#METABOLOMICS WORKBENCH kpaglia_20210106_101309 DATATRACK_ID:2381 STUDY_ID:ST001643 ANALYSIS_ID:AN002688 PROJECT_ID:PR001051 VERSION 1 CREATED_ON January 11, 2021, 2:49 pm #PROJECT PR:PROJECT_TITLE Deletion of the diabetes candidate gene Slc16a13 in mice PR:PROJECT_SUMMARY The metabolome of plasma and liver lysates of Slc16a13 knockout mice was PR:PROJECT_SUMMARY analyzed. Genome-wide association studies identified SLC16A13 as novel target PR:PROJECT_SUMMARY gene in type 2 diabetes. The SLC16A13 gene encodes for SLC16A13/MCT13, a member PR:PROJECT_SUMMARY of the solute carrier 16 family of monocarboxylate transporters. So far, biology PR:PROJECT_SUMMARY and physiological function of SLC16A13 is unknown. Deletion of Slc16a13 is PR:PROJECT_SUMMARY hypothezised to affect intrahepatocellular monocarboxylate availability, that PR:PROJECT_SUMMARY drives increased oxidative phosphorylation, while reducing hepatic lipid PR:PROJECT_SUMMARY content, thereby attenuating hepatic insulin resistance. PR:INSTITUTE West Coast Metabolomics Center - UC Davis PR:LAST_NAME Birkenfeld PR:FIRST_NAME Andreas PR:ADDRESS Ottfried-Müller Str. 10 72076 Tübingen PR:EMAIL Andreas.Birkenfeld@med.uni-tuebingen.de PR:PHONE +49(0)7071 84 20257 #STUDY ST:STUDY_TITLE Deletion of the diabetes candidate gene Slc16a13 in mice ST:STUDY_SUMMARY The metabolome of plasma and liver lysates of Slc16a13 knockout mice was ST:STUDY_SUMMARY analyzed. Genome-wide association studies identified SLC16A13 as novel target ST:STUDY_SUMMARY gene in type 2 diabetes. The SLC16A13 gene encodes for SLC16A13/MCT13, a member ST:STUDY_SUMMARY of the solute carrier 16 family of monocarboxylate transporters. So far, biology ST:STUDY_SUMMARY and physiological function of SLC16A13 is unknown. Deletion of Slc16a13 is ST:STUDY_SUMMARY hypothezised to affect intrahepatocellular monocarboxylate availability, that ST:STUDY_SUMMARY drives increased oxidative phosphorylation, while reducing hepatic lipid ST:STUDY_SUMMARY content, thereby attenuating hepatic insulin resistance. ST:INSTITUTE West Coast Metabolomics Center - UC Davis ST:DEPARTMENT Klinik für Diabetologie, Endokrinologie, Nephrologie ST:LABORATORY Institut für Diabetesforschung und Metabolische Erkrankungen (IDM) ST:LAST_NAME Birkenfeld ST:FIRST_NAME Andreas ST:ADDRESS Ottfried-Müller Str. 10 72076 Tübingen ST:EMAIL Andreas.Birkenfeld@med.uni-tuebingen.de ST:PHONE +49(0)7071 84 20257 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS mouse liver L1_013 Treatment:KO RAW_FILE_NAME=190204cadsa02_1 SUBJECT_SAMPLE_FACTORS mouse liver L2_014 Treatment:KO RAW_FILE_NAME=190204cadsa18_1 SUBJECT_SAMPLE_FACTORS mouse liver L3_015 Treatment:KO RAW_FILE_NAME=190204cadsa21_1 SUBJECT_SAMPLE_FACTORS mouse liver L4_016 Treatment:KO RAW_FILE_NAME=190204cadsa12_1 SUBJECT_SAMPLE_FACTORS mouse liver L5_017 Treatment:KO RAW_FILE_NAME=190204cadsa19_1 SUBJECT_SAMPLE_FACTORS mouse liver L6_018 Treatment:KO RAW_FILE_NAME=190204cadsa01_1 SUBJECT_SAMPLE_FACTORS mouse liver L10_022 Treatment:WT RAW_FILE_NAME=190204cadsa23_1 SUBJECT_SAMPLE_FACTORS mouse liver L11_023 Treatment:WT RAW_FILE_NAME=190204cadsa11_1 SUBJECT_SAMPLE_FACTORS mouse liver L12_024 Treatment:WT RAW_FILE_NAME=190204cadsa14_1 SUBJECT_SAMPLE_FACTORS mouse liver L7_019 Treatment:WT RAW_FILE_NAME=190204cadsa15_1 