0.1195 0.5716 0.2841 0.4989 0.7544 0.4516 0.617 1.9312 0.4552 0.6241 1.5044 0.2569 6.6044 0.5788 1.2531 3.6669 6.0231 5.4477 3.7737 11.534 1.7833 11.9754 1-palmitoleoyl-GPC (16:1) 0.1669 0.2272 0.1669 0.1669 0.1669 0.1669 0.5059 0.1669 0.1669 0.1669 0.1669 0.1669 0.1669 0.1669 0.1669 0.1669 0.1669 0.2704 0.1669 1.2837 0.1669 0.5806 0.1669 1.4021 1.0609 2.4995 1.8719 0.9391 4.913 0.8478 6.1755 1-palmitoyl-2-alpha-linolenoyl-GPC (16:0/18:3n3) 0.8424 1.9439 0.6483 0.9782 0.8294 1.044 1.7157 0.891 0.5058 0.6484 0.6737 0.3698 0.7957 1.0191 0.8102 0.8407 1.6385 0.9809 1.1825 1.9094 0.8363 4.6657 0.6955 1.0451 2.9265 4.843 4.2115 4.1866 9.2484 1.4212 6.1525 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4) 0.9432 1.8528 0.7854 0.8133 1.0568 1.0758 1.7625 0.9079 0.7506 0.5762 0.5614 0.3728 0.9004 1.2165 0.6079 0.7622 1.1284 0.432 0.7057 1.1834 0.5005 8.5697 0.4944 1.3239 2.2225 3.1935 3.2464 2.8442 6.1306 1.4111 5.4733 1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4) 1.0126 2.2249 0.7176 0.9229 1.0768 0.9874 1.9023 0.9169 0.641 0.7341 0.7466 0.6577 0.9821 1.3283 0.8305 1.4793 1.248 0.3591 0.64 0.9079 0.7161 5.741 0.4996 1.1785 2.0325 3.3113 3.1235 2.1011 6.2581 0.9511 4.8558 1-palmitoyl-2-linoleoyl-digalactosylglycerol (16:0/18:2) 0.6664 0.6795 1.2487 1.1067 1.06 1.2875 0.8555 0.9278 1.2141 1.0112 0.4988 0.6128 1.0202 0.9186 0.9746 0.9206 1.9627 2.0832 1.8102 0.9465 2.1042 1.5703 2.2248 2.0106 0.9888 0.6594 0.8653 1.0927 0.2184 1.2309 0.233 1-palmitoyl-2-linoleoyl-galactosylglycerol (16:0/18:2) 0.3673 0.7013 0.5554 0.6751 0.5357 0.5656 0.9559 0.6428 0.7156 0.5827 0.3559 0.3587 0.4772 0.464 0.5268 1.0107 1.3202 1.8413 1.3671 0.9893 1.9302 1.9034 1.8849 2.1033 1.4574 1.7525 2.0088 1.8507 2.5804 1.177 1.2457 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) 0.9154 2.277 0.8525 0.9407 1.0593 1.1329 1.6196 0.8513 0.7831 0.7325 0.6474 0.3916 1.0804 0.8725 0.7262 0.8902 1.3265 0.5839 0.7364 1.5711 0.5889 4.2428 0.5583 1.34 2.3914 3.7438 3.6741 3.101 6.6789 1.5346 4.8509 1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) 0.8282 1.6784 0.8011 0.9176 0.9918 0.9014 1.2468 1.0082 0.7041 0.8905 0.8044 0.5628 1.2818 1.1409 0.8626 3.3768 1.1493 0.5874 0.7185 0.9043 0.7364 2.4009 0.5365 2.1297 1.8082 2.7611 2.2793 1.6977 4.9181 0.7872 4.3969 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) 0.8669 2.3665 0.6952 0.6123 0.7435 0.9606 1.9589 0.7648 0.6369 0.6401 0.6285 0.4175 1.1601 0.8237 0.6937 1.0394 1.7463 0.4746 0.8744 1.9412 0.4159 3.5849 0.6493 2.572 2.8411 6.0958 5.2384 3.5873 9.3754 1.7821 9.1789 1-palmitoyl-2-oleoyl-GPE (16:0/18:1) 0.854 2.1776 0.6525 0.7691 0.741 0.8742 1.9522 0.8873 0.3768 0.74 0.811 0.5826 0.791 1 0.6789 1.8435 1.5781 0.3768 0.8862 1.2982 0.5473 2.9387 0.6699 2.316 2.7149 5.6444 4.8162 2.7044 9.7205 1.2283 9.3651 1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1) 0.8107 2.6495 0.5016 0.5089 0.7018 1.0454 2.6272 0.7452 0.5208 0.5539 0.6551 0.3736 0.8713 0.8975 0.583 1.0457 2.1746 0.4803 0.9546 2.0224 0.4323 6.045 0.7461 2.6394 3.5289 7.4012 6.5411 3.7453 11.7653 1.7103 15.1563 1-palmitoyl-2-stearoyl-GPC (16:0/18:0) 0.8458 1.6006 0.6898 0.8058 1.1443 1.437 1.61 0.8315 0.7156 0.7267 0.4896 0.3838 1 1.1565 0.6333 1.1246 0.934 0.5267 0.7239 1.1343 0.8326 7.2255 0.4033 2.9427 0.3838 4.079 3.7387 2.3736 9.683 2.0514 9.8701 1-palmitoylglycerol (16:0) 0.591 0.7796 0.8947 1.2209 1.4585 0.809 0.8211 0.8678 0.674 0.4768 0.6663 0.3941 1.3587 1.0209 0.6213 0.833 0.9995 0.9302 1.2707 1.9914 0.8757 1.4033 0.6355 2.0405 3.01 3.1911 1.9367 1.7923 7.7248 1.5096 2.97 1-palmitoyl-GPA (16:0) 0.3401 1.497 0.3401 0.4974 0.4617 0.3401 0.4925 0.3401 0.3401 0.4038 0.3671 0.3401 0.748 0.3911 0.3401 0.5153 0.3401 0.3401 0.3401 1.5547 0.3401 0.4784 0.5572 3.5796 1.5603 3.4811 1.252 3.2195 6.4341 2.4123 2.8115 1-palmitoyl-GPC (16:0) 0.957 0.9753 0.7327 0.6687 1.1828 1.0689 1.2291 0.3613 0.4779 0.3304 0.3364 0.2076 0.4771 0.5796 0.5271 0.8409 1.0494 1.4318 0.8268 2.8163 0.4062 2.6018 0.5572 2.0483 3.1288 5.443 4.4136 3.14 12.1694 2.5432 10.7405 1-palmitoyl-GPE (16:0) 0.8572 0.8712 0.5692 0.6726 1.0472 0.9408 1.1276 0.4226 0.5568 0.3599 0.3721 0.2142 0.8162 0.6957 0.5746 1.8197 1.1659 1.5581 0.9528 2.3167 0.4784 2.1679 0.7014 8.393 1.8623 3.7426 2.4017 1.7237 7.9873 1.5285 8.82 1-palmitoyl-GPG (16:0) 0.1925 0.1925 0.2703 0.1925 0.1925 0.1925 0.3183 0.1925 0.1925 0.1925 0.1925 0.1925 0.1925 0.1925 0.1925 0.3484 0.3298 0.4251 0.1925 2.7008 0.1925 0.6891 0.3046 2.5575 1.0573 5.9072 2.615 2.1446 12.6605 0.9427 6.468 1-palmitoyl-GPI (16:0) 0.5078 0.2477 0.9417 1.026 1.0275 1.0045 1.4139 0.2155 0.1601 0.3964 0.3021 0.2531 0.7422 0.9955 0.4797 1.5507 0.7959 1.9535 0.8498 3.32 0.4025 0.9388 0.5431 2.3402 2.0628 7.5159 2.8144 3.9803 18.0615 1.9268 6.7681 1-palmitoyl-GPS (16:0) 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 1.1271 0.2688 0.4681 3.6171 0.2688 1.0129 1-pentadecanoylglycerol (15:0) 0.504 1.1749 0.8196 0.7939 1.0377 0.7042 0.8348 0.7652 0.6066 0.459 0.6863 0.7971 8.7814 0.6857 0.5752 8.533 0.459 1 1.0126 1.4107 0.7879 0.9312 0.74 78.008 1.6922 1.9441 1.6983 1.0774 3.3334 1.1763 2.4976 1-stearoyl-2-arachidonoyl-GPC (18:0/20:4) 1.0953 1.833 0.835 0.8891 1.0653 1.0749 1.4455 0.8409 0.743 0.6169 0.4725 0.348 1.0886 0.9762 0.5667 0.7517 0.8396 0.3291 0.5888 1.0238 0.5514 8.5738 0.4403 1.4681 2.2807 3.5183 3.2471 2.7037 6.2282 1.3206 4.5554 1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) 1.1322 1.7652 0.8812 1.2347 1.2879 1.0602 1.3711 1.0526 0.8472 0.9164 0.7972 0.7062 0.9199 1.2087 0.7742 1.0459 0.9541 0.4274 0.7079 0.7866 0.7145 4.9031 0.5718 0.8524 1.2938 2.1215 2.0889 1.701 3.668 0.7353 2.1489 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) 1.1314 1.4715 0.6779 0.5869 0.8725 1.2371 1.2773 0.7711 0.7185 0.8929 0.5359 0.5968 1.0316 0.9684 0.7082 0.9523 0.7737 0.5359 0.7412 1.3499 0.7066 4.1861 0.5881 1.1742 1.5384 2.6145 3.5235 2.2345 4.0809 1.2002 4.552 1-stearoyl-2-linoleoyl-GPC (18:0/18:2) 0.9373 1.9759 0.8745 0.9576 1.0424 1.0769 1.4088 0.7466 0.7308 0.7194 0.5477 0.3817 1.1 0.7715 0.6505 0.9432 1.1042 0.4356 0.6965 1.3431 0.5833 3.9279 0.5342 1.5016 2.0197 3.6615 3.409 2.6244 6.0975 1.3565 4.2181 1-stearoyl-2-linoleoyl-GPE (18:0/18:2) 0.9565 1.9264 0.9857 1.3308 1.2612 1.1164 1.4137 1.0143 0.8419 0.9841 0.787 0.6528 0.9844 1.0777 0.8515 1.1084 1.1485 0.5724 0.7312 0.9178 0.8792 2.9649 0.6074 0.9225 1.4823 2.5212 2.543 1.8511 4.5963 0.8383 2.8602 1-stearoyl-2-oleoyl-GPC (18:0/18:1) 0.91 2.1016 0.8222 0.7113 0.7922 1.0189 1.805 0.7747 0.6859 0.674 0.595 0.4561 1.2287 0.717 0.6071 0.9811 1.4548 0.3994 0.9034 1.8133 0.4517 4.2757 0.6447 2.6902 2.9623 7.7004 6.3014 3.9356 12.3026 1.8403 11.4735 1-stearoyl-2-oleoyl-GPE (18:0/18:1) 0.9789 2.1357 0.8502 0.9098 0.8767 0.9153 1.7865 1.0211 0.6385 0.7656 0.7623 0.6178 1.0509 0.7968 0.7039 0.9062 1.286 0.4374 0.9238 1.5184 0.5355 2.5942 0.6943 1.335 2.174 4.9016 4.5587 3.0396 7.6004 1.363 4.7956 1-stearoyl-2-oleoyl-GPS (18:0/18:1) 0.8935 1.7132 1.1374 0.9881 0.9045 0.7765 1.2281 1.0729 1.0119 0.9683 0.9484 0.7724 1.0424 0.8575 0.9359 0.8486 1.1528 0.499 0.8767 0.7532 0.5581 2.5134 0.5981 1.1234 1.4939 2.616 2.7219 2.3116 4.0142 1.3297 1.3055 1-stearoyl-GPA (18:0) 0.3425 1 0.5671 0.3505 0.3425 0.3425 0.3425 0.3425 0.3425 0.3425 0.5039 0.3425 0.9041 0.3425 0.3425 0.3425 0.3425 0.3425 0.3425 0.3425 0.3425 0.3425 0.3425 2.8045 0.6573 2.9309 1.1609 1.5291 5.4957 1.0863 0.8778 1-stearoyl-GPC (18:0) 0.9076 1.1521 0.8037 1.0623 1.3167 1.6744 1.1822 0.4229 0.5039 0.3578 0.3047 0.1802 0.6396 0.4467 0.33 0.8914 0.8232 0.9377 0.7044 3.3516 0.8657 2.847 0.5035 2.3105 4.411 7.1763 7.6529 5.2886 12.8172 4.8273 8.1965 1-stearoyl-GPE (18:0) 0.954 1.3498 0.9054 1.2898 1.2253 1.7708 1.2385 0.4077 0.4982 0.3629 0.3633 0.2225 0.7316 0.4149 0.3309 0.9363 0.7999 0.9396 0.754 2.7495 1.046 2.4903 0.6722 2.7015 1.554 3.7357 3.1129 2.3487 7.9142 1.5003 6.3049 1-stearoyl-GPG (18:0) 0.4238 0.4524 1.195 0.4429 1.1756 1 0.5482 0.1836 0.6617 1.2637 0.1836 0.1836 0.264 0.4549 0.8047 0.9883 1.6532 0.7272 0.1836 2.3869 0.5713 0.6138 0.45 2.411 1.1713 3.8136 2.4636 3.0935 7.2976 1.1405 2.8118 1-stearoyl-GPI (18:0) 0.8388 0.6811 0.9076 0.843 0.8064 1.3654 1.3373 0.1411 0.3195 0.7983 0.5721 0.506 2.2294 1.0186 0.3569 1.2865 0.7894 1.0207 0.3268 2.2957 0.4249 0.9814 0.8485 5.7588 2.2817 8.6302 3.4637 5.3558 11.8077 4.059 3.6477 1-stearoyl-GPS (18:0) 0.7193 0.9657 1.0343 0.8198 0.8863 1.5438 1.5155 0.2116 0.2822 0.45 0.5161 0.3588 2.6251 0.5925 0.3154 1.2164 0.7463 0.5861 0.4302 3.9418 0.4641 1.7402 0.7631 7.3676 2.3058 11.7675 5.0096 5.7125 23.3793 2.9412 5.0178 2-docosahexaenoylglycerol (22:6) 0.198 0.918 0.5102 0.6818 1.1049 0.5351 0.5304 1.3588 0.198 0.6044 0.2387 0.198 1.2708 0.4133 0.198 0.675 0.5354 0.198 0.763 1.082 0.198 1.894 0.5146 2.2819 2.4822 1.6896 2.0686 1.1736 3.9641 1.1372 2.4535 2-hydroxydecanoate 0.7594 0.5605 0.5605 1.0077 1.0086 0.702 0.8575 0.6674 0.6774 1.0359 0.5605 0.9636 0.5605 1.0046 0.5605 0.6968 0.8966 1.2792 0.7048 0.7501 0.9424 1.1093 0.9954 0.8784 1.2999 1.2638 1.2633 1.6804 1.3883 1.0722 2.7877 2-hydroxyglutarate 0.1391 0.2019 0.1453 0.1263 0.5138 0.1593 0.2911 0.348 0.2882 0.3855 0.2237 0.5037 6.3706 0.7045 0.3914 10.7859 1.3587 0.7994 2.287 1.2006 1.9641 1.5361 1.9742 28.3415 1.8353 1.9178 2.1221 2.5464 1.696 1.5927 0.3914 2-hydroxypalmitate 0.7104 1.2068 0.5184 0.9281 1.5166 1.1045 1.0451 0.4428 0.5868 0.5593 0.48 0.2707 1.1931 0.9549 0.4564 0.5435 0.5218 0.5717 0.8696 1.7838 1.0726 0.7584 0.9144 2.3555 1.846 1.7161 2.4577 1.9232 2.3013 1.208 3.6108 2-hydroxystearate 0.7709 1.028 0.6559 0.9228 1.0663 1.0148 0.8724 0.4841 0.7423 0.5362 0.5074 0.3342 1.3586 0.7697 0.4172 0.6788 0.7669 0.6401 1.0046 1.7141 1.0507 0.9954 0.7144 3.1758 1.6545 2.1106 2.6722 2.1053 2.9663 1.6381 3.1211 2-linoleoylglycerol (18:2) 0.4273 0.9405 1.2666 1.3602 1.2341 0.6258 0.5319 1.7767 1.0317 0.5173 0.5063 0.374 2.4748 1.1082 0.8383 0.8574 0.9683 0.8905 2.8959 1.1666 0.7359 1.9207 0.8057 0.3033 2.7721 1.5444 1.5847 1.4108 9.9086 0.7029 1.3728 2-myristoylglycerol (14:0) 0.4555 0.6871 1.031 0.564 0.6767 0.5559 0.4578 1.3772 0.4555 0.7005 0.4555 0.7563 1.8907 1.0115 0.7289 1.3709 1.039 0.8917 1.9533 1.4279 0.9303 1 0.8011 13.0128 2.4068 1.6543 1.1684 0.6062 5.583 0.6457 1.3152 2-oleoylglycerol (18:1) 1.7455 0.9755 1.0301 1 2.0963 0.8921 0.6599 2.392 0.792 0.6758 0.3431 0.3431 8.5306 0.9741 0.8019 0.6495 0.8614 0.575 1.8124 1.1339 0.7791 1.6803 0.3753 5.3711 3.1245 2.0965 1.5906 4.3015 6.3934 4.636 0.9555 2-palmitoleoylglycerol (16:1) 0.5808 0.5808 0.8219 0.5808 9.3182 0.5808 0.5808 0.5808 0.5808 0.8433 0.5808 0.5808 1.0723 1.287 0.5808 0.757 0.8778 0.9277 0.5808 0.6208 0.5808 0.5808 0.5808 0.5808 2.0257 2.0674 1.49 0.5808 8.7342 0.6776 2.4288 2-palmitoylglycerol (16:0) 0.4071 0.7273 1.1859 1.4078 1.3716 0.6452 0.7818 1.1629 0.9728 0.4621 0.9067 0.475 2.1248 0.7945 0.6494 0.711 1.2358 0.6927 1.4585 1.2246 0.5147 1.2318 0.4305 2.0682 2.2995 2.0989 1.0039 0.9961 6.6639 2.0616 0.9518 2-palmitoyl-GPC (16:0) 0.6324 0.7045 0.2196 0.2196 0.8814 0.2196 0.9613 0.7196 0.5851 0.2196 0.2196 0.3474 0.2398 0.2196 0.2196 0.2196 0.2196 0.2196 0.2196 2.6366 0.2196 0.6904 0.2196 3.3829 1.0387 3.1069 3.7537 2.8392 6.8533 2.2094 4.5686 2-stearoyl-GPE (18:0) 0.7109 0.6899 1.0788 0.9796 0.8045 1.4411 1.572 0.2562 0.2562 0.5602 0.2562 0.265 1.4585 0.4795 0.2562 0.7348 0.3379 0.34 0.4426 2.5584 0.7781 1.311 0.565 4.63 1.4134 5.1369 3.7578 2.9079 10.5978 1.2188 5.5877 3-carboxyadipate 0.8103 1.0602 0.9101 1.1528 1.2114 1.0263 1.533 1.7144 0.8094 1.3891 0.8125 1.1666 0.7728 1.0104 0.8819 0.8596 1.5361 1.5386 1.3271 0.7145 1 0.9228 1.6104 1.1181 0.7198 0.49 0.7903 0.9749 0.3393 0.7546 0.3393 3-dehydrocholate 0.9327 0.77 0.3442 1.1482 0.6408 0.2088 4.6632 0.4439 0.5129 0.5348 0.2088 1.5771 1.0673 0.2088 0.2088 15.9474 2.9488 0.8911 1.4803 0.2088 3.849 4.6888 8.6526 0.8407 0.2088 0.2088 0.2088 0.2088 0.2088 0.4038 0.2088 3-hydroxy-3-methylglutarate 0.558 0.8723 0.8007 0.5992 0.9024 0.7558 1.0306 0.7721 0.9961 0.8418 0.9083 0.9646 6.1471 1.2079 0.6155 19.688 0.6718 0.8325 1.1631 2.1037 1.0039 1.5393 0.8317 27.697 3.0125 3.5238 3.4342 4.2791 3.8276 2.8181 0.8281 3-hydroxybutyrate (BHBA) 0.4045 1.9201 0.6215 1.0903 1.8144 0.7363 1 0.3625 0.0946 0.2512 0.2112 0.0946 0.5088 0.0946 0.0946 1.8338 0.68 0.6603 0.7764 1.369 0.9153 1.1222 1.033 11.5249 2.0852 4.2269 2.1748 3.8723 3.0946 1.4371 0.8627 3-hydroxydecanoate 1.0556 0.7752 1.1667 0.8481 0.7198 0.9761 1.236 0.8698 0.8107 1.1227 1.0239 1.1192 1.8785 1.1133 0.9355 2.0557 1.4951 1.4815 0.8184 0.8537 0.7126 0.6767 0.8051 1.7142 0.9027 1.2453 0.8504 0.8483 1.1982 0.8005 1.3405 3-hydroxyhexanoate 0.6545 0.0648 0.246 0.0648 0.0648 0.2141 0.4098 0.2142 0.0648 0.11 0.1754 0.0648 0.0648 0.2526 0.2339 0.3629 0.9821 0.8477 2.3169 7.3482 1.27 1.5308 1.7489 2.6959 13.1803 15.5567 12.7501 16.1582 14.802 7.4732 8.6213 3-hydroxylaurate 1.0733 0.6128 1.1281 0.8931 0.711 0.867 1.2172 0.6651 0.8088 0.9021 0.7456 1.0183 0.5867 1.0958 0.6845 1.2925 0.9928 0.934 0.9095 1.1179 0.8149 0.6583 1.0462 2.2797 1.4703 1.4348 1.0072 0.9576 1.4914 1.0784 3.3131 3-hydroxyoctanoate 1.4853 0.7358 0.7371 0.75 0.653 0.6943 1.121 0.5665 0.6435 0.5551 0.7776 0.5551 0.7513 0.8689 0.5551 0.8548 0.879 1.2394 0.5551 1.2406 1.2612 0.7338 0.5551 2.1136 1.9963 2.2496 1.245 2.3109 2.2557 1.4045 2.0267 3-hydroxypalmitate 0.5713 0.7817 0.9146 0.809 1.4854 0.9987 0.5562 0.8394 1.0051 0.5294 0.8174 0.4622 1.903 1.0013 0.854 2.4865 1.5117 0.7479 1.0574 1.9574 0.5999 0.8525 0.7905 38.9049 1.7573 1.4487 1.4556 1.7042 1.6592 0.9749 3.0569 3-hydroxysebacate 0.929 0.9852 1.1632 1.1799 0.8231 1.2025 1.3001 1.308 1.2135 1.2659 0.7542 1.0539 1.2869 0.9703 0.7754 1.0006 0.9555 0.6269 1.2295 0.692 1.0056 1.3094 1.0163 1 0.6686 0.4567 0.7573 0.7028 0.7577 0.7587 0.4567 3-ketosphinganine 1.1324 1.6217 0.5204 0.5204 0.5204 0.5204 1.0711 0.6197 0.5726 0.5204 0.9383 0.5204 125.0837 0.7521 0.5204 120.9221 0.6066 0.8222 1.3165 0.5204 0.5204 0.5204 1.0617 261.5148 0.665 0.5204 1.1963 0.916 0.5204 0.6302 0.5204 4-cholesten-3-one 1.3869 1.6704 0.999 0.7038 0.7222 0.8133 1.2843 2.5224 0.9885 1.001 1.5567 1.5943 1.4786 0.5351 0.896 1.9747 1.7701 0.6967 1.169 0.8189 0.8652 0.8135 1.0724 2.0708 0.6959 1.2741 1.3903 0.8853 0.571 0.7247 0.3605 4-hydroxybutyrate (GHB) 0.6118 0.6118 0.6118 0.6118 0.6118 0.6118 0.6118 0.6118 0.6118 0.6118 0.6118 0.6118 0.6118 0.6118 0.6118 6.0329 0.9185 0.6118 0.6118 0.6118 0.6118 0.6118 0.6118 11.1533 1.0815 0.6118 0.6118 0.6118 0.6118 0.6118 0.6118 5-dodecenoate (12:1n7) 0.8731 0.5535 0.9227 0.5219 1.1326 4.7135 0.9621 0.8095 2.452 2.0787 0.7275 0.9826 0.6711 0.8151 0.8891 1.4546 0.8441 11.4852 0.9009 1.6072 0.9603 0.8705 0.8876 1.0174 36.3358 1.3035 1.1934 11.9036 10.099 1.1421 2.4216 7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) 0.7657 0.9291 0.3812 0.4364 0.4234 0.3652 1.8443 1.2287 0.9549 0.9734 1.2684 2.2245 0.3431 0.4414 1.1705 1.1938 1.3369 2.2641 2.1404 2.0475 0.8577 0.887 3.2137 2.0874 1.1911 2.0394 0.9812 0.599 0.7856 1.0312 1.0188 7-ketodeoxycholate 0.2939 0.2743 0.048 0.546 0.1228 0.0498 1.6099 0.1724 0.3707 0.0417 0.0417 0.2658 9.3965 0.0417 0.0475 46.6804 4.7332 2.483 3.1002 0.7846 5.8828 5.8253 10.6735 12.0038 1.4408 1.3464 1.1556 0.2467 0.8444 2.028 0.1521 9,10-DiHOME 0.838 0.7224 0.8749 0.7921 0.7036 0.6666 1.216 0.8638 1.1271 1.0785 0.9998 1.1028 1.0096 0.8522 1 1.6343 0.7292 1.0587 1.2131 0.861 0.6514 0.9376 1.0096 2.393 1.0046 1.5513 0.4351 0.4351 1.9234 0.9496 2.8343 acetylcarnitine 1.0159 1.7493 0.6211 0.8473 1.3592 1.3915 2.0749 1.0111 0.6653 0.8089 0.7649 0.6403 0.0545 0.9946 0.6071 0.3777 0.9922 0.7473 0.9877 2.2765 1.0054 2.2523 0.7216 0.2466 3.6672 5.1919 3.8729 6.2816 10.7763 2.8859 3.9064 adrenate (22:4n6) 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.8171 0.2696 0.2696 0.2696 2.3006 0.5072 0.6005 0.7885 1.2415 2.1316 0.2696 1.1829 alpha-muricholate 0.2353 0.2353 0.2353 0.2856 0.2353 0.2353 1.2189 0.2353 0.2353 0.2353 0.2353 0.2353 8.0099 0.2353 0.2353 139.9757 1.4385 0.8504 1 0.4033 1.4141 1.8218 2.9639 11.582 0.9134 0.8611 0.6942 0.2353 0.3495 0.7631 0.2353 arachidate (20:0) 0.6848 0.6649 0.8162 1.0039 1.2855 1.0508 0.7682 0.7871 0.8155 0.7668 0.8063 0.483 1.2994 0.9961 0.6348 0.6431 0.6637 0.7602 1.085 1.9026 1.0195 0.9275 0.8165 2.2592 2.2015 2.0173 2.2497 2.2406 3.9835 1.7402 2.8405 arachidonate (20:4n6) 0.4382 0.9942 0.2958 0.534 1.3851 1.0357 1.0058 0.3151 0.3784 0.1336 0.1778 0.068 1.8309 0.3799 0.1437 0.6278 0.3679 0.6219 0.94 7.1365 1.1664 2.6787 0.7366 26.5094 8.0105 13.1932 14.1694 12.9823 28.5534 5.8777 18.4102 azelate (nonanedioate) 0.7498 0.5642 0.7263 1.0684 1.0006 0.9994 1.0774 1.2338 0.9551 1.5871 1.2222 1.1524 0.5555 1.1674 1.537 0.6577 1.0421 1.2916 1.3962 0.7527 1.5802 1.3985 1.3257 0.4694 0.4999 0.4413 0.4567 0.6916 0.4219 0.8698 0.2777 behenate (22:0) 0.7269 0.841 0.7811 1.0038 1.2026 1.1403 0.8579 0.9089 0.8504 0.7627 0.6306 0.4397 1.4977 0.8785 0.7176 0.7173 0.6346 0.6633 1.0567 1.6674 1.034 0.9962 0.8918 2.9928 1.913 2.3052 2.5719 2.2728 3.6028 1.8679 2.6773 beta-muricholate 0.531 0.6366 0.351 1.0577 0.5216 0.4466 2.25 0.4038 0.4634 0.3208 0.2966 0.6916 16.5545 0.2524 0.2782 255.8623 2.1365 2.4131 1.9948 1.5841 2.4959 2.7602 3.8269 26.8585 1.7677 1.2115 0.8711 0.9423 0.8474 1.3893 0.2482 beta-sitosterol 0.9333 0.8447 1.2385 1.015 0.8929 0.9847 0.9371 0.985 1.2895 1.0793 0.8063 0.7771 1.0197 0.7144 1.1266 1.4167 1.0721 0.8404 0.8551 0.9734 0.8028 0.9253 0.9493 1.5392 1.4385 1.3307 1.1904 1.24 1.0794 1.1216 0.4387 butyrylcarnitine 0.3305 0.6067 0.4758 0.2811 0.2811 0.6666 0.9627 0.2811 0.2811 0.72 0.2923 0.2811 0.2811 0.2811 0.2811 1.4798 1.9464 0.821 1 5.4653 0.582 3.1959 0.4568 0.3759 9.9081 11.1028 12.9502 16.1874 13.0995 5.2348 6.3382 butyrylglycine 0.5059 0.3285 0.3285 0.3285 0.3285 0.3285 0.3285 0.3285 0.3285 0.3285 0.3285 0.3285 0.55 0.3285 0.3285 0.71 0.3285 0.7912 0.3285 0.3285 0.3285 0.3285 0.3285 2.6703 0.3285 1.7691 1.2088 1.2333 1.5062 0.3285 0.6991 campesterol 1.0614 0.9575 1.0352 0.9343 0.8776 1.0775 0.7999 0.9704 1.1018 1.0593 0.7116 0.7094 1.0355 0.796 0.9754 1.3829 1.0757 0.9699 0.9104 1.1808 0.8469 1.1622 0.7153 1.5698 1.2429 1.4088 1.0246 1.2084 0.9044 0.9487 0.4063 caprate (10:0) 0.8891 0.7946 0.7527 0.6875 0.8102 1.8818 0.6611 0.8608 1.2288 1.2886 0.6672 0.6927 0.4276 0.8337 0.7537 1.0321 0.7174 3.7845 0.9679 1.3243 0.963 0.7423 1.0399 1.4954 10.3441 1.5605 1.1914 3.7857 3.6845 1.2063 1.4286 caproate (6:0) 0.7523 0.6056 0.6056 0.9646 0.6056 0.6056 0.8609 0.6056 0.6056 0.6883 0.6056 0.6056 0.6056 0.6056 0.6608 0.6056 0.6056 0.6056 0.6056 0.6056 0.6056 1.105 0.6056 0.6056 0.6779 2.263 1.8207 4.1152 1.2545 1.8504 0.6056 caprylate (8:0) 1.2096 0.7164 1.107 0.9496 0.7886 0.52 1.2937 0.52 0.7766 0.8673 1.0192 0.5533 1.3365 0.7671 1.1961 0.6901 0.9808 1.431 0.9704 1.2006 0.52 0.52 0.8278 0.52 2.3563 1.3884 2.298 1.4678 1.6603 0.8332 1.7131 carnitine 1.1669 1.4329 0.7059 0.9669 0.7324 0.5775 1.4902 0.9106 0.7597 0.5786 1.412 1.2549 0.0901 1.0314 0.3985 0.4811 0.9686 0.5225 0.7624 1.6303 0.9461 1.7913 0.7224 0.4676 2.6551 3.4966 3.514 3.5728 3.532 1.2658 2.4177 chenodeoxycholate 1.5406 1.0911 0.3772 0.8961 1.6801 0.185 3.9325 0.4174 0.185 0.3636 1.0596 1.0518 3.5558 0.7349 0.4745 43.0641 1.6069 0.7483 1.3015 0.9252 0.6804 0.7396 5.1796 3.7803 1.7899 1.5317 0.5639 0.3837 0.6879 0.9482 5.4042 chiro-inositol 0.3198 0.9167 0.8233 0.8476 0.8563 1.0728 1.1369 0.9013 1.1172 1.0616 0.4099 0.9875 4.8684 0.7367 0.892 1.406 1.8774 1.703 2.1349 1 1.8851 2.0452 2.1695 2.8247 1.1209 0.5407 0.8158 0.9124 0.1339 1.4364 0.0278 cholate 2.3218 2.7366 0.5258 2.5172 0.8724 0.3433 13.9943 0.3843 0.6103 0.2422 0.1501 1.3658 2.4101 0.144 0.1978 42.7189 4.7255 1.7349 2.1101 0.5841 3.6293 3.7043 15.9152 2.8709 0.6916 1.1276 0.5981 0.1439 0.7631 0.8078 0.3632 cholate sulfate 0.3151 0.483 1.713 1.8876 0.7571 1.8975 0.3809 0.499 3.7528 4.4931 0.2878 0.5657 4.2757 1.0443 4.5644 1.3344 0.2272 1.0736 0.2233 1.507 0.8043 0.7231 0.7895 3.9858 1.3725 0.233 0.1379 1 0.0815 1.7944 0.0815 cholesterol 0.694 1.1274 1.1817 1.0832 1.2458 0.8891 1.0282 0.5926 0.7658 0.714 0.787 0.4433 1.0056 0.5914 0.6061 0.6664 1.0919 0.5534 0.6081 0.8069 0.6947 1.3371 0.814 1.366 11.0023 1.9535 1.6494 1.9121 2.5976 1.5883 2.0162 choline 0.7267 0.7254 1.0359 0.5877 0.8824 1.7704 1.0122 1.0952 0.8538 1.2973 0.6549 0.6155 1.0846 0.7013 1.5272 0.5757 0.8188 1.4381 1.0516 1.0722 0.7862 0.9189 1.0325 0.9572 1.0795 0.9878 1.0158 1.3188 1.1522 1.5779 0.8577 choline phosphate 0.8563 1.4198 0.6549 0.5263 0.7436 0.9358 2.3207 0.8751 0.3607 1.1117 0.5587 0.6122 0.7584 2.0917 0.9904 3.4924 2.3476 0.616 0.6409 0.8611 0.4581 14.1133 0.5012 1.8055 1.0286 2.3749 1.5964 1.0159 3.4495 1.0096 5.8497 deoxycarnitine 0.8191 1.0516 0.7438 0.7875 0.7487 1.0008 1.2734 0.8596 0.616 0.6306 0.7125 0.6138 43.0686 0.6883 0.6242 23.9267 0.7872 0.8247 0.7721 1.5298 0.9992 1.9317 0.8356 63.1657 1.8483 2.6595 2.7479 2.5266 3.687 1.53 1.8113 deoxycholate 1.3491 0.5733 0.559 0.4371 1.1666 2.0265 0.4371 0.4371 0.4371 0.4371 0.6104 0.9713 0.4371 0.4371 0.6541 0.4371 0.4371 0.7637 0.4371 6.6517 0.4371 1.1204 0.4371 7.0731 0.4371 1.0287 0.4371 0.4371 0.6551 0.7892 4.1672 diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1]) 1.2172 0.6895 0.9632 1.0764 1.2997 0.9008 1.2084 1.2076 1.0063 0.9937 0.8862 0.8234 0.7796 2.1512 1.4162 1.1577 0.8137 1.0945 1.1844 0.4158 0.9089 1.0073 1.1354 0.3854 0.7837 0.7115 0.7061 0.8159 2.8634 0.3854 1.88 dihomo-linoleate (20:2n6) 0.4751 0.5865 0.5194 0.8429 1.585 0.9303 0.9356 0.4667 0.4033 0.3445 0.5117 0.2217 1.3534 1.0644 0.4073 0.6224 0.5186 0.8298 1.0909 2.6961 1.1903 1.0984 0.8101 6.4918 2.8927 2.7345 2.9009 2.5641 7.2045 1.4348 6.4184 dihomo-linolenate (20:3n3 or n6) 0.4779 0.9178 0.3459 0.7386 1.4314 1.0712 1.0378 0.2894 0.2803 0.1965 0.2154 0.0935 2.2474 0.5912 0.1969 0.6528 0.4715 0.7296 0.9622 4.4981 1.1808 2.0685 0.8207 27.0372 5.1137 8.3372 9.5062 7.3351 19.5394 3.6487 15.9933 docosadienoate (22:2n6) 0.5055 0.6843 0.6457 0.7858 1.3932 1.0417 0.8355 0.436 0.5863 0.4621 0.5413 0.1905 1.344 0.9583 0.398 0.5522 0.6017 0.7956 1.2083 2.3529 1.0636 1.2367 0.8157 4.6854 2.29 2.6917 2.7056 2.6391 5.6517 1.6226 5.0239 docosahexaenoate (DHA; 22:6n3) 0.5985 0.8191 0.3679 0.6561 1.4198 0.9995 0.8965 0.4694 0.4806 0.1743 0.2276 0.1028 1.9611 0.672 0.2281 0.7514 0.4331 0.7641 1.0382 5.9314 1.1447 2.1909 1.0005 33.633 8.8748 10.2184 10.7883 11.3949 24.0944 5.4393 21.7291 docosapentaenoate (n3 DPA; 22:5n3) 0.5914 0.6925 0.4747 0.7438 1.644 0.9569 1.0331 0.3594 0.4476 0.228 0.2262 0.2262 1.6918 0.8524 0.3703 0.5476 0.6149 0.884 1 3.7101 1.2149 1.8881 0.9443 21.6543 4.8104 5.6137 6.4858 4.993 11.1937 2.8863 12.7861 docosapentaenoate (n6 DPA; 22:5n6) 0.6142 0.5825 0.5379 0.664 1.2264 1.1242 0.8512 0.1442 0.4052 0.3633 0.1032 0.1032 1.3265 1.2998 0.4044 0.5393 0.5355 0.7485 0.9722 3.1324 1 1.4859 0.6661 13.7159 3.5422 4.412 4.5981 4.5665 10.8149 2.4708 10.6174 dodecanedioate 0.8307 0.5364 0.7526 0.8578 1.3224 0.8777 1.1129 0.5449 0.7719 1.0386 0.5364 0.5364 0.5364 0.5364 0.8956 1.4551 1.0155 1 0.6723 0.7473 0.9521 0.7979 1.079 2.0304 1.3519 0.5364 1.0617 1.2038 1.5742 0.8831 1.8531 eicosapentaenoate (EPA; 20:5n3) 0.6626 0.7888 0.4369 0.5718 1.2624 0.9384 1.0616 0.5853 0.7758 0.2764 0.2772 0.1452 1.345 0.5687 0.2994 0.5626 0.5809 0.8422 1.0685 5.8612 1.404 1.8891 0.8799 11.7258 6.3123 8.3384 8.046 7.0273 15.9913 3.4223 12.7854 eicosenoate (20:1) 0.5019 0.4836 0.5875 0.7892 1.5217 1.0141 0.7874 0.5343 0.5805 0.397 0.627 0.265 1.5333 1.2131 0.4755 0.5534 0.4965 0.7368 1.1082 2.3934 0.9859 1.016 0.7383 2.8788 2.0431 1.9912 2.0767 1.8634 5.0099 1.3065 3.5509 erucate (22:1n9) 0.6182 0.5452 0.6447 0.7909 1.4407 1.2914 0.6025 0.5218 0.6823 0.4785 0.882 0.2781 1.9493 1.073 0.5114 0.4817 0.5316 0.5897 1.3239 1.6624 1.0618 0.9382 0.6879 2.9314 1.7483 2.0899 2.4191 2.1968 3.9723 1.8361 3.864 glycerol 1.6108 0.6113 1.0998 1.3305 1.1222 0.8685 0.7257 0.5833 0.2904 1.1582 1.8444 1.3393 0.4014 0.6751 0.8285 0.3825 