SUBJECT_SAMPLE_FACTORS mouse liver L8_020 Treatment:WT RAW_FILE_NAME=190204cadsa09_1 SUBJECT_SAMPLE_FACTORS mouse liver L9_021 Treatment:WT RAW_FILE_NAME=190204cadsa17_1 SUBJECT_SAMPLE_FACTORS mouse plasma P1_001 Treatment:KO RAW_FILE_NAME=190204cadsa24_1 SUBJECT_SAMPLE_FACTORS mouse plasma P2_002 Treatment:KO RAW_FILE_NAME=190204cadsa13_1 SUBJECT_SAMPLE_FACTORS mouse plasma P3_003 Treatment:KO RAW_FILE_NAME=190204cadsa08_1 SUBJECT_SAMPLE_FACTORS mouse plasma P4_004 Treatment:KO RAW_FILE_NAME=190204cadsa06_1 SUBJECT_SAMPLE_FACTORS mouse plasma P5_005 Treatment:KO RAW_FILE_NAME=190204cadsa04_1 SUBJECT_SAMPLE_FACTORS mouse plasma P6_006 Treatment:KO RAW_FILE_NAME=190204cadsa16_1 SUBJECT_SAMPLE_FACTORS mouse plasma P10_010 Treatment:WT RAW_FILE_NAME=190204cadsa10_1 SUBJECT_SAMPLE_FACTORS mouse plasma P11_011 Treatment:WT RAW_FILE_NAME=190204cadsa05_1 SUBJECT_SAMPLE_FACTORS mouse plasma P12_012 Treatment:WT RAW_FILE_NAME=190204cadsa07_1 SUBJECT_SAMPLE_FACTORS mouse plasma P7_007 Treatment:WT RAW_FILE_NAME=190204cadsa22_1 SUBJECT_SAMPLE_FACTORS mouse plasma P8_008 Treatment:WT RAW_FILE_NAME=190204cadsa20_1 SUBJECT_SAMPLE_FACTORS mouse plasma P9_009 Treatment:WT RAW_FILE_NAME=190204cadsa03_1 #COLLECTION CO:COLLECTION_SUMMARY Mice were euthanized and plasma was collected thereafter. Liver was collected CO:COLLECTION_SUMMARY and frozen in LN2 CO:SAMPLE_TYPE Liver #TREATMENT TR:TREATMENT_SUMMARY mouse liver and plasma, wildtype and KO #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Mice were euthanized and plasma was collected thereafter. Liver was collected SP:SAMPLEPREP_SUMMARY and frozen in LN2 #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY A 30 m long, 0.25 mm i.d. Rtx-5Sil MS column (0.25 μm 95% dimethyl 5% diphenyl CH:CHROMATOGRAPHY_SUMMARY polysiloxane film) with additional 10 m integrated guard column is used (Restek, CH:CHROMATOGRAPHY_SUMMARY Bellefonte PA). 99.9999% pure Helium with built-in purifier (Airgas, Radnor PA) CH:CHROMATOGRAPHY_SUMMARY is set at constant flow of 1 ml/min. The oven temperature is held constant at CH:CHROMATOGRAPHY_SUMMARY 50°C for 1 min and then ramped at 20°C/min to 330°C at which it is held CH:CHROMATOGRAPHY_SUMMARY constant for 5 min. CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Leco Pegasus IV CH:COLUMN_NAME Rtx-5Sil MS column #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Leco Pegasus IV TOF MS:INSTRUMENT_TYPE GC-TOF MS:MS_TYPE EI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS Injector conditions: Agilent 6890 GC is equipped with a Gerstel automatic liner MS:MS_COMMENTS exchange system (ALEX) that includes a multipurpose sample (MPS2) dual rail, and MS:MS_COMMENTS a Gerstel CIS cold injection system (Gerstel, Muehlheim, Germany) with MS:MS_COMMENTS temperature program as follows: 50°C to 275°C final temperature at a rate of MS:MS_COMMENTS 12 °C/s and hold for 3 minutes. Injection volume is 0.5 μl with 10 μl/s MS:MS_COMMENTS injection speed on a splitless injector with purge time of 25 seconds. Liner MS:MS_COMMENTS (Gerstel #011711-010-00) is changed after every 10 samples, (using the Maestro1 MS:MS_COMMENTS Gerstel software vs. 1.1.4.18). Before and after each injection, the 10 μl MS:MS_COMMENTS injection syringe is washed three times with 10 μl ethyl acetate. Gas MS:MS_COMMENTS Chromatography conditions: A 30 m long, 0.25 mm i.d. Rtx-5Sil MS column (0.25 MS:MS_COMMENTS μm 95% dimethyl 5% diphenyl polysiloxane film) with additional 10 m integrated MS:MS_COMMENTS guard column is used (Restek, Bellefonte PA). 