0.4985 0.69 0.9881 1.4503 0.6105 0.8974 0.6564 1.0119 1.4394 1.6322 1.5357 1.4316 2.0929 1.0846 0.9424 glycerol 3-phosphate 0.693 0.468 0.6435 0.8712 0.6724 1.088 1.1134 0.7899 0.8283 0.9074 0.5367 0.9311 0.4036 0.8622 0.7839 0.5469 1.2502 1.4168 0.8163 1.3935 0.9151 1.546 1.1289 1.0689 1.4338 2.7618 2.6343 2.7344 3.4781 1.8281 4.9369 glycerophosphoethanolamine 0.6472 0.4639 0.7399 0.8446 0.6685 0.8667 0.9082 0.6954 0.6586 0.9599 0.3865 1.0401 2.0859 0.5407 0.7992 3.7651 1.5645 1.6917 0.8572 1.3689 1.5775 1.7322 1.0979 4.6059 0.8897 3.1732 2.329 2.7174 5.3 1.2396 12.119 glycerophosphoglycerol 1.0079 0.4376 1.0199 1.1364 0.9921 0.7958 0.698 1.0314 1.4104 2.0025 0.5442 1.1216 0.4884 0.8245 1.7455 1.5203 1.5969 1.4531 0.7825 0.662 1.7481 1.2627 1.3419 0.7222 0.234 0.8707 0.8353 1.0838 1.3438 0.5439 0.695 glycerophosphoinositol 0.4386 0.3737 0.687 0.635 0.6749 0.71 0.6478 0.5431 0.4356 0.9903 0.3842 1.0826 1.5878 0.8773 0.88 1.5801 0.7466 1.3473 0.774 1.5641 1.3022 1.2022 1.0097 2.1467 1.0204 2.5458 2.2199 2.5144 3.1217 1.7093 1.3737 glycerophosphorylcholine (GPC) 0.5751 0.2829 0.4761 0.4406 0.5839 0.6491 0.5814 0.8413 0.3688 1.0462 0.2781 1.3981 0.7087 0.9609 1.0391 1.4186 1.7108 1.5873 0.7553 1.6101 1.3823 1.7286 0.684 1.53 0.5612 2.8116 2.6574 3.5633 3.6683 1.9663 6.1814 heptanoate (7:0) 1.3721 1.0239 1.7875 1.0269 0.4757 0.9746 1.3378 1.087 1.1683 2.159 1.4341 2.8631 1.4841 1.3543 1.4061 0.9761 1.6431 1.2561 0.8856 0.6571 0.5648 0.5671 0.8089 0.4533 0.5472 1.1493 0.7128 0.681 0.5786 0.8614 0.656 hexadecanedioate 0.6674 0.6732 0.6358 0.6481 0.6751 0.7286 0.9963 0.622 0.6889 0.4797 0.766 0.7939 0.7716 0.6228 0.676 1.0852 1.1814 1.2692 1.2308 1.2673 1.0037 0.8703 1.378 1.7575 1.4826 1.9263 1.8928 1.9517 2.1559 1.2139 2.5693 hexanoylcarnitine 0.724 1 0.5855 0.5384 0.5952 0.9602 0.926 0.4192 0.6174 0.4921 0.4332 0.3203 0.2404 0.4661 0.3504 0.2404 6.4664 4.4476 8.2711 7.9998 3.6382 8.9392 5.5531 0.2404 12.7546 9.4335 11.0032 16.5839 9.2773 10.4621 4.4078 hyocholate 0.5847 0.4834 0.2413 0.661 0.4787 0.2413 1.9859 0.2413 0.2413 0.2413 0.2413 0.2413 1.741 0.2413 0.2413 12.9835 1.7231 0.6719 1.1419 0.5269 2.4091 2.147 3.166 1.3312 1.1173 0.7963 0.8118 0.2413 0.2413 0.7391 0.8827 hyodeoxycholate 0.7298 0.6802 0.2852 0.6581 3.0128 0.2829 1.7999 0.3683 0.2829 0.2829 2.3048 0.3984 2.9887 1.5264 0.2829 19.8961 1.2154 0.922 0.8083 1.078 0.8106 0.8734 2.5232 4.1194 3.2157 1.1539 0.6381 0.2829 0.6777 0.8748 9.8159 isocaproate 0.1372 0.1372 0.1372 0.1372 0.1372 0.1372 0.1372 0.1372 0.1372 0.1372 0.1372 0.1372 0.1372 0.1372 0.1372 0.1372 0.1372 0.2679 0.5872 4.4504 0.696 0.5186 1 0.1866 8.2037 8.7173 9.7653 9.7479 6.108 6.0483 0.3397 linoleate (18:2n6) 0.4557 0.5355 0.4192 0.6655 1.9082 0.9094 0.9665 0.5676 0.6049 0.221 0.3838 0.1404 1.5242 0.868 0.3387 0.6923 0.4491 1.0335 1.2549 5.0078 1.6024 1.6052 0.9003 6.6262 5.4566 5.0946 5.2933 4.6899 13.7279 2.581 8.3278 linolenate [alpha or gamma; (18:3n3 or 6)] 0.4376 0.4917 0.3983 0.5534 1.463 0.8817 0.876 0.6299 0.7496 0.2499 0.4294 0.1209 1.1183 0.7244 0.3227 0.6766 0.5217 1.1262 1.2397 3.7019 1.5377 1.5026 0.8626 4.3293 5.3124 3.9739 3.4971 3.485 11.2579 1.9623 5.7906 linoleoyl ethanolamide 0.5645 0.926 0.4798 0.7333 1.1461 0.7925 0.9894 0.9727 0.4929 0.3676 0.3764 0.4355 0.9202 0.7771 0.7412 0.9769 0.7591 1.0106 1.5627 3.2977 1.402 1.488 1.9464 2.8623 2.6237 2.2534 2.5626 2.4964 2.4311 2.3871 1.5512 linoleoylcarnitine 0.7878 1.2705 0.1571 0.392 0.5304 0.8406 1.1594 0.3099 0.2596 0.1571 0.1571 0.1571 0.1571 0.1571 0.1571 0.4044 0.1571 0.2793 0.1571 1.98 0.1571 1.2138 0.1571 0.6992 4.7229 4.3153 4.2879 4.5927 17.786 3.2029 5.6424 linoleoyl-linolenoyl-glycerol (18:2/18:3) [1] 0.8831 0.4964 1.1273 1.1995 1.0473 0.5257 0.8359 0.972 1.0024 0.8623 0.8991 0.6761 1.0886 1.0267 1.2878 1.954 1.1057 0.9478 1.234 0.4964 0.6189 0.5784 0.4964 0.4964 0.9976 1.1219 0.9791 1.725 2.7209 0.8709 1.4517 linoleoyl-linolenoyl-glycerol (18:2/18:3) [2] 1.485 1.0591 1.1061 1.0604 1.0251 0.9816 1.2542 1.032 0.9468 0.7059 1.1728 0.7457 1.6179 1.246 1.2692 1.8371 1.0126 0.7469 1.3233 0.2767 0.9874 1.0245 0.8218 0.2112 0.6913 0.6246 0.6764 0.8089 2.6064 0.4961 0.8931 linoleoyl-linoleoyl-glycerol (18:2/18:2) [1] 0.7629 0.753 1.0565 0.7998 1.0041 0.6179 1.066 1.0841 1.6284 0.7377 0.7296 0.506 1.061 0.9441 1.0701 1.5915 0.9457 0.6668 1.0385 0.6316 0.9959 1.0934 0.7242 0.5703 1.1098 1.2828 1.5439 1.7435 4.9983 0.7847 2.9006 linoleoyl-linoleoyl-glycerol (18:2/18:2) [2] 1.3723 0.998 1.1707 1.1584 1.2248 0.8489 1.1814 1.0546 1.3552 0.5702 0.9579 0.8923 1.9699 1.4523 1.364 1.7219 0.9885 0.7271 1.4628 0.3564 1.002 1.0275 0.8917 0.2021 0.7546 0.7054 0.7515 0.5967 2.1458 0.3718 1.0336 maleate 1.4244 0.4714 0.4904 0.9481 0.8279 1.0238 0.9914 1.8773 1.2733 1.6717 1.0086 1.6915 0.3556 1.5924 1.3081 1.2287 0.9534 3.1671 1.32 1.1531 3.552 3.3267 1.5375 0.6867 0.7132 0.4458 0.7765 0.8085 0.6925 0.5237 0.3634 malonate 1.0221 0.8108 0.781 0.9592 1.0533 1.0916 1.0513 1.0713 0.9779 1.0431 1.0985 1.0902 0.3509 1.1815 1.0746 0.6167 1.035 1.2728 1.1983 0.7982 1.4157 1.2665 1.0645 0.5782 0.5916 0.4896 0.5253 0.6569 0.3668 0.938 0.1651 margarate (17:0) 0.7023 0.7074 0.7141 0.8808 1.2467 1.0177 0.9794 0.6242 0.6924 0.605 0.7811 0.4564 2.1413 0.9761 0.5422 1.0165 0.6089 0.7653 1.1202 2.1205 1.0625 0.9835 0.7726 8.8186 2.3401 2.2058 2.3868 2.1507 3.8935 1.4622 3.8729 mevalonate 0.7663 1.2255 1.3186 0.9744 0.6635 1.0699 1.023 1.34 1.4105 1.2957 0.6682 0.3541 1.9614 0.6917 1.2563 2.1889 1.3765 1.6386 1.7386 0.716 0.977 1.7558 2.0617 1.1914 0.3942 0.184 0.2036 0.4699 0.0653 0.7338 0.016 mevalonolactone 0.7646 1.1569 1.2866 0.8742 0.7069 1.156 0.8469 1.2374 1.3766 1.1213 0.6194 0.3325 1.7744 0.7605 1.0731 1.9172 1.4196 1.5998 1.6525 1.0029 0.9971 1.6334 1.596 1.3251 0.4821 0.1986 0.2879 0.5309 0.0902 0.7909 0.0264 myo-inositol 0.7769 1.3116 1.3281 1.7127 1.3144 1.1847 1.4249 1.0696 0.8131 1.4676 0.5919 2.0013 2.8286 1.3033 1.0859 2.3467 0.9256 0.8595 1.1136 0.7579 0.9304 1.3398 0.8457 2.1102 0.5822 0.5087 0.6347 0.5313 0.6287 0.6729 0.4191 myristate (14:0) 0.7472 0.67 0.7699 0.8314 1.478 1.0068 0.9929 0.9349 0.8957 0.6784 0.9171 0.5152 0.9932 1.3357 0.6362 0.8647 0.7763 0.9345 1.1525 2.2889 1.2721 1.0337 0.7852 4.4689 2.4538 2.2311 2.1351 2.078 4.0155 1.3196 4.1228 myristoleate (14:1n5) 0.9461 0.6342 0.9112 0.8261 0.7975 1.408 0.9364 0.4709 1.1369 1.1033 0.9521 0.5895 0.7249 1.0986 0.7178 0.6439 1.0638 3.4688 0.7735 1.487 0.7874 0.6871 0.694 1.0479 7.8618 1.2514 1.1254 3.0364 3.4567 1.091 2.6654 myristoleoylcarnitine 1.9166 3.119 0.8554 0.6982 0.8124 0.9097 2.1521 1.9373 0.9754 0.6207 0.922 0.4362 0.0695 0.4423 0.711 0.0695 2.0947 0.9439 1.3593 1.4098 0.6818 0.9496 1.6859 0.0695 2.8954 2.4769 3.0047 3.9699 2.3581 2.547 1.0246 myristoylcarnitine 1.7239 2.4782 0.7893 0.5788 0.76 0.9911 1.9118 1.4869 1.0984 0.7683 0.8409 0.4655 0.1532 0.4099 0.8425 0.4426 1.6509 0.8015 0.9609 1.4598 0.504 1.2861 1.0089 0.3097 2.7148 2.7642 3.6099 3.3243 3.6907 1.9775 1.5629 nervonate (24:1n9) 0.7 0.6441 0.7594 0.9882 1.0672 1.1606 0.7814 0.8447 0.758 0.6956 0.5679 0.3349 1.5351 0.8146 0.6429 0.7489 0.5848 0.7145 1.0529 1.6085 1.0118 0.9475 1.0527 2.6589 1.7839 1.8365 1.8923 2.1541 2.6288 1.6891 2.0322 N-oleoyltaurine 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.8183 0.1934 1 1.0278 0.5682 3.5918 0.1934 4.0833 nonadecanoate (19:0) 0.6498 0.7676 0.6858 1.095 1.3299 1.224 0.7436 0.6323 0.7499 0.745 0.7083 0.4868 1.3483 0.883 0.6235 0.6987 0.8246 0.6453 1.0759 1.8021 0.9855 1.0145 0.7482 2.9307 1.8712 1.7481 2.1695 1.834 3.0759 1.5867 2.3524 N-palmitoylglycine 0.3506 0.3506 0.3506 0.3506 1.2277 0.3506 0.4777 0.3506 0.3506 0.3506 0.3506 0.3506 0.5503 0.7043 0.3506 0.3506 0.3506 0.3506 0.3697 1.0681 0.3506 0.3506 0.3506 0.7509 0.3506 1.2964 1.2633 1.1442 1.3058 0.9319 3.2586 N-palmitoyl-sphinganine (d18:0/16:0) 1.0606 1.922 0.8353 0.9824 1.0176 1.2575 1.4935 0.8725 0.7633 0.7237 0.6837 0.5003 1.4844 0.6501 0.5784 0.4548 0.7433 0.4636 0.5878 1.4484 0.7236 1.297 0.4889 1.2652 1.858 3.6097 3.1958 2.6886 8.613 1.4514 6.8167 N-palmitoyl-sphingosine (d18:1/16:0) 0.9336 1.6412 1.0184 0.9126 0.9816 1.2518 1.5802 0.7433 0.8175 0.8081 0.5998 0.46 1.1699 0.8136 0.6908 0.8097 1.1113 0.6489 0.6937 1.4316 0.8453 4.359 0.5851 1.8819 1.5442 3.6418 3.0011 2.5737 6.7333 1.5863 6.9369 N-stearoyl-sphingosine (d18:1/18:0) 0.8139 1.3978 0.6509 0.3904 1.0344 1.6047 1.9818 0.2596 0.6688 0.3923 0.2596 0.2596 0.8963 1.1206 0.3578 0.6208 0.9656 0.3073 0.5258 0.7034 0.8016 14.734 0.3422 1.8042 1.6119 3.7211 2.9057 2.4775 6.4224 1.8899 5.6395 octanoylcarnitine 0.9213 1.3337 1.0043 0.9017 0.9051 1.4576 1 0.7571 1.2615 0.9181 0.5133 0.4644 0.1856 0.7074 0.5165 0.1856 1.4428 0.8508 1.1333 1.1462 0.8231 2.6036 0.8388 0.1856 2.2338 1.1664 1.4585 2.5799 1.5397 2.0799 0.6577 oleate/vaccenate (18:1) 0.5012 0.493 0.4916 0.7293 1.8553 0.8506 0.97 0.5199 0.4544 0.2997 0.5199 0.2264 1.3874 1.288 0.4258 0.6668 0.4761 0.8891 1.03 3.5241 1.1607 1.0735 0.8354 5.5369 3.3308 3.3719 3.3032 2.6435 8.056 1.6429 7.2585 oleoyl ethanolamide 0.5964 0.9119 0.6095 0.8195 0.9174 0.8943 0.9851 0.8665 0.5525 0.4166 0.6468 0.3955 1.5114 0.9395 0.5934 0.8904 1.0404 0.6966 1.428 2.078 1.0149 1.5191 1.087 3.5617 2.2933 2.9135 2.034 2.749 3.0102 2.2 2.6428 oleoylcarnitine 1.014 1.5799 0.2251 0.2289 0.5842 0.9769 1.3601 0.3506 0.1421 0.2255 0.2126 0.1421 0.206 0.986 0.1421 0.5844 2.6987 0.2073 0.6157 1.7977 0.2766 3.5479 0.2063 1.8596 4.1622 7.2529 5.6693 4.2217 23.353 2.9562 9.2071 oleoylcholine 0.4267 0.4267 0.4267 0.4267 0.7239 0.4267 1.2204 0.4267 0.4267 0.4267 0.4267 0.4267 0.4267 0.8028 0.4267 0.4267 0.4518 0.4267 0.4267 0.4267 0.4267 1.1991 0.4267 1 0.6019 3.9561 1.6677 1.3659 7.915 0.7522 13.487 oleoyl-linoleoyl-glycerol (18:1/18:2) [1] 0.7187 0.593 1.0587 0.7713 0.9734 0.6394 1.3822 1.138 1.4048 0.7341 0.8744 0.5376 1.1046 1.2003 1.1625 1.3554 1.0536 0.5476 1 0.3124 0.8542 0.7251 0.8416 0.1898 1.391 1.1495 1.0225 1.3789 4.1334 0.6635 3.0746 oleoyl-linoleoyl-glycerol (18:1/18:2) [2] 1.2718 0.9571 1.0433 1.0548 1.2914 0.828 1.3513 1.1461 1.1887 0.8411 1.0328 0.8098 2.0826 1.6845 1.2123 1.5891 0.9672 0.775 1.2695 0.4006 0.8892 1.0927 0.9059 0.2308 0.9326 0.6706 0.7523 0.6271 2.9154 0.4367 1.1735 palmitate (16:0) 0.6663 0.6534 0.7577 0.8436 1.5169 1.0184 0.9474 0.6079 0.6564 0.6006 0.8296 0.4444 1.1976 1.35 0.5449 0.6441 0.6632 0.8549 1.1021 2.3695 1.0485 0.9816 0.8087 2.211 2.2117 2.135 2.2425 2.1867 3.7245 1.6288 3.4997 palmitoleate (16:1n7) 0.5738 0.6199 0.4934 0.5943 1.7054 0.8754 1.0478 0.6426 0.6817 0.3633 0.4918 0.2312 0.9489 1.1241 0.4838 0.7451 0.6861 1.1739 0.9522 3.2789 1.1471 1.3335 0.911 6.941 5.7165 5.0865 4.7327 3.8854 10.2062 1.8974 11.037 palmitoleoylcarnitine 1.9756 2.8735 0.843 0.6985 0.7397 1 1.8088 1.1624 0.7637 0.427 0.5749 0.2823 0.2823 0.4526 0.5593 0.5864 1.8183 0.9961 0.7353 2.0396 0.6944 1.4567 1.2989 0.4499 4.8531 5.5305 6.4791 5.5062 9.9566 3.3808 4.0963 palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1] 0.9879 0.5195 0.8261 0.807 0.9286 0.8989 1.0121 1.0725 1.0903 1.0131 0.8865 0.7978 0.5823 1.3086 1.3855 0.7798 0.5336 0.7527 1.0914 0.7121 0.3946 1.3297 1.2239 0.3946 1.1683 1.1044 1.3352 1.1092 2.7551 0.7316 2.5903 palmitoyl dihydrosphingomyelin (d18:0/16:0) 1.1126 2.21 0.886 0.8731 0.9833 1.1489 1.3637 1.0167 0.8914 0.806 0.763 0.5354 1.6868 0.648 0.6567 0.7079 0.8575 0.4554 0.6468 1.5207 0.6678 1.8748 0.4964 1.9937 2.2914 3.5526 3.41 2.926 9.0971 1.6547 4.8411 palmitoyl ethanolamide 0.9109 0.8188 0.4906 0.5854 0.8179 0.9959 1.065 0.6482 0.5489 0.6306 0.8131 0.5828 0.9055 1.5847 0.5324 0.9641 1.745 1.0041 1.1244 1.4509 0.9311 2.3187 0.7692 1.7193 1.8951 2.9531 2.1394 2.2407 3.9056 1.7558 3.9894 palmitoyl sphingomyelin (d18:1/16:0) 0.9298 1.7447 0.9457 0.7861 0.9497 1.1675 1.3893 0.7974 0.8447 0.7617 0.5901 0.4485 1.3645 0.803 0.6795 1.0436 1.0632 0.5643 0.7351 1.8517 0.7248 5.166 0.53 3.3255 3.2567 5.9215 5.3682 4.124 12.0605 2.8848 8.2871 palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2] 1.0955 0.9653 0.9125 0.8394 0.2305 0.432 0.7767 1.26 1.1613 1.8783 0.9305 1.4077 1.0065 1.6193 1.6718 1.4858 1 0.372 0.5527 0.2305 1.2864 1.3547 0.9894 0.4035 0.2305 0.5361 0.2305 0.2305 2.2306 0.2305 1.461 palmitoylcarnitine 1.2136 2.1184 0.3726 0.5087 0.7284 1.1064 1.7259 0.6608 0.4505 0.3934 0.4089 0.2707 0.2532 0.8936 0.3068 0.6261 2.1604 0.2767 0.6456 1.4109 0.4051 4.6796 0.2215 1.8048 3.768 5.9271 4.8851 3.4325 18.5866 2.5884 8.6991 palmitoylcholine 0.6794 0.4879 0.6904 0.4879 0.8338 0.4879 1.2193 0.9009 0.7562 0.4905 0.5393 0.4879 0.4879 1.0698 0.9277 0.9119 1.0874 0.764 0.5256 1.4186 0.4879 1.0379 0.4879 1.7738 1.7472 4.9677 2.9582 2.2674 9.2665 2.151 17.5894 palmitoyl-linolenoyl-glycerol (16:0/18:3) [2] 1.2685 0.516 0.9445 1.061 0.9213 0.6023 1.3356 0.6649 0.5237 0.687 1.0705 0.5684 1.4764 1.3586 1.4147 1.9464 1.0607 0.516 1.4534 0.516 0.7913 0.516 0.8973 0.516 1 0.516 0.516 0.516 2.7682 0.516 0.6088 palmitoyl-linoleoyl-glycerol (16:0/18:2) [1] 0.5337 0.2046 1.0082 0.7464 0.9896 0.5735 1.7055 0.8344 1.0274 0.7441 0.4503 0.7866 1.1068 1 1.0327 1.803 1.5263 0.9419 0.6993 0.2046 0.9489 0.4684 1.407 0.2046 1.7518 1.0962 1.3176 1.7369 5.4424 0.2932 4.1589 palmitoyl-linoleoyl-glycerol (16:0/18:2) [2] 1.1403 0.9237 1.0381 1.0505 1.2739 0.7334 1.3505 1.0039 0.9286 0.8811 0.9632 0.8898 1.6137 1.5438 1.2559 1.4995 1.1338 0.8384 0.9961 0.3562 1.0608 1.115 1.2534 0.2441 0.9163 0.6379 0.5953 0.5983 2.7987 0.3615 1.1433 palmitoyl-oleoyl-glycerol (16:0/18:1) [2] 1.1705 0.9685 1.2003 1.2424 1.1857 0.9666 1.6935 1 1.0127 0.7498 0.8986 0.8001 1.292 1.5062 1.1638 1.4502 1.2954 0.8954 0.9591 0.3635 1.3397 0.9999 1.6446 0.111 0.7898 0.595 0.495 0.5166 2.8388 0.3001 1.3324 pentadecanoate (15:0) 0.7261 0.8744 0.7665 0.9298 1.1582 0.9648 0.8334 1.0231 0.9462 0.728 0.8355 0.5974 3.9516 1.038 0.6902 2.7533 0.7842 0.7192 0.9893 1.7142 0.9708 1.0107 0.8887 21.7194 1.7455 1.5662 1.7077 1.6756 2.5055 1.3043 2.5104 phytosphingosine 2.1899 2.7279 1.0044 1.5766 1.4316 1.5652 2.1309 0.9956 1.5313 0.8891 0.5049 0.5224 1.7648 0.5691 0.8702 1.7635 1.5983 0.8056 1.0514 0.7703 1.3097 1.3033 1.2085 1.6846 0.9831 0.7309 0.9382 0.7915 0.737 0.7577 0.1953 pinitol 0.8302 0.9932 0.9804 1.2216 0.9392 1.0442 1.048 1.0762 0.9545 1.0929 1.0068 1.1868 1.4006 0.875 1.0133 1.1335 1.2058 1.1315 1.2917 0.5862 1.2648 1.3144 1.3405 0.6947 0.4621 0.1953 0.3167 0.3725 0.0666 0.7035 0.0032 propionylcarnitine 1.1425 1.4613 0.9425 0.9158 0.9911 1.0562 1.5307 1.0444 0.8033 1.13 1.1041 1.0451 0.7849 1.2148 0.9959 1.1828 0.4892 0.5953 0.7112 0.9254 0.5057 0.8236 0.4652 0.547 1.673 1.3471 1.6402 2.6999 2.0358 0.9754 1.0041 sebacate (decanedioate) 0.809 0.6494 0.9345 0.888 0.7573 0.6672 1.136 1.0202 0.9282 1.1409 0.8417 1.2392 0.66 1.15 0.8044 0.7255 0.777 0.8137 0.966 0.8707 1.1916 1.0646 1.6174 1.2951 0.9798 1.7431 1.403 1.8905 1.5092 1.0343 1.1903 sphinganine 1.3788 1.7942 0.6145 1.0888 1.2092 1.2726 1.8576 0.5339 0.6667 0.4341 0.3968 0.2992 1.2046 0.4411 0.3592 0.6979 0.9641 0.5692 0.8723 0.9951 0.8804 1.0793 0.7682 1.8337 1.0098 1.2829 1.6143 1.1361 1.7063 0.8978 1.0049 sphingomyelin (d18:1/14:0, d16:1/16:0) 0.4851 0.6055 0.4083 0.4083 0.4083 0.9333 0.5238 0.4083 0.5413 0.4083 0.4083 0.4083 0.5755 0.5748 0.4083 0.4083 0.6704 0.4083 0.4083 1 0.4083 1.591 0.4083 1.6828 2.0721 3.2209 3.0325 2.5958 5.4839 1.3452 5.7429 sphingomyelin (d18:1/15:0, d16:1/17:0) 0.4162 1 0.4495 0.3816 0.5174 0.8431 0.5291 0.3816 0.5958 0.3816 0.3816 0.3816 0.9554 0.4058 0.3816 1.2627 0.3816 0.3816 0.3816 1.3969 0.5093 2.7521 0.3816 3.8476 2.6521 4.0461 4.0214 3.2313 6.1731 1.9068 3.7002 sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0) 0.1965 0.1965 0.1965 0.1965 0.1965 0.1965 0.1965 0.1965 0.1965 0.1965 0.1965 0.1965 0.1965 0.1965 0.1965 0.4502 0.1965 0.1965 0.1965 0.1965 0.1965 1.162 0.1965 1.4336 0.5196 1.3647 1.2112 0.838 2.7432 0.7188 1.4761 sphingomyelin (d18:1/20:0, d16:1/22:0) 0.276 0.6338 0.1977 0.1977 0.9327 0.7261 1.149 0.1977 0.1977 0.1977 0.1977 0.1977 0.1977 0.9348 0.1977 1.0652 0.6455 0.4252 0.1977 0.3329 0.4069 11.1552 0.1977 1.2057 2.7222 2.5569 2.2926 1.7938 6.4438 1.0758 3.204 sphingomyelin (d18:1/24:1, d18:2/24:0) 0.938 0.8308 0.6104 0.4119 1.7095 1.6029 1.8802 0.8953 0.4874 0.5081 0.5809 0.2306 0.5127 1.9949 0.4863 1.5682 0.773 0.7447 0.2306 3.2002 0.6786 16.3033 0.2493 11.4652 16.3453 14.2464 15.3977 12.8753 37.5563 13.008 14.8612 sphingomyelin (d18:2/16:0, d18:1/16:1) 0.0934 0.0934 0.0934 0.0934 0.0934 0.0934 0.0934 0.0934 0.0934 0.0934 0.0934 0.0934 0.0934 0.0934 0.0934 0.1158 0.0934 0.0934 0.0934 0.3049 0.0934 0.8749 0.0934 0.6219 1.2154 1.0704 1.2498 1.3998 2.0053 0.9296 1.6715 sphingomyelin (d18:2/24:1, d18:1/24:2) 0.0622 0.0622 0.0622 0.0622 0.1691 0.116 0.1828 0.0622 0.0622 0.0622 0.0622 0.0622 0.0622 0.1997 0.0622 0.1652 0.0622 0.0622 0.0622 0.4325 0.0862 1.8799 0.0622 1.6097 1.9233 1.8111 1.9204 1.5675 6.2154 1.6494 1.8676 sphingosine 1.1643 1.4949 0.6281 1.0686 1.1881 1.5128 1.3455 0.3606 0.9008 0.4118 0.291 0.1888 1.8016 0.3944 0.3252 0.6502 0.9188 0.6053 0.6599 0.8089 0.9426 1.1069 0.7746 1.0949 1.1877 1.1894 1.278 1.2774 1.5619 1.0574 0.8623 stearate (18:0) 0.6685 0.7861 0.8221 0.9717 1.1842 1.106 0.7916 0.6509 0.6849 0.7187 0.822 0.5487 1.2924 0.9963 0.5562 0.6751 0.705 0.7971 1.1259 1.8896 1.042 1.0037 0.7499 2.095 1.7556 1.8744 2.0865 2.024 2.972 1.5033 2.4964 stearidonate (18:4n3) 0.9038 0.313 0.4849 0.6393 1.193 0.759 0.7644 0.6715 0.865 0.2894 0.4689 0.1276 0.7854 1.0161 0.2923 0.6032 0.6715 1.3331 1.2247 2.7793 1.4048 1.0668 0.9839 1.6851 3.6452 2.6798 2.1065 1.9085 6.3639 1.3557 6.7836 stearoyl ethanolamide 0.8766 0.6707 0.5893 0.485 0.7277 0.9884 1.0768 0.5531 0.5282 0.6212 0.726 0.6404 1.0424 2.0797 0.5808 0.7458 1.4688 0.7787 0.9653 1.0116 0.8031 2.1537 1.0288 2.0183 1.4906 2.2069 1.8243 2.2347 2.7673 1.3625 2.5228 stearoyl sphingomyelin (d18:1/18:0) 0.677 1 0.2564 0.2188 1.2509 1.1062 1.7237 0.6467 0.3579 0.4394 0.4929 0.2408 0.561 1.4305 0.2233 1.2823 0.8869 0.5039 0.3877 0.9327 0.528 15.8832 0.2188 1.9859 2.6992 3.6178 3.4667 2.4458 6.7731 2.1433 3.0273 stearoylcarnitine 1.1291 1.9048 0.6641 0.8709 0.6655 1.1911 2.1199 0.6701 0.5966 0.5343 0.3866 0.2422 0.5539 0.6615 0.4312 0.4494 1.2439 0.3356 0.7248 1.6086 0.659 3.6066 0.5187 2.6408 3.7747 5.7375 5.3253 3.9901 16.6136 2.5684 8.5474 stigmasterol 0.4506 1.3807 1.4633 0.8431 0.7355 0.7918 0.6684 1.091 1.534 1.1164 0.6624 0.7336 1.3385 0.4506 1.1429 1.0782 1.0191 1.2618 1.0833 0.6521 0.6885 0.8554 0.6448 2.2633 0.9909 1.8201 1.0091 1.5385 0.8664 0.8158 0.4506 suberate (octanedioate) 0.7724 0.7926 0.8642 1.1937 1.0029 0.9971 1.1613 1.4426 1.0924 1.4369 1.2034 1.6994 0.853 0.9547 1.4597 0.6814 1.054 1.3103 1.1669 0.7586 1.3918 1.4067 1.1958 0.6393 0.5128 0.4277 0.4476 0.7538 0.3686 0.8058 0.1834 suberoylcarnitine 1.071 1.1367 1.0282 1.0191 1.2616 2.625 0.6224 0.8989 1.9353 1.9032 0.7229 1.0203 0.872 1.0622 1.8457 0.3674 0.8016 1.8263 0.8077 0.3674 0.9689 0.6825 0.942 0.8891 0.3674 0.3674 0.3674 0.444 0.3674 0.9809 0.3674 tauro-alpha-muricholate 0.8331 0.0143 1.2128 2.1084 1.1609 0.7589 0.0143 0.4467 1.6809 1.9052 0.9794 0.7749 0.0914 0.8908 1.8049 0.2055 0.0143 1.0206 1.151 1.784 3.0569 2.244 0.0143 0.0143 1.7204 0.4877 0.2389 0.9228 0.6382 1.7508 0.0143 tauro-beta-muricholate 4.2528 5.8067 0.664 3.0563 1.3765 0.6448 21.2581 1.1168 1.0947 0.4245 1.2964 1.9849 0.0453 0.3929 0.5057 0.242 5.4279 2.5548 2.2775 0.9053 4.3462 6.3554 30.7226 0.0348 0.6906 0.6999 0.5231 0.3494 1.4859 0.6634 0.5215 taurochenodeoxycholate 3.6641 4.0143 0.7262 2.5591 1.8271 0.7594 10.528 0.6779 0.837 0.4254 1.3074 1.3394 0.0441 0.5852 0.5322 0.2957 2.593 2.4067 1.3285 1.163 1.7897 2.6683 17.0819 0.019 0.6677 0.7755 0.4259 0.3149 1.6702 0.5596 1.6652 taurochenodeoxycholate sulfate 0.9377 1.3571 3.2364 2.5281 1.4933 2.1888 0.6372 0.6843 2.3864 3.7797 0.8123 0.415 0.7759 1.9533 2.9737 0.2995 0.453 1.1051 0.3771 0.8712 1.7251 1.7964 1.2172 0.4678 1.2717 0.2775 0.217 1.0623 0.3741 1.6396 0.016 taurocholate 3.4716 4.8989 0.7695 3.2753 2.0828 0.7475 15.4387 0.9042 1.3325 0.6087 1.063 1.3773 0.0319 0.5681 0.6456 0.2768 4.0289 2.6307 1.4198 0.942 4.0044 5.2412 19.6169 0.0318 0.6121 0.4755 0.3832 0.3939 1.8688 0.6744 1.058 taurocholenate sulfate 3.6921 4.3912 0.7885 0.949 0.5386 0.6348 4.7258 4.0485 1.051 1.2585 3.6363 3.2305 2.3253 0.659 0.8614 1.3754 3.5303 0.3693 2.7959 0.438 0.555 0.7318 2.9162 3.7569 0.5075 2.2883 3.2383 0.5051 0.3432 0.6309 0.2073 taurohyodeoxycholic acid 3.2321 4.4049 0.4827 3.004 1.973 0.6018 13.2973 0.3948 0.8519 0.2143 0.8943 1.3161 0.0955 0.448 0.3122 0.0955 4.7266 3.1458 1.2637 1.2954 2.7435 4.826 21.6121 0.0955 0.286 0.4506 0.398 0.1403 1.8316 0.3826 0.381 tauroursodeoxycholate 3.9492 4.4421 0.7606 2.4055 2.0237 0.9041 14.6055 0.9946 0.9789 0.5389 1.7365 1.925 0.0513 0.566 0.6888 0.1855 3.5181 2.8576 2.0031 1.5369 2.4204 3.2424 21.8296 0.0275 1.0054 0.9292 0.6479 0.5217 1.6406 0.7758 0.8194 tetradecanedioate 0.518 0.6913 0.7811 0.518 0.518 0.5488 1.2533 0.518 0.518 0.518 0.5903 0.518 0.755 0.6902 0.8243 1.0255 0.7643 0.9018 0.518 0.518 0.518 0.9745 1.2739 2.1615 1.6375 1.668 1.3956 1.7812 2.5693 0.518 3.4607 tricosanoyl sphingomyelin (d18:1/23:0) 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 1 0.6358 0.6358 1.9638 1.1358 1.3228 0.8536 1.7283 0.8295 0.9923 trimethylamine N-oxide 2.0942 2.9217 0.8864 1.0361 1.0144 0.9329 2.4544 2.318 0.8275 1.0222 2.1668 2.8846 0.3442 0.791 0.6971 2.438 1.1116 0.9088 0.6433 0.0589 1 0.6099 1.31 2.6701 0.1747 0.0551 0.0564 0.08 0.0551 0.0551 0.0551 undecanedioate 0.8635 0.4736 0.6801 0.7689 0.487 0.9892 1.251 0.8741 1 0.9901 0.9891 0.7933 0.9346 1.188 1.0667 1.5123 0.956 1.2319 1.2031 1.1266 0.8414 1.1375 0.4736 1.5737 0.8296 1.8385 1.0428 1.2613 1.2234 0.9195 1.8227 valerate 0.2095 0.2095 0.2095 0.2095 0.2095 0.2095 0.2095 0.2095 0.2095 0.2095 0.2095 0.6063 0.2095 0.2095 0.2095 0.2095 0.2095 0.2095 0.2095 0.8719 0.2095 0.2095 0.2252 0.2095 0.6618 1.685 1 1.4212 1.0076 1.108 0.2095 1-methyladenine 0.8414 0.8904 0.9264 1.1062 0.9192 0.9391 0.9752 1.0621 1.0248 1.1427 1.0795 1.2203 1.0446 1.0431 1.1044 1.2058 1.1097 1.4177 1.2718 0.8264 1.1744 1.2301 1.177 0.783 0.6597 0.487 0.4978 0.6484 0.3915 0.9241 0.1414 1-methylguanine 0.9995 0.7843 1.1273 1.4155 0.8904 0.9937 0.7414 1.3203 1.5528 1.7181 1.2407 1.7501 0.6825 1.3466 1.4697 1.0005 0.9124 1.1496 1.073 0.5475 1.0421 1.0341 1.2465 0.3457 0.2707 0.1151 0.1612 0.2184 0.1151 0.4915 0.1151 2'-deoxyadenosine 1.2753 1.4317 0.7519 0.6673 1.0669 1.6258 2.2479 1.2346 0.2411 0.9331 1.8744 0.7577 66.3422 0.3978 0.9072 270.9539 1.461 0.2411 0.4132 0.2568 0.2828 1.5852 0.6997 246.666 0.2411 0.3831 0.2411 0.2411 0.3542 0.2411 0.2411 2'-deoxyadenosine 5'-monophosphate 0.1051 0.1051 0.1051 0.1051 0.1051 0.1051 0.2084 0.1051 0.1051 0.1051 0.1051 0.1051 0.1051 0.1051 0.1051 1.5319 0.1051 0.1051 0.1051 0.1051 0.1051 0.4681 0.1051 2.7072 0.1051 0.1051 0.1051 0.1051 0.1051 0.1051 0.1051 2'-deoxycytidine 2.2277 5.3554 0.6039 0.5233 1.8205 3.6459 10.8178 1.001 0.2147 0.6256 2.9621 0.3719 0.4573 0.5241 1.5586 1.6328 4.5624 1.5131 1.1737 0.8695 0.999 4.8845 1.3654 1.864 0.5562 0.6822 0.6588 0.7244 0.693 0.4603 0.1634 2'-deoxycytidine 5'-monophosphate 0.073 1.3282 0.073 0.073 0.073 0.453 2.304 0.073 0.073 0.073 0.126 0.073 0.073 0.073 0.2211 2.7487 1 0.073 0.073 0.073 0.073 2.4182 0.073 3.7534 0.2148 0.073 0.073 0.0934 0.073 0.073 0.073 2'-deoxyguanosine 0.3501 2.2494 0.3501 0.3501 0.6853 1.0278 4.9407 0.3962 0.3527 0.5601 1.6513 0.6184 1.6766 0.3501 0.5089 6.1549 2.7894 0.7086 0.7002 1.6049 0.552 1.9831 0.9722 21.0385 1.2543 0.6624 0.7398 1.4262 0.4032 1.7094 0.3501 2'-deoxyinosine 1.0445 5.1846 0.3916 0.2472 0.9492 2.2829 11.3193 0.4481 0.2472 0.3877 2.0327 0.6114 0.9771 0.349 0.8579 8.6231 6.2524 1.7308 1.4208 0.529 1.0392 5.8417 1.9677 21.3706 1.0229 0.9338 0.3389 0.6247 0.807 0.3538 0.2472 2'-deoxyuridine 0.3441 0.838 0.3441 0.3441 0.3441 0.5739 3.6447 0.3441 0.3441 0.3441 0.3865 0.3441 2.1971 0.3441 0.3441 21.0196 