99.9999% pure Helium with built-in MS:MS_COMMENTS purifier (Airgas, Radnor PA) is set at constant flow of 1 ml/min. The oven MS:MS_COMMENTS temperature is held constant at 50°C for 1 min and then ramped at 20°C/min to MS:MS_COMMENTS 330°C at which it is held constant for 5 min. Mass spectrometer settings: A MS:MS_COMMENTS Leco Pegasus IV time of flight mass spectrometer is controlled by the Leco MS:MS_COMMENTS ChromaTOF software vs. 2.32 (St. Joseph, MI). The transfer line temperature MS:MS_COMMENTS between gas chromatograph and mass spectrometer is set to 280°C. Electron MS:MS_COMMENTS impact ionization at 70V is employed with an ion source temperature of 250°C. MS:MS_COMMENTS Acquisition rate is 17 spectra/second, with a scan mass range of 85-500 Da. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS counts per second MS_METABOLITE_DATA_START Samples L1_013 L2_014 L3_015 L4_016 L5_017 L6_018 L10_022 L11_023 L12_024 L7_019 L8_020 L9_021 P1_001 P2_002 P3_003 P4_004 P5_005 P6_006 P10_010 P11_011 P12_012 P7_007 P8_008 P9_009 Factors Treatment:KO Treatment:KO Treatment:KO Treatment:KO Treatment:KO Treatment:KO Treatment:WT Treatment:WT Treatment:WT Treatment:WT Treatment:WT Treatment:WT Treatment:KO Treatment:KO Treatment:KO Treatment:KO Treatment:KO Treatment:KO Treatment:WT Treatment:WT Treatment:WT Treatment:WT Treatment:WT Treatment:WT xylose 268 1488 659 306 264 587 422 723 249 430 306 377 209 1063 209 302 176 193 171 207 302 241 284 230 xylitol 3536 6296 4400 5716 5938 5427 3272 4392 5665 1020 5959 4115 471 530 560 1038 1723 471 246 1009 548 324 434 1611 xanthosine 912 1054 1082 1458 642 1158 1673 1304 1401 965 1033 682 271 311 196 158 188 611 219 248 308 257 240 186 xanthine 5049 7606 1588 8791 4932 7436 5906 7107 12265 3896 7586 6146 207 390 107 354 149 346 538 150 148 157 222 238 valine 36346 65349 12701 67927 74402 76837 12806 67807 81533 99640 70816 58506 9466 31632 21494 40073 6708 5604 26655 22522 4769 17461 21828 14209 uridine 7345 15588 14820 11885 11818 10275 12327 13213 16418 10887 10415 13334 570 593 268 247 361 583 324 314 458 552 510 394 uric acid 1284 455 1196 1062 702 644 804 1123 481 295 1579 2303 337 832 927 1156 423 1202 4262 714 723 639 828 1045 urea 300060 377977 531739 366376 515924 401143 496635 462192 128801 464474 396896 346242 296469 399092 264415 425734 213893 162815 281259 450159 232908 249286 387977 337689 uracil 5217 20359 13095 1839 3495 3594 2283 13330 9979 2464 3326 3388 533 436 660 1039 732 1705 1990 978 925 794 1397 525 UDP-N-acetylglucosamine 311 798 388 491 335 346 409 625 164 427 420 584 282 270 67 99 155 238 53 174 195 208 166 94 UDP-glucuronic acid 903 576 847 740 417 965 521 2103 657 1201 927 2078 226 220 141 138 336 453 137 167 282 257 277 221 tyrosine 15058 34364 28185 14739 15876 15683 21301 18238 22872 16885 16621 17064 1866 3256 5298 11028 1227 2084 6151 4597 1535 2247 3394 2384 thymine 395 1670 1321 334 363 422 242 1172 230 267 457 381 181 244 155 219 180 329 139 224 185 250 273 175 threonine 2245 10571 7293 8107 6744 8162 6516 10432 12855 4143 4631 7046 1065 2538 3287 3856 