1.2592 0.7057 0.7243 0.3589 0.3441 2.091 0.5455 79.0087 0.8838 2.401 0.9247 1 3.5521 0.3441 1.5696 3-ureidopropionate 0.5532 0.9502 0.4 0.7017 1.007 1.176 0.993 0.6834 0.7675 0.5654 0.6039 0.4818 1.6072 0.6546 0.7448 0.3964 0.9612 3.072 1.3341 0.6924 0.9637 1.7958 2.4542 5.6524 1.3664 4.5448 3.4054 2.8404 11.7897 1.9063 12.4844 5,6-dihydrothymine 0.9196 0.9801 0.3787 1.8936 1.9215 0.7575 1.0672 0.7554 0.3943 0.3787 0.7979 0.7465 1.1345 1.9896 0.7516 1.7429 0.8401 0.5342 1.1491 0.7277 2.4444 2.5087 1.0006 7.7605 0.8788 1.6165 1.8432 0.9994 2.9968 0.7054 4.3586 5-methyl-2'-deoxycytidine 1.2601 1.8878 1.0486 1 0.8904 1.1266 3.5874 1.1657 0.6998 0.716 1.8491 1.3245 0.7555 0.8768 1.3621 1.7478 2.5905 1.5068 0.9011 0.6828 0.8936 2.0288 1.2153 0.9458 0.463 0.4148 0.4142 0.2877 0.4934 0.6499 0.2877 5-methyluridine (ribothymidine) 0.7122 0.8693 0.8578 1.2636 0.619 1.8047 1.1472 0.96 1.089 1.1733 0.619 0.9832 3.5119 0.6482 0.6615 0.619 1.1927 2.0083 1.7226 0.9454 1.6755 1.4639 1.1925 0.619 0.619 0.8241 0.619 1.0168 0.9688 0.8651 0.7091 7-methylguanine 1.0985 0.9635 1.2008 1.18 1.0412 1.0927 0.8521 1.2732 1.3813 1.329 1.1701 1.3056 0.8712 1.2453 1.2489 1.0398 0.8473 1.0495 0.9894 0.6435 1.0724 0.9751 1.0106 0.7873 0.4407 0.2691 0.3218 0.3815 0.1605 0.6696 0.0588 8-hydroxyguanine 1 1.1876 0.9561 1.2035 0.8508 1.1979 1.1832 1.4985 0.8595 1.2118 1.3833 1.1555 1.8769 1.2146 1.089 0.7079 0.8257 1.1593 0.4107 0.157 2.2741 0.6914 0.8614 0.4976 0.0973 0.0973 0.1511 0.0973 0.0973 0.0973 0.0973 adenine 0.7921 0.988 0.8442 1.0642 1.012 1.1394 0.9589 0.6168 0.3707 0.7595 0.6491 0.791 42.0801 1.1839 0.434 26.8692 0.2608 0.2686 0.3172 1.7671 0.4701 0.5626 0.3789 35.0759 2.1707 3.8925 3.4237 4.4201 4.014 1.5728 2.4206 adenosine 1.1124 1.0024 1.0837 0.878 0.8588 1.0351 1.0246 1.1094 0.9052 0.9976 1.2119 0.9427 2.6534 0.9866 1.0459 31.1745 1.049 0.8803 0.9598 0.9447 0.8488 0.9164 0.862 40.0894 0.9162 1.2459 0.9356 0.8503 1.338 0.817 1.1021 adenosine 3',5'-cyclic monophosphate (cAMP) 0.5176 0.5656 0.7518 1.6222 0.5634 0.7198 0.5176 0.9137 1.1612 2.6381 1.2847 2.1477 0.5176 1.3628 1.9117 0.7126 0.5176 1.3709 0.5465 0.5176 1 0.5848 1.6085 0.5176 0.5176 0.5176 0.5176 0.5176 0.5176 0.5176 0.5176 adenosine 5'-monophosphate (AMP) 0.1304 0.1304 0.1304 0.1304 0.1304 0.1304 0.1304 0.1304 0.1304 0.1304 0.1304 0.1304 0.3505 0.1304 0.1304 1.4784 0.1304 0.1304 0.1304 0.1304 0.1304 0.1304 0.1304 3.3281 0.2604 1.4078 0.85 0.6763 1 0.1304 1.8592 allantoin 1.0503 1.173 0.9491 0.9092 0.9117 1.2061 1.2332 1.2913 1.0586 0.9909 1.0091 1.1679 1.1929 0.7761 0.9281 0.9603 1.0492 1.6891 1.1246 0.7334 1.0385 1.1159 1.2981 1.1348 0.7944 0.5841 0.7133 0.8041 0.5483 0.9534 0.3389 beta-alanine 0.7068 0.8346 1.0039 0.7831 1.0802 1.1367 1.3259 1.0204 0.914 0.9961 0.8456 0.9359 2.5704 0.7718 0.9953 1.7289 1.0144 1.2752 1.4287 0.9579 1.6106 1.6816 1.3142 2.3001 0.9359 0.5256 0.6251 0.7033 0.6786 1.2206 0.7384 cytidine 0.8802 1.0021 0.3548 0.5784 0.9979 0.7612 1.2988 0.5626 0.4529 0.4542 1.0376 0.5272 0.594 1.0282 0.6386 2.3266 0.8254 0.8744 0.57 2.276 0.7007 2.5074 0.7094 2.7259 3.042 4.4896 5.1452 3.9617 11.1945 2.0377 1.7037 cytidine 2',3'-cyclic monophosphate 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 1.1288 0.1489 0.1489 0.1489 0.1489 0.5784 0.1489 1 cytidine 5'-monophosphate (5'-CMP) 0.2919 0.9812 0.2707 0.4168 0.2707 0.7218 1.649 0.3597 0.2707 0.5491 0.522 0.3494 1.4856 0.4394 0.4369 6.5088 1.2768 0.7363 0.7884 2.5898 0.4499 1.0188 0.822 14.2456 4.2413 9.7387 9.0399 6.0459 15.2701 1.9807 3.5183 cytosine 0.915 1.2815 0.8738 0.9767 0.9221 1.0699 1.4296 0.7247 1.0469 0.8712 0.5131 0.5479 2.1972 0.4827 0.6562 0.4315 1.2601 0.8281 1.1645 0.711 1.1695 1.2682 1.2325 0.8231 0.4066 1.0592 1.0556 1.0035 1.311 0.9965 1.086 dihydroorotate 0.4628 0.1279 0.2984 0.2419 0.1707 0.1279 0.5949 1.8793 0.1907 1.2355 0.1279 75.2781 1.1806 0.2571 5.8661 1.2433 1.6791 0.4075 9.1582 0.2803 0.2913 2.1147 1.2531 1.5293 1.0316 1.1179 1 0.865 0.9456 0.3911 0.1279 guanine 0.9895 1.1841 0.9164 1.0608 0.9492 0.9114 1.661 0.9657 0.8724 1.0388 1.0755 1.3699 0.8422 1.0105 1.1892 3.0162 1.5004 1.1597 1.055 0.8294 0.8298 1.2173 1.5164 1.8922 0.5312 0.4708 0.4563 0.4847 0.2222 0.527 0.061 guanosine 1.1654 0.3619 0.3619 0.4564 0.3619 0.3619 0.3619 0.3619 0.8952 0.7088 0.3619 1.0653 1 0.8065 0.8768 52.9054 0.8785 1.248 1.9003 0.3619 0.878 0.3619 0.5668 62.3214 0.5894 1.9269 1.2714 0.3619 5.6028 0.7831 9.0738 guanosine 5'- monophosphate (5'-GMP) 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 2.4041 0.2561 0.8662 0.3535 0.2561 1.4168 0.2561 1 hypoxanthine 0.4374 0.9538 0.3867 0.5238 0.5922 0.8587 1.3516 0.4719 0.3094 0.4868 0.3638 0.7174 0.4183 0.5928 0.5183 1.0082 1.3577 1.1165 1.298 0.9017 1.1661 2.2389 1.3202 2.0539 1.0644 1.4717 1.2268 1.192 1.9372 0.9918 1.3481 inosine 1.0432 0.803 0.305 0.3577 0.3448 1.0297 1.1106 0.3749 0.4491 0.481 0.305 0.305 1.5819 0.317 0.305 12.2621 1.25 1.1194 1.475 0.6292 0.8312 1.3153 0.6947 12.123 0.5917 1.7346 1 0.8926 5.9197 0.8116 15.7312 methylphosphate 0.6538 0.949 0.7576 0.7575 0.6582 0.6236 0.7944 0.95 0.7363 0.8433 0.6114 1.05 5.0793 0.7266 0.8573 2.5902 1.3958 0.6096 1.2577 8.5288 0.5885 1.3779 0.6212 41.7405 8.3257 13.5148 13.5951 5.4588 8.2118 3.5017 2.6762 N6,N6-dimethyladenosine 4.4181 2.581 1.4362 1.7271 1.5706 1.8309 2.9014 0.9637 0.253 0.8504 3.708 1.0363 0.5195 0.5653 0.7023 0.253 1.8654 0.7863 0.3936 0.253 0.253 0.5957 0.7205 0.253 0.253 0.253 0.253 0.253 0.253 0.253 0.253 N6-carbamoylthreonyladenosine 3.7639 4.0996 3.6374 3.6998 2.2101 3.5718 2.4633 2.4834 2.8562 1.9552 3.1917 0.7256 0.965 1.8705 2.225 3.0001 0.4775 0.3215 0.3285 0.3873 0.156 0.6542 0.1729 1.0194 0.6287 0.6432 0.585 0.5325 1.0735 0.9806 0.6772 N6-methyladenosine 0.9088 1.4852 0.2309 0.2309 0.2309 0.2309 2.381 0.4219 0.2309 0.2309 1.9307 0.2309 0.2309 0.2309 0.7406 3.1783 1.3584 0.7715 0.3473 0.2309 0.2309 1.0912 0.5273 6.3977 0.2309 0.2309 0.2309 0.2309 0.2309 0.3977 0.2309 N6-succinyladenosine 1 1.2051 1.0087 1.2441 1.1835 1.081 1.4137 1.0837 1.1272 1.2812 0.8013 0.9554 0.6495 0.9469 1.3727 0.7889 0.98 0.948 1.1439 0.7627 1.0587 1.3196 1.2545 1.1758 0.7846 0.6581 0.7963 0.6555 0.6529 0.8269 0.3456 N-acetyl-beta-alanine 0.4718 1.0382 0.706 0.5179 0.6662 0.6586 1.1268 0.7326 0.8357 0.5668 0.3147 0.8442 1.0486 0.3147 0.3147 0.7301 0.9494 0.9837 1.2091 0.52 1.3044 1.1739 1.11 1.6157 1.4726 1.4189 1.0603 0.7768 1.0163 1.1854 1.2361 N-carbamoylaspartate 0.3088 0.2379 0.3605 0.7594 0.524 0.3912 1.2111 0.9928 0.3272 0.5848 0.2164 30.6846 0.4239 0.3251 2.7005 0.8123 2.4014 1.0072 8.6699 1.0196 1.2685 5.4184 5.7009 1.2101 1.5931 0.8356 1.5968 1.8314 0.4861 2.1775 0.041 orotate 0.9612 0.8594 0.954 1.1145 1.0388 1.143 1.368 1.2404 0.9597 1.105 1.0967 2.7994 0.8804 1.1383 1.2721 0.8965 1.6033 1.535 2.3667 0.7317 1.4932 2.0655 1.7079 0.1079 0.5683 0.2653 0.3651 0.4868 0.1098 0.8637 0.0223 orotidine 1.0646 1.4968 1.193 1.1933 1.1823 1.5602 1.304 1.3933 1.368 1.2063 0.8608 0.942 1.4287 0.8216 0.957 0.8929 0.9439 1.8344 1 0.5512 1.2742 1.4125 1.1647 0.5727 0.7482 0.3319 0.469 0.5509 0.3182 0.8069 0.1341 pseudouridine 2.9269 0.6528 0.5379 0.7501 0.4233 0.2772 0.8633 1.431 0.6999 1.8272 2.276 1.4198 0.2715 0.9922 1.8101 2.3628 0.4474 0.639 0.3533 1.0078 0.3747 0.8665 0.8246 5.1531 1.2706 3.6532 2.7181 2.1508 7.908 0.9084 5.9952 thymidine 1.739 3.8378 0.3137 0.4373 0.8144 1.7424 10.1635 0.7839 0.1977 0.6848 2.2892 0.6676 1.2611 0.3677 1.9024 15.7288 3.5451 0.9944 1.2494 0.5375 0.3933 4.5995 1.0056 27.3606 0.7116 1.2548 0.7249 0.5871 1.5398 0.4666 0.9539 thymidine 5'-monophosphate 0.5947 0.9483 0.5947 0.5947 0.5947 0.5947 1.0321 0.5947 0.5947 0.5947 0.5947 0.5947 0.7967 0.5947 0.5947 4.1105 0.5947 0.5947 0.5947 0.5947 0.5947 0.5947 0.5947 6.723 0.5947 0.609 0.5947 0.5947 1 0.5947 0.5947 thymine 0.618 1.6869 0.4857 0.9447 1.0126 1.3971 4.061 0.4496 0.2613 0.4811 0.4885 0.5065 1.5559 0.3172 0.5518 2.9992 2.2816 1.549 1.8987 0.9874 1.5291 3.3777 1.9794 9.0224 0.788 1.2228 0.7019 0.81 1.1682 0.8116 0.3672 uracil 0.399 0.7042 0.1378 0.3473 0.4685 0.5676 1.5591 0.5562 0.2256 0.5619 0.3733 0.4878 1.2732 0.66 0.6753 3.3052 0.9921 0.74 1.0529 1.0079 0.6808 2.3225 1.1438 11.2464 1.9709 4.4161 3.0461 3.0374 5.9308 1.482 2.482 urate 0.9493 1.0701 0.9964 1.9549 1.893 1.0003 1.2048 0.9578 0.9595 1.1329 1 1.0285 1.1145 1.8223 1.0218 0.1498 0.1111 0.1868 0.1111 0.1695 0.2306 0.3442 0.1749 1.0636 0.4714 1.3133 1.2866 0.8323 2.2154 0.453 1.4471 uridine 0.5887 1.0182 0.2796 0.4598 0.5996 0.4845 1.2047 0.4513 0.3382 0.4015 0.7201 0.3595 3.1973 0.3826 0.6665 22.5028 0.9818 0.7466 1.0896 2.3534 0.284 1.1674 0.5727 90.191 2.5535 16.6106 7.2833 3.0762 34.7345 1.3928 25.8305 xanthine 0.0989 0.6486 0.0756 0.305 0.3653 0.9397 1.4772 0.0713 0.0545 0.0737 0.0515 0.0831 1.7252 0.1767 0.0877 1.6764 0.4249 0.5193 1.0755 2.3508 1.0603 1.8621 0.8685 11.1015 2.9547 8.5713 6.0153 5.4873 9.9165 2.829 6.1261 xanthosine 0.1919 0.1919 0.1919 0.1919 0.1919 0.1919 0.1919 0.1919 0.1919 0.1919 0.1919 0.1919 0.1919 0.1919 0.1919 0.399 0.1919 0.1919 0.1919 0.4471 0.1919 0.1919 0.1919 2.4413 0.4641 1.6091 1.1814 0.8186 3.7805 0.5693 3.8952 alanylleucine 1.2533 0.6799 1.7235 0.5359 0.3907 0.4588 0.4825 3.0711 0.9356 3.1663 1.3689 4.3118 0.2799 0.8445 2.9301 2.7704 0.8998 0.7176 0.6948 1.2344 0.4446 0.7364 0.5292 0.3335 1.0882 1.1644 1.0644 1.424 1.4662 1.6087 0.1814 anserine 0.9715 0.9794 1.1202 1.2097 1.1153 1.08 0.9178 0.9479 0.9949 1.149 1.0311 0.9978 0.9227 0.9824 0.9073 0.8314 0.9932 1.2601 1.0022 1.0658 1.3183 1.3999 1.1585 0.877 1.1851 0.6705 0.7696 1.0812 0.5485 1.1408 0.1237 carnosine 1.0429 1.0025 1.2611 1.322 1.1796 0.9975 0.9311 0.8528 0.9404 1.1028 1.2877 1.0593 1.1367 1.0084 0.9147 0.8316 1.0465 1.2625 1.2948 0.7583 1.179 1.0855 1.2511 0.7622 0.8892 0.6009 0.5527 0.6825 0.2985 0.8425 0.5635 gamma-glutamylalanine 0.577 0.9638 0.4894 0.7692 0.8605 1.0808 2.086 0.6197 0.4239 0.3948 0.7064 0.3822 0.854 0.6646 0.3665 0.4949 1.0362 1.4823 0.9573 2.0501 1.8338 2.749 1.3033 1.7684 2.6515 3.9403 4.2423 3.2671 3.4902 1.1081 0.5049 gamma-glutamylcysteine 1.1359 1.2143 1.1703 1.4422 1.1545 1.3068 1.2968 1.15 0.9825 0.9192 1.0258 0.8735 0.8694 0.9585 0.9559 1 1.3501 1.18 1.2543 0.76 1.4402 1.2201 1.3352 0.4669 0.6159 0.3905 0.3975 0.5971 0.1607 0.8565 0.1607 gamma-glutamyl-epsilon-lysine 0.7389 0.844 1.2348 1.1796 1.1723 2.0513 1.0447 1.0096 2.1963 1.6814 0.9579 0.9617 1.0359 0.9382 1.0316 0.9904 1.0814 1.6187 1.29 0.7228 2.1282 1.7628 1.2095 0.6507 0.8596 0.3325 0.3948 0.5817 0.1986 0.8795 0.0145 gamma-glutamylglutamate 0.5757 1.1222 0.6566 0.7321 0.6418 0.9358 1.377 1.045 0.4634 0.8373 0.8858 0.955 0.2535 0.6113 0.7823 0.3722 1.5908 1.8277 1.9063 1.683 1.406 3.0606 1.7955 0.2546 1.975 2.8633 2.4693 2.6631 3.068 1.8254 0.8266 gamma-glutamylglutamine 0.2184 1.0409 0.1861 0.4269 0.6952 1.2875 3.5811 0.1055 0.1332 0.3165 0.5595 0.3691 0.1055 0.6668 0.2952 0.3213 0.9186 1.7355 1.9852 5.256 1.6849 3.8119 2.0183 1 8.2093 14.8593 12.718 13.9369 10.9181 5.3334 0.7462 gamma-glutamylglycine 1.1316 1.2491 1.353 1.5539 1.2654 1.5277 1.1908 1.1283 1.2457 1.4937 1.1905 0.9112 1.06 0.9911 1.0915 0.7379 0.7326 1.0089 0.7618 0.7406 1.2298 1.1561 0.8692 0.5257 0.613 0.3784 0.5204 0.6664 0.477 0.6215 0.0712 gamma-glutamylhistidine 0.6396 0.9828 0.7402 0.9898 0.7622 1.1625 1.4665 0.9169 0.6507 0.8587 0.8654 0.7143 0.9601 0.4135 0.6706 0.745 1.1428 1.2255 1.5977 1.4781 1.347 1.8459 1.3732 0.9133 2.2076 3.7575 3.3239 3.1005 4.8375 1.4 1.0102 gamma-glutamylisoleucine 1.9021 1.4325 2.4707 2.0552 1.8026 2.3511 1.1758 1.2701 1.0375 1.4381 1.0721 0.9798 0.5378 2.0357 1.3529 0.5843 1.3657 1.3267 0.7074 0.205 0.6258 1.0202 0.5604 0.1913 0.1552 0.1057 0.1356 0.1752 0.0814 0.1175 0.0117 gamma-glutamylleucine 0.7299 0.9578 0.6626 0.9129 1.0211 1.2317 2.3709 0.9495 0.5676 0.8447 0.8114 1.1756 0.2496 1.7635 0.9199 0.9789 1.4764 1.3876 0.8805 3.5099 0.8456 3.4837 0.9617 0.6046 4.3745 6.1247 5.7002 5.6313 6.7739 3.0969 0.3164 gamma-glutamylmethionine 0.4131 1.0314 0.3679 0.6741 0.7518 1.2816 2.5477 0.4088 0.2935 0.3882 0.5262 0.3046 0.5064 0.6832 0.4041 1.7613 0.9579 1.2609 0.6407 2.8364 1.2713 3.9773 1.175 0.9686 4.809 7.7773 7.2422 5.8408 5.9873 2.089 0.5164 gamma-glutamylphenylalanine 0.763 0.7462 0.9785 1.0857 0.9124 1.1925 1.2317 0.923 0.7788 1.2468 0.7865 0.9365 0.4057 0.9994 0.9992 0.901 1.1427 2.0066 0.8995 1.3182 1.1811 1.5432 1.0006 0.4556 1.6369 2.2134 2.3171 1.9078 2.628 0.7528 0.5429 gamma-glutamyltryptophan 0.4473 0.9981 0.4782 1 0.7219 1.3021 3.0037 0.7035 0.2076 0.3556 0.8496 0.3999 0.1976 0.4779 0.1285 0.1285 0.574 1.1836 1.0608 3.6303 1.9482 2.4297 1.8304 0.9858 5.1047 10.4708 8.1437 8.5692 18.2436 2.7414 10.4764 gamma-glutamyltyrosine 0.5536 1.0571 0.7404 0.8262 0.789 1.3062 2.3947 0.8212 0.4796 0.9429 0.8049 0.721 0.2765 0.5956 0.7344 0.4535 0.575 1.2834 0.5933 3.0774 1.0796 2.1049 1.1694 0.3832 5.2009 10.0665 8.8281 6.499 12.3061 1.597 4.665 gamma-glutamylvaline 0.4458 0.6448 0.741 0.5875 0.5522 0.4588 0.6696 1.0193 0.4539 1.6188 0.6687 2.0924 0.5463 0.7164 1.5279 0.3902 1.2117 0.9807 0.9131 2.299 0.5911 2.1707 1.1082 0.5114 3.0615 6.1435 4.1913 4.6618 5.756 2.75 2.0688 glutaminylleucine 0.6943 0.7537 0.9096 0.5055 0.2392 0.3192 0.6766 1.7621 0.6055 1.7798 0.8774 1.6546 0.1599 0.488 1.4014 1.634 1.9577 0.9074 2.1338 1.9774 0.3637 1.0904 0.593 0.2135 2.167 4.8905 4.0976 2.9964 2.83 1.955 0.079 glycylisoleucine 0.6972 1.2548 0.6039 0.7806 0.8434 0.8308 1.7142 0.7823 0.543 0.6474 0.9163 0.9124 0.157 1.0434 0.6921 0.7044 1.0722 1.2102 1.2447 2.1304 0.9566 4.0296 1.3662 0.1378 2.2473 2.9738 2.7812 2.7308 2.9093 1.4923 0.0281 glycylleucine 0.7335 1.0652 0.59 0.722 0.7447 0.8622 1.8382 0.7924 0.3603 0.6118 1.094 1.0521 0.1497 1.1417 0.6927 0.9362 0.8886 1.1577 0.8049 1.9893 0.9479 2.478 1.0789 0.2267 2.1579 2.5652 2.6003 2.5675 2.1557 1.3802 0.1592 glycylvaline 0.7314 0.9864 0.7253 0.6855 0.6529 0.7745 1.7566 1.2138 0.4956 0.8926 0.9252 1.3927 0.1441 1.0613 0.8854 0.5595 1.1031 1.2573 1.166 1.2623 1.0002 2.7091 0.9998 0.1241 1.2971 2.2382 1.928 1.6756 2.1263 0.8946 0.0905 histidylalanine 1.1084 1.6336 0.6808 0.4342 0.649 0.9513 1.6218 1.3079 0.4685 0.8644 0.9085 0.8255 0.0959 1.8707 0.6676 0.0959 1.0487 0.5058 0.7677 2.4269 0.5588 2.876 0.4014 0.0959 4.5548 5.1336 6.9303 6.2937 4.4786 2.6087 0.0959 isoleucylglycine 0.723 0.7549 0.7014 0.5418 0.4778 0.5257 0.906 1.1071 0.5343 1.0135 0.9253 1.4214 0.3042 0.7104 1.0823 1.6548 1.036 0.9865 1.038 1.5188 0.6147 1.4063 0.699 0.3281 1.3796 2.1076 1.7193 1.909 2.8514 1.386 0.1584 leucylalanine 1.0192 0.573 0.9808 0.4178 0.2927 0.3627 0.5263 1.9191 0.6523 2.3829 0.8182 2.2779 0.1436 0.7299 1.9405 1.4874 1.2883 0.8959 1.2171 1.6145 0.4504 0.7512 0.6036 0.1836 1.3383 1.9949 1.6846 2.2343 1.8526 2.4003 0.3335 leucylglutamine 0.8436 0.4126 0.7331 0.3219 0.2403 0.2904 0.4743 1.7272 0.4532 1.6766 1.1424 2.8796 0.146 0.5761 1.7548 1.0199 1.1587 0.9801 1.4536 1.7872 0.3905 0.6033 0.8324 0.1005 1.1556 1.3089 1.0366 1.7628 1.334 2.6901 0.0628 leucylglycine 1.2831 0.9113 0.6923 0.5177 0.4792 0.5435 0.9389 1.0611 0.4676 0.8198 0.8813 1.096 0.267 1.3661 0.9076 1.4792 1.2641 0.8714 0.9165 1.7346 1.1059 1.6552 0.548 0.1532 1.8059 2.3337 2.193 2.6282 2.2579 2.2924 0.1535 lysylleucine 0.8486 0.7441 0.6528 0.4913 0.4396 0.5555 0.5497 1.133 0.4233 1.0491 0.8685 2.0192 0.6102 1.2262 1.1011 4.2854 1.2881 1.1292 1.2111 0.9744 0.6046 1.7385 0.3573 0.4743 1.0256 3.3928 2.5824 1.7339 4.0337 0.8958 0.1018 N-acetylcarnosine 0.928 0.9592 0.9319 1.2823 1.0963 1.0955 0.9078 0.9187 0.9236 1.0287 1.2286 1.1916 1.0334 1.0537 0.9296 1 1.1204 1.3883 1.4271 0.6053 1.3602 1.4153 1.4035 0.4063 0.5681 0.1561 0.2502 0.4712 0.1561 0.8121 0.1561 phenylacetylglycine 0.6296 0.8239 0.5613 0.6535 0.5744 0.6375 0.455 0.7326 0.9152 0.6437 0.4651 0.4889 1.0848 0.4913 0.63 0.8611 1.686 2.2221 2.52 6.2808 1.1524 1.6097 2.7409 20.7935 12.6552 27.6354 27.6822 21.5616 5.0959 14.9133 4.3009 phenylalanylalanine 1.3793 1.3778 0.9249 0.5321 0.5426 0.6222 1.3002 1.2749 0.6431 1.4383 0.8146 1.0751 0.0892 2.1846 1.1518 0.4155 0.7347 0.3342 0.521 2.8962 0.4152 1.542 0.2517 0.0584 5.129 10.2825 9.9151 7.6911 8.1175 3.6164 0.2479 phenylalanylglycine 0.8389 1.0879 0.7526 0.4999 0.4494 0.5438 0.9651 1.0474 0.4028 1.1603 1.0349 1.2343 0.1324 1.1778 1.0467 0.6994 0.7927 0.6336 0.7063 2.5148 0.3534 2.0196 0.3698 0.0725 2.5073 4.9599 4.4656 3.9122 5.3788 2.1624 0.3099 prolylglycine 2.1062 2.1675 2.5894 2.957 2.4939 2.4969 2.6609 2.2955 1.2295 2.2448 2.6208 1.9067 1.0901 1.968 1.9287 0.39 0.2011 0.4562 0.2034 0.7269 0.5561 1.0634 0.5327 0.266 0.7341 0.7675 0.8056 0.9366 0.6689 0.5423 0.059 threonylphenylalanine 1.0106 0.6281 0.9093 0.7189 0.7414 0.6922 0.7803 1.5449 0.6252 1.4053 0.8641 1.7206 0.7828 0.8028 1.3547 3.0049 1.6694 1.0934 1.8264 1.2191 0.7663 0.9871 0.8404 0.418 1 1.3852 1.3043 1.1295 0.6972 1.4842 0.418 tryptophylglycine 1.282 0.9324 1 0.7966 0.6588 0.8768 0.9451 1.5518 0.5548 1.5486 1.1923 2.175 0.2478 2.2096 1.3763 0.4907 1.0644 1.1944 0.9062 1.031 0.7175 1.194 0.6565 0.1216 0.8501 1.2053 1.5712 1.2517 1.0846 0.7054 0.1216 tyrosylglycine 1.3337 1.7597 0.9818 0.8411 0.8163 0.9638 2.0997 0.8657 0.4738 1 1.2785 1.2289 0.1402 1.7303 0.8794 0.3914 0.8226 0.6609 0.7631 3.6068 1.0611 3.3422 0.4182 0.1402 5.4526 7.6156 8.3532 8.725 8.8794 4.2025 0.5092 valylglutamine 0.8601 0.5093 0.7475 0.3341 0.3133 0.4206 0.5347 1.2794 0.4779 1.2166 1.0414 2.2844 0.1535 0.7615 1.299 0.7848 1.2098 1.1383 1.1524 1.8834 0.6848 0.5992 0.9586 0.1106 1.2004 1.3557 1.2487 2.8274 1.1776 2.4611 0.0751 valylglycine 1.0655 1.1026 0.6141 0.6705 0.7383 0.799 1.4346 0.7442 0.4888 0.6302 1.0521 0.916 0.4065 1.4386 0.6476 1.7625 0.9479 1.0716 0.8422 2.0583 0.8815 3.3074 0.8615 0.308 2.4785 2.9478 2.8957 3.1462 4.1797 1.6297 0.2299 valylleucine 0.993 0.6691 1.3392 0.7855 0.5478 0.4919 0.7222 2.1923 0.9791 2.9615 1.0021 4.8673 0.8958 0.56 2.8258 4.422 1.5696 1.0188 1.7394 1.11 0.57 0.6408 1 0.501 0.7548 0.095 0.781 1.1388 1.0959 1.9949 0.095 1-(3-aminopropyl)-2-pyrrolidone 1.6148 2.315 1.3949 0.7245 0.6996 1.7889 1.66 1.4744 1.5019 1.0994 1.0904 0.9613 1.4678 0.4047 1.0299 0.913 1.022 2.5318 0.8172 0.689 0.5695 0.7145 1.2504 1.0049 0.7363 0.2628 0.3519 0.6512 0.2244 1.0688 0.05 1H-quinolin-2-one 0.3596 0.6764 0.599 0.7205 0.642 0.8279 1.0012 0.4747 0.5705 0.4708 0.4831 0.7869 0.7195 0.5216 0.473 1.1877 5.1103 6.5031 9.8547 1.8588 7.3273 7.5162 8.8489 2.04 1.7511 1.6881 1.8558 1.9165 0.9988 1.439 0.4713 1-kestose 2.0729 1.3712 1.0692 2.4638 0.9126 0.9494 1.8646 1.5918 1.5802 2.0463 1.8211 1.2607 0.9033 1.2051 1.5979 0.9383 0.9806 0.9292 1.223 0.5392 0.8527 1.0194 2.6136 0.104 0.429 0.2866 0.2908 0.347 0.1532 0.7659 0.104 2,3-dihydroxyisovalerate 0.3382 0.5345 0.3953 0.8871 0.489 0.3382 0.786 0.3382 0.3382 0.4216 0.3382 0.3382 44.9631 0.3382 0.3382 49.0986 0.8944 2.2243 1.0606 0.9394 1.3184 1.5871 2.0439 33.9175 1.3383 0.7921 0.8579 1.745 0.6238 1.2606 0.3382 2,8-quinolinediol 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2,8-quinolinediol sulfate 0.9271 0.7006 0.5419 1.0647 1.1324 0.868 1.2962 0.9524 0.7693 1.1716 1.131 1.3042 0.2086 1.1359 1.4742 1.0476 1.1823 1.3453 1.0731 0.4779 1.6022 1.425 1.4554 0.0876 0.2811 0.1168 0.1463 0.1975 0.1384 0.4116 0.0876 2-isopropylmalate 0.0739 0.0739 0.0739 0.0739 0.0739 0.0739 0.0739 0.0739 0.0739 0.0739 0.0744 0.0739 26.0309 0.0739 0.0739 16.1431 0.0739 0.0739 0.1184 0.0739 0.0739 0.0739 0.0739 5.804 0.0739 0.0739 0.0739 0.0739 0.0739 0.0739 0.0739 2-keto-3-deoxy-gluconate 1.0419 0.9612 0.8136 0.7206 0.5045 0.963 1.0735 1.207 0.9972 1.3209 0.663 1.1763 16.5389 1 0.7227 7.0261 1.1171 1.1522 1.4401 0.7337 1.4109 1.4805 1.4244 2.0523 0.8026 0.242 0.5259 0.572 0.1797 0.9011 0.1797 2-ketogluconate 1.1667 1.4056 1.7797 1.6784 1.1198 1.1249 1.4461 1.1265 1.1819 1.2333 1.5152 0.9578 1.6768 0.7626 1.341 1.1505 0.8878 0.8108 0.3401 0.5896 0.6067 0.9232 1.0422 0.4533 0.6239 0.1554 0.1641 0.2861 0.0572 0.452 0.0572 2-oxindole-3-acetate 0.9203 0.8453 0.8554 0.985 0.8264 0.9283 1.1802 1.0172 0.9807 1.0368 1.015 1.0538 1.1915 0.7507 1.1122 2.7253 1.0163 1.2294 1.1447 0.7628 1.3251 1.3317 1.4159 3.4545 0.5709 0.4642 0.5249 0.6443 0.2882 0.9367 0.1085 3,4-dihydroxybenzoate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3,5-dihydroxybenzoic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3-deoxyoctulosonate 0.995 1.1748 1.097 1.1841 1.1021 1.1887 1.04 1.1719 1.005 1.1432 1.0436 1.0304 1.4989 0.9928 1.0812 1.2179 0.3059 0.3881 0.3475 0.2048 0.0225 0.262 0.2998 1.1436 0.1108 0.0258 0.0737 0.0616 0.0225 0.1609 0.0225 3-hydroxypyridine sulfate 0.8428 0.4314 0.4314 0.9908 2.6593 1.0224 1.2354 0.9938 0.4314 0.4796 1.2073 0.9533 0.4314 1.5023 1 1.6841 1.4153 4.4964 0.4314 0.636 3.8267 2.6535 3.2498 0.744 0.4378 0.4314 0.7568 0.6105 0.8846 0.4314 1.8858 4-hydroxybenzoate 0.5432 0.5805 1.1629 1.043 1.1839 1.3329 0.9126 0.7899 0.827 0.9131 0.7475 1.1306 1.4778 0.8969 0.9341 1.8395 1.3657 1.9451 1.8672 0.8517 2.0065 1.6898 1.3451 4.9028 0.9921 0.7467 0.6055 0.9556 0.6155 1.0079 0.2313 4-hydroxyhippurate 1.2309 1.7448 1.5464 0.8898 1.122 2.3287 1.6141 1.411 2.483 2.4301 0.8495 0.8272 0.9389 0.467 2.1434 0.9906 0.7441 3.142 0.7149 1.2328 0.649 0.8742 1.4477 0.2947 1.0094 0.2402 0.2312 0.887 0.1685 1.917 0.1685 4-hydroxymandelate 0.2354 0.6795 1.035 0.3914 0.7736 1.2869 0.2291 0.6953 0.6347 1.2257 0.2368 0.564 1.4951 1.1101 0.5463 1.8175 1.5103 1.8531 1.6341 0.965 1.5014 1.1156 1.5548 1.3437 0.6662 0.3994 0.6904 0.6826 0.2291 1.6382 0.2291 4-vinylphenol sulfate 0.1441 0.1441 0.1441 0.1441 0.1441 0.1441 0.5231 0.1441 0.1441 0.1441 0.1441 0.1441 0.1441 0.1441 0.1441 0.1441 0.2482 0.2254 0.1983 1.4828 0.4523 0.5559 0.5282 1 2.8914 2.1756 1.5353 2.8114 1.4881 1.5277 2.2766 afromosin 0.7307 0.5756 1.4967 0.8804 0.4226 0.7627 1.0675 0.3862 2.0361 1.0473 0.3901 0.3373 5.596 0.3286 0.4359 5.2294 0.7437 1.4026 1.1958 3.299 0.395 0.9527 0.7583 18.7662 5.6981 2.3407 2.0948 3.5396 4.273 2.1795 0.2747 apigenin 0.7236 0.9271 0.975 0.6518 0.7599 0.6916 1.0098 0.4819 1.2813 0.784 0.667 0.5134 8.8258 0.3911 0.5575 5.8019 0.9891 0.5304 2.043 2.1798 0.7887 0.9902 1.0117 31.6005 3.5914 5.4348 5.2654 5.8274 4.5475 4.0336 1.7169 benzoate 0.6442 0.6608 0.6296 0.6358 0.6173 0.8214 0.8759 0.6877 0.8888 0.8133 0.6009 0.9216 0.8064 0.9773 0.6774 0.9508 1.6139 2.9629 2.3587 1.5539 1.772 2.7929 2.1322 1.4697 1.6086 2.1352 2.4451 2.2052 1.5578 1.4688 1.0227 beta-guanidinopropanoate 1.1356 0.7015 0.5476 0.6655 0.9587 0.9923 0.7994 0.6585 1.1052 0.5476 0.5476 0.5476 1.4768 0.778 0.5496 0.9324 0.652 0.568 0.8727 1.5216 1 2.0337 0.9522 2.1251 2.3302 3.4273 3.0449 2.7211 4.3308 2.174 2.5565 biochanin A 0.8077 0.4998 1.3802 1.349 0.4399 0.522 0.4805 0.3821 1.191 0.8258 0.2275 0.2152 3.0563 0.2153 0.3614 5.5538 0.8404 1.7214 0.604 2.5985 2.4061 1.1596 1.4445 13.7183 5.204 2.1857 1.8655 2.3423 5.5679 0.7987 0.3835 caffeic acid sulfate 1.1567 1.949 1.3175 1.2494 1.3012 1.4011 1.3966 1.254 1.1721 0.9344 0.8121 0.7546 1.2345 0.7273 0.8468 0.9662 0.9458 1.9964 1 0.7652 1.2825 1.4292 1.4309 0.5005 0.9222 0.6691 0.6466 0.7324 0.4619 1.0681 0.128 chrysoeriol 0.7374 0.4934 0.6307 0.787 0.5887 0.8962 0.9165 0.5724 1.1058 0.9195 0.3196 0.358 9.2063 0.5921 0.543 5.6811 0.4919 0.9032 1.9606 2.168 1.0703 1.1609 0.9297 33.3108 3.5448 5.7502 4.8401 3.5267 4.9254 4.0154 1.7997 coumaroylquinate (4) 0.7681 0.494 0.741 1.2921 0.6126 0.7602 1.1418 1 1.049 0.9431 0.4107 1.5433 1.0645 0.8196 1.4252 0.8832 1.8126 1.9586 1.684 0.6925 1.8504 1.7634 2.6035 0.1043 1.1086 0.4861 0.4097 0.839 0.1043 1.4476 0.1043 coumaroylquinate (5) 0.8949 0.9472 0.9083 1.2691 0.7174 0.7529 1.5036 1.0435 0.9424 1.4457 0.7405 1.3406 1.448 0.8973 1.6179 0.9565 1.2306 1.6471 1.882 0.5725 1.5038 1.4109 2.1767 0.2753 0.6152 0.5219 0.2753 0.6525 0.2753 1.2115 0.2753 coumestrol 0.5378 0.5378 0.5378 0.5378 0.5378 0.5378 0.5378 0.5378 0.5378 0.5378 0.5378 0.5378 1.0989 0.5378 0.5378 0.5378 0.5378 0.5378 0.5378 0.5378 0.5378 0.5378 0.5378 5.2944 0.5378 0.5378 0.5378 0.8222 0.5378 0.9011 