777 500 3338 1906 513 1736 1866 1797 threonic acid 9274 5394 15303 5477 4823 7263 20219 9791 2678 11434 5956 4879 522 1877 1826 2266 583 854 3080 2472 1310 450 732 1843 taurine 34000 59226 158829 123547 165950 80905 94578 98544 62196 115194 64492 127277 128 229 76 399 62 165 343 171 210 124 146 155 sucrose 2537 22946 4456 803 553 1686 367 5662 610 781 1287 3586 841 848 390 289 417 725 248 464 396 280 765 290 succinic acid 2815 2522 4257 6504 4417 2297 2739 2924 1167 4597 4230 4490 308 2991 1476 3230 1658 2613 4844 2111 1345 1200 2007 1838 squalene 5660 2626 11696 5394 4326 16555 28188 37311 9282 11554 6005 9773 3781 3499 974 1125 3881 3985 1133 2053 3734 2067 1527 1333 sorbitol 7289 7256 9853 9465 5320 3807 7496 5129 13685 1054 6608 9593 829 1461 1180 1009 770 1279 1068 1118 926 1004 920 705 sophorose 520 102 550 470 423 499 538 444 922 669 271 355 118 207 75 84 119 134 88 127 191 157 188 118 shikimic acid 2783 12593 1539 24437 7470 12723 5846 11542 9180 6803 7942 3095 1279 1345 1638 874 2817 2878 1056 1768 3058 1541 2284 1679 serotonin 819 865 1001 704 1073 473 989 386 324 478 545 538 3780 875 4765 2916 6506 7326 3006 692 2954 2358 2723 8376 serine 8167 22673 15840 8355 5838 6794 13909 11584 18553 9423 7199 9615 2254 2258 3516 6986 1446 2554 4412 2847 1426 2708 2582 1862 saccharic acid 819 1349 1179 838 759 919 685 756 723 565 753 1090 218 301 163 296 316 344 153 226 445 222 148 223 ribose 24278 31899 31407 27439 29498 47112 31612 31409 79246 27024 23733 21509 813 610 487 617 535 628 664 803 664 1008 1033 859 ribonic acid 653 704 908 860 746 682 561 769 3680 1030 876 582 157 873 86 84 111 137 72 118 196 222 344 173 ribitol 1999 2242 969 1928 2042 2042 2542 2181 6292 1375 1029 1478 193 210 156 345 203 316 172 242 306 222 198 389 raffinose 7398 4761 456 3465 2624 4424 1647 4973 9170 2266 3960 5329 177 301 184 109 206 468 115 156 378 164 310 185 pyruvic acid 168 86 201 363 331 672 192 586 286 362 264 1107 314 352 854 975 313 482 434 450 225 511 197 213 pyrophosphate 37793 31509 41918 20746 24193 43679 36018 25856 32035 63613 46368 23900 38679 63995 47177 9914 26268 39318 47972 9592 74971 146597 91628 30299 pseudo uridine 720 1864 1809 1182 667 1869 1436 1643 446 1617 1868 1611 296 566 916 807 167 321 669 621 558 566 774 468 proline 1826 7175 2109 5413 5939 8404 5477 8291 11080 7305 5415 4939 999 1137 1746 1717 285 633 1157 672 786 749 1234 314 phosphoethanolamine 2315 3592 18752 2712 3734 3142 4628 2724 1859 3994 2998 2687 421 608 376 314 428 564 323 395 688 516 419 517 phosphate 471243 255228 291401 203553 230792 235975 280355 278317 186326 228457 292756 225649 219957 107493 194133 131656 261061 351298 146961 178892 271388 212661 167878 264950 phenylalanine 12436 28193 22861 12980 13533 10150 17128 18071 20849 11365 12548 14128 1674 2641 1555 5329 1442 2024 3678 3204 1328 1980 1209 2200 pentadecanoic acid 21002 1310 22411 20070 1822 24442 19401 17620 18606 23780 19598 5982 7007 3346 6058 6674 7970 7072 4197 7878 4017 5526 5707 4107 parabanic acid 1473 2211 2480 9175 1925 10163 4763 2903 804 6430 5347 4189 395 1294 694 550 483 1225 540 691 710 469 553 908 panose 1150 5526 4545 2898 4949 4992 2329 2792 9614 2926 3218 7540 356 412 106 129 188 477 111 150 228 414 312 233 palmitoleic acid 6539 2303 3207 1996 1955 1263 1578 1682 5073 1762 1468 3543 5575 1964 