0.5378 daidzein 0.7372 0.7782 1.0546 0.661 0.6985 0.8376 0.7507 0.768 1.3356 0.9781 0.8553 0.8435 4.5188 0.6649 0.9449 4.1787 0.9788 1.0212 1.8287 1.7767 0.7859 1.0901 1.0363 7.4979 1.7888 1.6807 1.4307 1.3916 1.7279 2.2555 0.1818 daidzein sulfate (1) 1.062 0.9685 1.2132 1.1197 0.9135 1.2408 1.2292 1.0508 1.1882 1.1452 0.9303 0.8644 1.5361 0.8333 1.1338 0.5688 1.1344 1.0184 1.0276 0.8867 0.8447 0.9586 1 1.0172 0.8016 0.7087 0.9198 0.8882 0.435 1.0793 0.1128 daidzein sulfate (2) 0.8869 1 1.0772 1.0719 0.9142 1.0881 0.9828 0.9718 1.1129 1.101 0.7964 0.9532 1.2546 0.8739 1.1023 1.3252 1.0832 1.0329 1.0207 0.9861 1.0654 1.1062 1.025 0.4805 0.9025 0.7083 0.8356 0.8953 0.4615 1.1926 0.1946 daidzin 0.8753 0.984 0.8617 0.9853 0.9027 1.0074 1.1095 0.7946 0.911 1.0994 0.9935 1.1049 2.0497 0.9645 1.1424 3.2804 0.8766 1.0463 0.9022 1.1379 1.1349 1.388 1.4565 3.4568 0.8745 1 0.9072 1.1309 0.7826 1.4254 0.1399 diaminopimelate 0.1792 0.1792 0.1792 0.1792 0.1792 0.1792 0.1792 0.1792 0.1792 0.1792 0.1792 0.1792 3.7511 0.1792 0.1792 1.9685 0.682 0.3303 1 0.7156 0.3745 0.5326 0.6153 2.9432 0.864 3.9542 2.8815 2.9629 2.4149 2.0614 0.2019 digalacturonic acid 0.7813 1.0459 1.1801 0.4801 0.7516 1.0335 1.1805 1.0046 0.5907 0.8862 0.9954 0.572 41.5339 1.1269 0.7448 9.5885 1.1788 1.079 1.1086 0.4497 0.6955 0.4956 1.0966 13.3556 0.2678 0.2542 0.2542 0.2542 0.2542 0.6697 0.2542 dihydroferulic acid 0.4834 0.4834 0.4834 0.4834 0.4834 0.4834 0.4834 0.4834 0.4834 0.4834 0.4834 0.4834 0.4834 0.4834 0.4834 1.173 0.4834 0.4834 0.4834 0.4834 0.4834 0.4834 0.4834 6.0092 0.4834 0.4834 0.4834 0.4834 0.4834 0.4834 0.4834 ectoine 0.8497 0.6326 0.8769 1.0112 0.9114 1.1315 0.8528 1.0048 0.8116 1.1335 0.8813 0.9879 1.1018 1.0293 1.1578 0.8612 0.9952 1.507 1.4178 0.8763 1.6724 1.1079 1.2117 0.6885 0.6077 0.691 1.4866 1.0993 0.1771 1.1512 0.3755 equol 0.1404 0.1404 0.1404 0.1404 0.1404 0.1404 0.1404 0.1404 0.1404 0.1404 0.1404 0.1404 0.1404 0.1404 0.1404 0.6273 0.1404 0.1404 0.1404 0.1404 0.1404 0.1404 0.1404 4.3694 0.1404 0.1404 0.1404 0.1404 0.1404 0.1404 0.1404 equol glucuronide 0.0733 0.0733 0.0733 0.0733 0.0733 0.0733 0.0733 0.0733 0.0733 0.0733 0.0733 0.0733 0.7317 0.0733 0.0733 1.5106 0.0733 0.0733 0.0733 0.0733 0.0733 0.0733 0.0733 1.2683 0.0733 0.0733 0.0733 0.0733 0.0733 0.0733 0.0733 equol sulfate 0.0028 0.0028 0.0028 0.0028 0.0028 0.0028 0.0028 0.0028 0.0028 0.0028 0.0028 0.0028 1 0.0028 0.0028 2.3978 0.0028 0.0028 0.0028 0.0028 0.0028 0.0028 0.0028 6.5817 0.0028 0.0028 0.0028 0.0028 0.0028 0.0028 0.0028 ergothioneine 0.3736 0.4602 0.3077 0.3454 0.257 0.6375 1.0324 0.2876 0.34 0.3376 0.2555 0.3344 1.1368 0.2913 0.3423 0.6413 1.3706 0.9861 1.0139 1.4816 1.206 1.1784 1.2769 4.2342 3.2231 6.5129 4.9017 4.3229 15.0137 2.9332 5.1557 erythritol 0.6916 0.8252 0.9959 1.1606 0.9347 1.2411 1.1193 1.5635 1.0116 1.208 0.7977 1.2721 1.183 0.9398 1.0041 1.0419 1.14 1.5841 1.2522 0.681 1.2785 1.3045 1.3473 0.5936 0.524 0.2357 0.3269 0.5097 0.1783 0.7141 0.0426 ferulate 0.8345 1.167 0.7257 0.8626 1.1748 1.1813 1.763 0.9342 0.7803 0.6984 1.247 0.7923 2.5711 0.8512 0.6684 2.9547 0.8381 1.4216 1.6502 1.1598 1.1099 1.4729 1.5437 9.0335 1.0003 0.9867 0.9472 0.8846 0.8412 0.9997 0.2003 ferulic acid 4-sulfate 0.9718 1.4744 1.3972 1.1025 1.0393 1.1864 1.1958 1.0367 1.2524 1.0463 1 0.8524 1.5628 0.688 0.9821 1.0875 1.2101 1.1245 1.0366 0.716 0.7676 0.8959 1.2352 0.3669 0.6702 0.2961 0.4341 0.6206 0.1679 0.9638 0.0769 feruloylputrescine 1.1221 1.3982 0.924 0.9876 1.4486 1.1327 1.1663 9.6473 1.0893 0.9175 0.9776 2.636 0.0223 1 1.0643 0.0223 1.4951 1.1926 1.3505 0.6043 1.3057 1.1624 0.9439 0.0417 0.8527 0.868 0.8156 0.8127 0.4595 1.1343 0.156 ferulylglycine (1) 1.0193 1.7524 2.179 1.2161 1.1161 2.6607 0.962 1.0325 2.1815 2.1411 0.6639 0.6938 1.0719 0.4945 2.0659 0.8739 0.4607 2.2667 0.5114 0.9807 0.7203 0.6903 0.6352 0.1377 1.068 0.1377 0.2039 0.8076 0.1377 1.357 0.1377 ferulylglycine (2) 0.9408 0.6126 0.9835 0.5071 0.5409 2.0436 1.602 1.4613 1.9514 1.3573 0.3267 0.3267 0.5631 0.3267 2.803 1.2707 0.3267 1.2805 0.3267 0.6042 0.3267 0.3267 0.3267 0.3267 0.7712 0.3267 0.3267 0.3267 0.3267 1.0165 0.3267 formononetin 0.5518 0.4249 1.0994 1.1775 0.296 0.3871 0.254 0.2662 1.132 1.2003 0.1515 0.1386 2.8096 0.1404 0.224 6.3132 0.6707 1.3425 0.5725 2.8767 19.6934 1.0037 0.9963 12.2967 4.0594 1.4017 1.3411 1.7494 3.7509 0.7476 0.1357 galactarate (mucic acid) 0.6539 0.9434 1.794 1.9527 1.4393 0.71 1.8375 1.2558 0.5518 2.7638 1.1999 0.5904 2.0007 1.3572 0.592 0.0317 1.629 0.6007 1.1239 1.0566 0.5465 1.406 0.7973 0.1096 0.1796 0.2387 0.3569 1.8028 0.0593 1.5838 0.0317 genistein 0.6818 0.7307 0.9562 0.7004 0.7039 0.7433 0.7847 0.7602 1.4119 1.0624 0.7509 0.6583 6.3651 0.6206 0.9128 6.6916 0.9979 0.9234 2.0475 3.004 0.762 1.5416 1.0762 10.0812 3.0925 3.5826 3.2739 2.8202 4.0901 3.7117 1.0021 gluconate 0.8354 1.0704 1.0483 1.06 1.0122 0.973 1.2614 1.0793 0.9339 1.0231 1.0985 0.9999 1.0144 0.9043 1.0001 0.076 1.1084 1.0323 1.1426 0.6805 1.0539 1.4076 1.117 0.0668 0.5091 0.2767 0.4592 0.4764 0.0811 0.7317 0.0069 glycitein 0.6037 0.6709 1.1208 0.7799 0.5171 0.8206 0.7495 0.8308 1.332 1.0563 0.666 0.842 6.8166 0.5133 0.8299 9.0088 1.0976 0.9437 1.9613 1.9969 0.6968 1.1664 0.871 28.8582 1.8864 2.0658 2.0397 1.8729 1.8912 2.3779 0.2401 glycitin 0.8213 0.8456 0.9416 1.0593 0.8547 1.0084 0.9069 0.7906 0.991 1.0792 0.6996 0.8861 2.0003 0.6574 0.7165 2.6333 1.0199 1.3172 0.7884 1.2489 0.878 1.3094 1.5893 4.4717 1.1173 1 1.0076 1.2543 0.7784 1.2682 0.2162 indolin-2-one 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 methyl glucopyranoside (alpha + beta) 1.0778 0.6964 0.6001 0.3268 0.9862 0.7846 0.4687 0.3268 0.6834 0.3268 1.059 0.3268 0.3268 0.7269 1.0655 1.0138 0.3268 0.3268 0.7014 1.6642 0.8041 1.1156 0.5591 1.3103 2.4952 2.2688 2.7058 5.3268 1.9455 1.9289 0.7884 methyl indole-3-acetate 0.113 0.1758 0.113 0.1799 0.2291 0.2766 0.151 0.113 0.1237 0.113 0.113 0.113 0.113 0.1276 0.113 0.3953 1.1789 2.191 1.441 1.0594 2.247 1.2919 2.7137 0.9561 1 1.0451 1.3749 1.4388 0.4687 1.0765 0.113 naringenin 0.7709 0.6948 0.8954 0.7583 0.6361 0.7488 0.6825 0.6514 1.2982 1.2669 0.7978 1.0031 5.6169 0.7911 1.1634 5.4563 0.9969 0.9346 1.598 1.1935 0.4107 1.0146 1.051 16.6279 1.4592 1.4228 1.2875 1.1742 0.9932 1.7158 0.1218 naringenin 7-glucuronide 1 1.1131 1.1592 1.2276 0.9566 1.2155 1.251 1.0253 1.1088 1.2504 0.8192 1.0189 0.7645 0.8987 1.3584 0.8884 0.9889 1.0705 1.139 0.7512 1.0294 0.9701 1.3426 0.2671 0.6805 0.3949 0.4163 0.5833 0.1575 1.029 0.0201 N-glycolylneuraminate 0.9278 2.0658 1.5133 1.23 2.1733 1.3962 0.2091 1.005 1.1367 1.174 0.8233 0.663 11.3187 0.7372 1 1.5274 0.4621 0.2619 0.4828 0.6596 0.2091 0.6376 0.2091 4.7429 1.7235 0.836 0.2091 1.2508 2.1032 0.7887 0.6103 nicotianamine 0.9754 1.0237 1.056 1.0338 0.94 1.0869 0.9389 1.0196 0.869 1.0539 1.0376 1.1296 1.0399 1.01 0.9827 1.0091 1.0499 0.999 1.0797 0.5087 1.0641 1.001 1.0293 0.5385 0.3691 0.1787 0.2634 0.2998 0.0554 0.6458 0.0039 O-sulfo-L-tyrosine 1.3142 2.3651 0.9397 0.7659 0.9604 1.296 2.0119 1.5345 1.5108 1.2977 0.808 0.8282 1.6703 0.42 1.2936 0.0898 0.6965 1.9216 0.6808 1.0137 0.6107 1.0625 1.0086 0.363 1.9725 0.9101 0.9718 1.3797 0.9914 1.5495 0.627 pheophorbide A 1.329 1.4815 1.2686 1.1219 1.1449 1.3512 1.1808 1.1473 1.2996 1.1819 0.928 1.0013 1.4498 0.9987 1.2602 1.4073 1.1575 0.9167 0.8238 0.6688 1.0116 0.9529 0.7157 0.3211 0.329 0.4919 0.3827 0.3818 0.497 0.4386 0.4086 pyrraline 0.9544 0.8856 1.0995 1.1092 0.8666 1.2196 2.2611 1.0438 0.8742 1.0971 1.4284 1.1454 1.0002 0.784 1.1295 0.892 0.9443 1.8722 1.3612 0.9998 1.6553 1.1735 1.6909 1.0409 0.8551 0.9888 0.7236 0.6689 0.6631 0.7659 0.0979 quinate 1.0108 1.1056 1.0706 1.0698 1.1025 1.0671 1.0532 1.0996 0.9249 0.9828 1.1809 1.0391 1.1582 0.9915 0.9493 0.9191 1.0869 0.9992 1.0957 0.7689 1.0773 1.0008 1.0777 0.2808 0.6324 0.381 0.5716 0.5823 0.1722 0.8897 0.0112 S-(3-hydroxypropyl)mercapturic acid (HPMA) 0.6484 0.9137 1.2262 1.294 1.0276 0.8922 1.2477 1.1889 0.9921 1.184 0.7652 1.2257 1.4417 0.5135 1.0926 1.6892 1.7597 1.5884 1.1793 0.5882 1 1.6264 1.2667 0.8973 0.8948 0.3129 0.4747 0.5905 0.2032 0.6761 0.1533 salicylate 0.5214 0.459 0.6037 0.4429 0.5331 0.5741 0.5493 0.8318 0.8787 0.9922 0.6763 1.4035 1.8591 0.8749 0.786 1.8693 1.1645 1.1512 1.2383 0.8797 0.7622 0.8838 1.3196 3.7404 1.3553 1.1352 1.1886 1.4722 1.306 1.0078 1.2984 sinapate 0.7702 1 0.8889 1.1835 0.9232 0.8718 1.5581 0.7474 0.9673 1.0097 1.1097 0.8902 1.3439 0.6267 0.8271 5.751 0.9576 1.0944 1.5884 0.7933 0.9403 1.1738 1.005 14.876 1.0234 0.9711 0.6437 1.0365 0.262 1.1972 0.262 soyasaponin I 1.065 1.0097 1.0049 1.0952 0.8688 1.0338 1.2246 0.8869 1.0879 1.5059 0.7873 1.1033 0.8782 0.7813 1.6091 0.9527 0.9951 0.7754 1.2083 0.9129 0.7828 0.9121 1.4129 0.9694 0.8551 1.7258 1.1339 1.1893 0.9679 1.3507 0.354 soyasaponin II 1.1257 1.0255 0.9269 1.0112 0.8298 0.9123 1.3811 0.8989 1.0449 1.426 0.7665 1.1853 1.0439 0.8357 1.6085 0.9643 0.8675 0.785 1.1154 0.8979 0.798 0.8655 1.2986 1.2155 0.913 1.8003 1.0944 1.1201 0.9888 1.3181 0.3477 soyasaponin III 1.0687 0.9721 0.9044 0.9282 0.7364 0.8406 1.3792 0.823 1.0022 1.3398 0.6807 1.1279 1.0781 0.7737 1.5986 1.9755 0.834 0.7222 0.9978 0.9564 0.7108 0.8532 1.1581 4.9283 1.0152 2.0194 1.1929 1.2128 1.1446 1.3184 0.4161 stachydrine 0.4731 0.3932 0.4268 0.4154 0.5473 0.8735 0.6411 0.5176 0.3915 0.6471 0.5217 0.5683 0.7758 0.4835 0.5055 1.1656 1.3533 1.4203 1.7201 1.3726 1.4628 1.2926 1.2955 1.6273 1.4132 1.9925 3.0359 2.0862 1.1031 2.1698 0.8969 succinimide 0.9215 0.8186 0.8481 1.217 0.9623 1.358 1.3979 0.9976 0.9766 1.1715 1 1.2006 1.2257 1.0185 0.9934 2.0747 1.3272 1.7723 1.6421 0.8612 1.5047 1.3651 1.378 0.9398 0.6494 0.3388 0.4293 0.522 0.3309 0.8769 0.3309 sulfate 0.9299 0.9602 0.709 0.9432 0.7787 0.8598 1.2065 0.9024 0.7504 0.9216 0.6565 0.9284 3.7593 1.7646 1.1462 3.7337 0.7939 0.7318 0.6232 3.5811 0.858 1.0398 0.7637 9.6371 4.0835 6.5233 7.3837 6.5755 9.8491 3.0157 4.024 syringic acid 0.9101 0.8198 0.6487 1.2519 0.8301 1.0157 1.63 0.8117 0.7862 1.2474 1.3337 0.8278 1.0146 0.7042 1.5093 1.0712 0.7077 0.7177 1.2714 1.342 1.0212 0.9846 1.3634 4.4246 0.828 1.1079 0.7292 0.9854 0.483 1.0882 0.2548 tartarate 0.7084 1.1284 1.0123 1.2071 1.2055 0.8492 0.8106 0.9268 0.7892 1.3202 1.3273 1.2069 0.7717 1.0279 1 1.6296 1.0457 1.0464 1.0869 0.917 1.0273 1.0095 0.9601 1.5457 0.6854 0.5151 0.7804 0.7424 0.1194 0.8869 0.1824 tartronate (hydroxymalonate) 0.7917 1.0576 0.9099 0.9306 0.846 0.6485 0.9978 1.2067 0.6823 1.1269 1.1981 1.0022 0.4821 0.8361 1.1304 1.0254 1.0148 0.6611 0.971 1.1204 0.8007 1.2249 0.9113 2.0113 1.067 1.1122 1.4611 1.5885 0.473 1.3186 0.4377 vanillin sulfate 1.4656 0.9847 0.7322 1.5927 1.5336 1.3927 1.4707 1.3428 1.3026 1.7817 1.305 1.8093 0.7789 1.4427 1.4797 1 0.978 1.2547 0.8038 0.3106 1.4075 0.9643 1.2944 0.1178 0.2251 0.0932 0.1466 0.2302 0.0609 0.4492 0.0246 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name 1-methylguanidine 1-methylhistidine 1-methylimidazoleacetate 2-(4-hydroxyphenyl)propionate 2-aminoadipate 2-aminobutyrate 2-hydroxy-3-methylvalerate 2-hydroxybutyrate/2-hydroxyisobutyrate 2-methylbutyrylcarnitine (C5) 3-(4-hydroxyphenyl)lactate 3-hydroxyisobutyrate 3-methyl-2-oxobutyrate 3-methyl-2-oxovalerate 3-methylhistidine 3-sulfo-L-alanine 4-acetamidobutanoate 4-guanidinobutanoate 4-hydroxycinnamate 4-hydroxycinnamate sulfate 4-hydroxyglutamate 4-hydroxyphenylacetate 4-hydroxyphenylpyruvate 4-imidazoleacetate 4-methyl-2-oxopentanoate 4-methylthio-2-oxobutanoate 5-aminovalerate 5-hydroxylysine 5-methylthioadenosine (MTA) 5-oxoproline alanine alpha-hydroxyisocaproate alpha-hydroxyisovalerate arginine argininosuccinate asparagine aspartate beta-citrylglutamate betaine carboxyethyl-GABA cis-urocanate citrulline creatine creatinine cystathionine cysteine cysteine s-sulfate cysteine sulfinic acid cysteinylglycine cystine dimethylarginine (SDMA + ADMA) dimethylglycine ethylmalonate formiminoglutamate gamma-aminobutyrate (GABA) gentisate glutamate glutamate, gamma-methyl ester glutamine glutarate (pentanedioate) glutarylcarnitine (C5) glycine guanidinoacetate guanidinosuccinate histamine histidine homocitrulline homocysteine homogentisate hypotaurine imidazole lactate imidazole propionate indoleacetate indolelactate isobutyrylcarnitine isobutyrylglycine isoleucine isovalerate isovalerylcarnitine isovalerylglycine kynurenate kynurenine leucine lysine methionine methionine sulfoxide methylsuccinate N(1)-acetylspermine N1,N12-diacetylspermine N2,N6-diacetyllysine N2-acetyllysine N6,N6,N6-trimethyllysine N6-acetyllysine N6-carboxyethyllysine N6-formyllysine N-acetyl-1-methylhistidine N-acetyl-3-methylhistidine N-acetylalanine N-acetylarginine N-acetylasparagine N-acetylaspartate (NAA) N-acetyl-aspartyl-glutamate (NAAG) N-acetyl-cadaverine N-acetylcitrulline N-acetylcysteine N-acetylglutamate N-acetylglutamine N-acetylglycine N-acetylhistamine N-acetylhistidine N-acetylisoleucine N-acetylleucine N-acetylmethionine N-acetylmethionine sulfoxide N-acetylphenylalanine N-acetylproline N-acetylputrescine N-acetylserine N-acetyltaurine N-acetylthreonine N-acetyltryptophan N-acetyltyrosine N-acetylvaline N-alpha-acetylornithine N-delta-acetylornithine N-formylmethionine N-formylphenylalanine N-methyl-GABA N-methylglutamate N-methylproline N-monomethylarginine O-methyltyrosine ornithine p-cresol sulfate p-cresol-glucuronide phenylacetate phenylalanine phenyllactate (PLA) phenylpyruvate picolinate pipecolate pro-hydroxy-pro proline putrescine pyroglutamine S-1-pyrroline-5-carboxylate saccharopine sarcosine serine serotonin spermidine spermine taurine thioproline threonine trans-4-hydroxyproline trans-urocanate tryptamine tryptophan tyramine tyrosine urea valine xanthurenate 1,5-anhydroglucitol (1,5-AG) 2-ketogulonate 3-phosphoglycerate 3-sialyllactose arabinose arabitol/xylitol arabonate/xylonate erythronate fructose galactitol (dulcitol) galactonate glucose glucuronate glycerate isomaltose lactate lactobionate maltopentaose maltose maltotetraose maltotriose mannitol/sorbitol N6-carboxymethyllysine N-acetylglucosaminylasparagine N-acetylmuramate N-acetylneuraminate pyruvate raffinose ribonate ribose ribulose/xylulose sedoheptulose sucrose xylose 1-methylnicotinamide alpha-tocopherol alpha-tocopherol acetate alpha-tocotrienol bilirubin (Z,Z) biliverdin delta-tocopherol D-urobilin flavin mononucleotide (FMN) gamma-tocopherol/beta-tocopherol gamma-tocotrienol glucarate (saccharate) gulonate heme N1-Methyl-2-pyridone-5-carboxamide nicotinamide nicotinamide riboside nicotinate nicotinate ribonucleoside oxalate (ethanedioate) pantothenate pyridoxal pyridoxamine pyridoxate pyridoxine (Vitamin B6) quinolinate riboflavin (Vitamin B2) thiamin (Vitamin B1) threonate trigonelline (N'-methylnicotinate) 2-methylcitrate/homocitrate aconitate [cis or trans] alpha-ketoglutarate citraconate/glutaconate citrate fumarate isocitric lactone malate phosphate succinate succinylcarnitine tricarballylate 1-(1-enyl-oleoyl)-2-oleoyl-GPE (P-18:1/18:1) 1-(1-enyl-oleoyl)-GPE (P-18:1) 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4) 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)-GPC (P-16:0) 1-(1-enyl-palmitoyl)-GPE (P-16:0) 1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4) 1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2) 1-(1-enyl-stearoyl)-GPE (P-18:0) 1,2-dilinoleoyl-digalactosylglycerol (18:2/18:2) 1,2-dilinoleoyl-GPC (18:2/18:2) 1,2-dilinoleoyl-GPE (18:2/18:2) 1,2-dipalmitoyl-GPC (16:0/16:0) 1,2-distearoyl-GPC (18:0/18:0) 10-heptadecenoate (17:1n7) 10-hydroxystearate 10-nonadecenoate (19:1n9) 12,13-DiHOME 12-HETE 13-HODE + 9-HODE 13-methylmyristate 15-methylpalmitate 17-methylstearate 1-arachidonylglycerol (20:4) 1-dihomo-linolenylglycerol (20:3) 1-docosahexaenoylglycerol (22:6) 1-eicosapentaenoylglycerol (20:5) 1-lignoceroyl-GPC (24:0) 1-linolenoylglycerol (18:3) 1-linolenoyl-GPC (18:3) 1-linoleoylglycerol (18:2) 1-linoleoyl-GPC (18:2) 1-linoleoyl-GPE (18:2) 1-linoleoyl-GPG (18:2) 1-myristoylglycerol (14:0) 1-oleoyl-2-linoleoyl-GPC (18:1/18:2) 1-oleoyl-2-linoleoyl-GPE (18:1/18:2) 1-oleoylglycerol (18:1) 1-oleoyl-GPC (18:1) 1-oleoyl-GPE (18:1) 1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2) 1-palmitoleoyl-GPC (16:1) 1-palmitoyl-2-alpha-linolenoyl-GPC (16:0/18:3n3) 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4) 1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4) 1-palmitoyl-2-linoleoyl-digalactosylglycerol (16:0/18:2) 1-palmitoyl-2-linoleoyl-galactosylglycerol (16:0/18:2) 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) 1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) 1-palmitoyl-2-oleoyl-GPE (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) 1-palmitoyl-GPA (16:0) 1-palmitoyl-GPC (16:0) 1-palmitoyl-GPE (16:0) 1-palmitoyl-GPG (16:0) 1-palmitoyl-GPI (16:0) 1-palmitoyl-GPS (16:0) 1-pentadecanoylglycerol (15:0) 1-stearoyl-2-arachidonoyl-GPC (18:0/20:4) 1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) 1-stearoyl-2-linoleoyl-GPC (18:0/18:2) 1-stearoyl-2-linoleoyl-GPE (18:0/18:2) 1-stearoyl-2-oleoyl-GPC (18:0/18:1) 1-stearoyl-2-oleoyl-GPE (18:0/18:1) 1-stearoyl-2-oleoyl-GPS (18:0/18:1) 1-stearoyl-GPA (18:0) 1-stearoyl-GPC (18:0) 1-stearoyl-GPE (18:0) 1-stearoyl-GPG (18:0) 1-stearoyl-GPI (18:0) 1-stearoyl-GPS (18:0) 2-docosahexaenoylglycerol (22:6) 2-hydroxydecanoate 2-hydroxyglutarate 2-hydroxypalmitate 2-hydroxystearate 2-linoleoylglycerol (18:2) 2-myristoylglycerol (14:0) 2-oleoylglycerol (18:1) 2-palmitoleoylglycerol (16:1) 2-palmitoylglycerol (16:0) 2-palmitoyl-GPC (16:0) 2-stearoyl-GPE (18:0) 3-carboxyadipate 3-dehydrocholate 3-hydroxy-3-methylglutarate 3-hydroxybutyrate (BHBA) 3-hydroxydecanoate 3-hydroxyhexanoate 3-hydroxylaurate 3-hydroxyoctanoate 3-hydroxypalmitate 3-hydroxysebacate 3-ketosphinganine 4-cholesten-3-one 4-hydroxybutyrate (GHB) 5-dodecenoate (12:1n7) 7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) 7-ketodeoxycholate 9,10-DiHOME acetylcarnitine adrenate (22:4n6) alpha-muricholate arachidate (20:0) arachidonate (20:4n6) azelate (nonanedioate) behenate (22:0) beta-muricholate beta-sitosterol butyrylcarnitine butyrylglycine campesterol caprate (10:0) caproate (6:0) caprylate (8:0) carnitine chenodeoxycholate chiro-inositol cholate cholate sulfate cholesterol choline choline phosphate deoxycarnitine deoxycholate diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1]) dihomo-linoleate (20:2n6) dihomo-linolenate (20:3n3 or n6) docosadienoate (22:2n6) docosahexaenoate (DHA; 22:6n3) docosapentaenoate (n3 DPA; 22:5n3) docosapentaenoate (n6 DPA; 22:5n6) dodecanedioate eicosapentaenoate (EPA; 20:5n3) eicosenoate (20:1) erucate (22:1n9) glycerol glycerol 3-phosphate glycerophosphoethanolamine glycerophosphoglycerol glycerophosphoinositol glycerophosphorylcholine (GPC) heptanoate (7:0) hexadecanedioate hexanoylcarnitine hyocholate hyodeoxycholate isocaproate linoleate (18:2n6) linolenate [alpha or gamma; (18:3n3 or 6)] linoleoyl ethanolamide linoleoylcarnitine linoleoyl-linolenoyl-glycerol (18:2/18:3) [1] linoleoyl-linolenoyl-glycerol (18:2/18:3) [2] linoleoyl-linoleoyl-glycerol (18:2/18:2) [1] linoleoyl-linoleoyl-glycerol (18:2/18:2) [2] maleate malonate margarate (17:0) mevalonate mevalonolactone myo-inositol myristate (14:0) myristoleate (14:1n5) myristoleoylcarnitine myristoylcarnitine nervonate (24:1n9) N-oleoyltaurine nonadecanoate (19:0) N-palmitoylglycine N-palmitoyl-sphinganine (d18:0/16:0) N-palmitoyl-sphingosine (d18:1/16:0) N-stearoyl-sphingosine (d18:1/18:0) octanoylcarnitine oleate/vaccenate (18:1) oleoyl ethanolamide oleoylcarnitine oleoylcholine oleoyl-linoleoyl-glycerol (18:1/18:2) [1] oleoyl-linoleoyl-glycerol (18:1/18:2) [2] palmitate (16:0) palmitoleate (16:1n7) palmitoleoylcarnitine palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1] palmitoyl dihydrosphingomyelin (d18:0/16:0) palmitoyl ethanolamide palmitoyl sphingomyelin (d18:1/16:0) palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2] palmitoylcarnitine palmitoylcholine palmitoyl-linolenoyl-glycerol (16:0/18:3) [2] palmitoyl-linoleoyl-glycerol (16:0/18:2) [1] palmitoyl-linoleoyl-glycerol (16:0/18:2) [2] palmitoyl-oleoyl-glycerol (16:0/18:1) [2] pentadecanoate (15:0) phytosphingosine pinitol propionylcarnitine sebacate (decanedioate) sphinganine sphingomyelin (d18:1/14:0, d16:1/16:0) sphingomyelin (d18:1/15:0, d16:1/17:0) sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0) sphingomyelin (d18:1/20:0, d16:1/22:0) sphingomyelin (d18:1/24:1, d18:2/24:0) sphingomyelin (d18:2/16:0, d18:1/16:1) sphingomyelin (d18:2/24:1, d18:1/24:2) sphingosine stearate (18:0) stearidonate (18:4n3) stearoyl ethanolamide stearoyl sphingomyelin (d18:1/18:0) stearoylcarnitine stigmasterol suberate (octanedioate) suberoylcarnitine tauro-alpha-muricholate tauro-beta-muricholate taurochenodeoxycholate taurochenodeoxycholate sulfate taurocholate taurocholenate sulfate taurohyodeoxycholic acid tauroursodeoxycholate tetradecanedioate tricosanoyl sphingomyelin (d18:1/23:0) trimethylamine N-oxide undecanedioate valerate 1-methyladenine 1-methylguanine 2'-deoxyadenosine 2'-deoxyadenosine 5'-monophosphate 2'-deoxycytidine 2'-deoxycytidine 5'-monophosphate 2'-deoxyguanosine 2'-deoxyinosine 2'-deoxyuridine 3-ureidopropionate 5,6-dihydrothymine 5-methyl-2'-deoxycytidine 5-methyluridine (ribothymidine) 7-methylguanine 8-hydroxyguanine adenine adenosine adenosine 3',5'-cyclic monophosphate (cAMP) adenosine 5'-monophosphate (AMP) allantoin beta-alanine cytidine cytidine 2',3'-cyclic monophosphate cytidine 5'-monophosphate (5'-CMP) cytosine dihydroorotate guanine guanosine guanosine 5'- monophosphate (5'-GMP) hypoxanthine inosine methylphosphate N6,N6-dimethyladenosine N6-carbamoylthreonyladenosine N6-methyladenosine N6-succinyladenosine N-acetyl-beta-alanine N-carbamoylaspartate orotate orotidine pseudouridine thymidine thymidine 5'-monophosphate thymine uracil urate uridine xanthine xanthosine alanylleucine anserine carnosine gamma-glutamylalanine gamma-glutamylcysteine gamma-glutamyl-epsilon-lysine gamma-glutamylglutamate gamma-glutamylglutamine gamma-glutamylglycine gamma-glutamylhistidine gamma-glutamylisoleucine gamma-glutamylleucine gamma-glutamylmethionine gamma-glutamylphenylalanine gamma-glutamyltryptophan gamma-glutamyltyrosine gamma-glutamylvaline glutaminylleucine glycylisoleucine glycylleucine glycylvaline histidylalanine isoleucylglycine leucylalanine leucylglutamine leucylglycine lysylleucine N-acetylcarnosine phenylacetylglycine phenylalanylalanine phenylalanylglycine prolylglycine threonylphenylalanine tryptophylglycine tyrosylglycine valylglutamine valylglycine valylleucine 1-(3-aminopropyl)-2-pyrrolidone 1H-quinolin-2-one 1-kestose 2,3-dihydroxyisovalerate 2,8-quinolinediol 2,8-quinolinediol sulfate 2-isopropylmalate 2-keto-3-deoxy-gluconate 2-ketogluconate 2-oxindole-3-acetate 3,4-dihydroxybenzoate 3,5-dihydroxybenzoic acid 3-deoxyoctulosonate 3-hydroxypyridine sulfate 4-hydroxybenzoate 4-hydroxyhippurate 4-hydroxymandelate 4-vinylphenol sulfate afromosin apigenin benzoate beta-guanidinopropanoate biochanin A caffeic acid sulfate chrysoeriol coumaroylquinate (4) coumaroylquinate (5) coumestrol daidzein daidzein sulfate (1) daidzein sulfate (2) daidzin diaminopimelate digalacturonic acid dihydroferulic acid ectoine equol equol glucuronide equol sulfate ergothioneine erythritol ferulate ferulic acid 4-sulfate feruloylputrescine ferulylglycine (1) ferulylglycine (2) formononetin galactarate (mucic acid) genistein gluconate glycitein glycitin indolin-2-one methyl glucopyranoside (alpha + beta) methyl indole-3-acetate naringenin naringenin 7-glucuronide N-glycolylneuraminate nicotianamine O-sulfo-L-tyrosine pheophorbide A pyrraline quinate S-(3-hydroxypropyl)mercapturic acid (HPMA) salicylate sinapate soyasaponin I soyasaponin II soyasaponin III stachydrine succinimide sulfate syringic acid tartarate tartronate (hydroxymalonate) vanillin sulfate METABOLITES_END #END