3153 3948 4265 4340 2425 2046 3740 7220 1516 3672 palmitic acid 319767 190295 219615 164177 259335 191474 199860 163728 338989 233548 180998 173603 198416 155783 110501 122848 188019 112125 77185 124928 160107 119428 94542 131158 oxoproline 141142 199814 332508 178304 163242 159360 231712 222748 109670 149699 172110 270406 12291 28959 22235 25988 12839 13531 29962 26300 12711 11720 16371 24577 ornithine 1077 5462 1315 940 840 886 1448 1798 764 869 689 1970 1974 2899 2836 5472 1390 1166 4910 4655 1759 2268 2734 2141 oleic acid 7732 2326 2765 1098 2328 1664 1406 448 2872 3419 1471 2251 3780 1514 1420 952 1990 3143 192 1517 2030 2308 1056 902 nicotinamide 105800 98311 145829 89197 120085 115866 152425 134013 68100 121062 112732 98441 1160 564 609 848 569 1432 896 679 675 781 457 875 n-acetyl-d-hexosamine 4072 3338 3609 1484 3480 5216 1985 4105 5073 1695 3301 609 218 263 161 152 160 179 157 115 123 181 140 144 myristic acid 4498 5262 7962 3388 5396 5647 4283 7025 4556 6051 10230 5203 10092 6137 4385 6524 7087 8200 3881 9430 6724 8003 3202 5338 myo-inositol 12720 23316 16439 9067 14597 10163 11959 16675 11017 11024 12327 15392 1950 3444 2673 4432 2574 2623 7567 3670 3205 1599 599 3468 methyl O-D-galactopyranoside 1450 9872 3156 900 616 967 724 4855 954 671 806 1320 205 234 1228 1021 645 556 174 1368 377 925 1124 252 methionine sulfoxide 3831 6607 5466 3856 1931 4270 6494 4765 6321 3949 4172 3959 1511 2258 1674 2048 885 1488 1619 1333 1167 1509 1431 1828 methionine 834 2400 1152 874 1470 1058 248 1174 1921 546 832 970 301 320 1005 779 310 277 943 391 125 384 828 472 methanolphosphate 148345 87178 115061 58393 79856 72752 71273 75063 45974 80423 90618 60072 74019 17476 58066 21900 77383 106905 35584 34693 72951 72753 53664 59289 mannose 66193 62283 74594 51403 56597 77146 42763 61001 128259 41166 45431 50029 3182 3873 6057 5999 1153 1999 4038 5008 3836 2545 4944 3580 maltose 135768 94533 83547 64011 107204 82160 53189 80858 345658 72928 67011 142196 1399 1675 730 539 2017 2423 610 698 1109 841 801 450 malic acid 6133 11240 7136 7941 9242 5845 5208 11601 9160 7162 7837 8677 442 1535 744 1147 166 542 2610 621 515 698 785 690 maleimide 2489 3385 696 1775 1238 2977 2920 2532 2158 1684 2568 1633 9523 4502 7200 3720 10424 4345 14539 33831 3931 4401 1854 4069 lyxitol 669 2187 1203 1810 830 2604 1375 1134 589 1771 1987 1664 413 711 633 356 186 332 391 383 306 476 596 389 lysine 1037 12522 3192 2621 2362 2398 2622 4353 1569 1283 1472 4955 4720 11366 12179 26946 2298 1999 6910 12676 3851 5680 5573 5990 linoleic acid 14246 7436 6984 5116 5896 4439 5651 5366 17584 6242 5524 5433 11581 3982 7728 4782 11267 7287 5573 6005 7761 13310 6501 5280 leucine 103419 177913 106488 98004 109194 115732 122789 141212 156003 144227 99865 97865 9239 22665 18629 36624 6723 9227 25475 21102 5865 14567 15025 12911 lactulose 1500 937 2055 1390 1425 1276 995 1285 1795 1121 1189 1104 477 250 179 108 220 464 157 184 243 299 716 240 lactic acid 161040 165525 87134 247923 219321 246523 267827 280314 103812 243159 226066 252229 22918 114055 73990 88669 53898 10215 146328 80653 46376 30614 89059 75209 isoleucine 40838 65260 46313 43146 44018 45615 58740 50484 54870 59227 48490 44426 3922 11084 10337 15785 3738 4786 14185 4500 2529 5038 8774 6886 isohexonic acid 1134 1197 435 660 759 919 315 1211 723 565 753 953 506 598 163 222 316 344 153 226 445 222 148 246 inositol-4-monophosphate 18970 10753 12661 6944 9857 10099 7426 8793 8063 10936 9565 7225 852 1673 2087 1306 4529 5337 924 1754 2165 1634 1189 3002 inosine 19293 17603 21804 19481 15729 23158 19696 19609 19880 14436 22086 13801 172 501 360 369 283 460 512 107 294 260 327 312 indole-3-lactate 389 401 360 470 289 341 449 335 380 472 465 255 613 699 767 663 402 441 1157 938 715 580 735 807 hypoxanthine 11740 20672 5192 13765 10643 18325 14177 17111 35522 10537 16417 12316 256 537 335 522 378 742 830 297 394 201 324 406 hippuric acid 189 641 296 4842 197 5461 2462 1024 147 3022 4405 2492 139 287 177 133 186 249 91 89 252 212 151 287 heptadecanoic acid 9974 6872 7654 5144 5264 5966 7263 4562 7634 2331 5903 5371 7218 7158 2228 6251 1120 8777 3888 6361 6585 7865 3084 4157 guanosine 953 327 829 478 563 743 513 653 841 436 417 582 150 181 86 77 127 154 89 81 124 215 181 168 guanine 391 1480 1273 160 166 275 163 1250 136 230 269 321 160 186 70 58 165 140 71 85 101 176 189 197 glycine 17487 20584 24033 14001 27958 16239 24820 21484 22016 23522 16302 22450 2613 6811 3799 9370 2001 1671 3744 4793 1329 1837 2901 2327 glycerol-alpha-phosphate 10744 8079 9384 14008 6389 12729 8833 10380 3294 8559 13235 11188 1694 1972 1819 1540 3010 1987 1075 1453 1630 1913 1681 1950 glycerol 284820 244070 163479 235961 240523 242491 230750 233618 180307 202639 231405 165570 92429 85820 97080 84882 108008 40789 79103 102277 53553 88065 89059 60363 glyceric acid 951 2594 1654 1211 1099 1718 1967 2481 911 1426 871 1006 503 778 543 783 467 723 436 711 577 715 620 586 glutamine 15822 22032 20657 19022 15569 16758 26074 14186 5849 16764 12394 29892 2987 4582 12883 20759 1622 1970 16513 10591 2386 1730 3587 6148 glutamic acid 4349 25620 18526 10159 8879 4427 12621 13344 28311 7024 8410 16222 732 1998 935 2429 726 1127 2157 1375 759 811 1677 1080 glucose-6-phosphate 974 1038 285 1274 495 1784 367 1770 304 412 468 1876 165 120 84 114 110 176 156 99 158 135 175 194 glucose-1-phosphate 2357 3146 3335 5325 3018 4404 2327 3759 2761 3709 3405 2960 327 1157 588 487 445 734 814 627 720 629 915 589 glucose 659584 841152 955051 1018404 901283 847985 752530 913075 695609 898569 950681 966871 41181 53762 84165 101836 42018 37644 92588 86999 75990 54033 88932 52571 gluconic acid 507 623 562 380 308 533 438 631 871 308 451 552 180 410 94 101 93 120 115 159 148 177 146 149 fumaric acid 4137 15946 8330 9370 11994 8357 7493 8160 8502 9921 8560 11006 1438 1480 1039 1201 1354 1610 1904 1482 1168 1298 1611 1386 fucose 612 727 701 326 381 456 485 784 363 553 326 270 435 352 145 234 253 357 340 247 191 358 252 224 fructose-6-phosphate 589 446 183 643 366 1075 241 1091 555 324 383 803 228 326 97 153 189 196 115 149 162 201 122 147 fructose 5440 11083 6476 4607 4201 9660 2590 6676 20958 4386 3985 3777 806 694 644 792 547 684 873 810 637 652 665 558 ethanolamine 21401 21737 36006 14979 14896 21051 26083 21283 20552 4472 19972 15235 4298 5449 4051 5411 4052 5719 5417 4413 3821 4166 4773 3872 ethanol phosphate 1674 4904 508 1930 1031 1787 1005 863 1047 615 1295 606 471 890 279 350 430 835 168 396 721 489 476 335 erythronic acid lactone 1443 1337 3123 1753 1540 1887 3544 2560 888 2315 2321 361 240 417 268 191 311 455 403 181 205 297 363 270 erythritol 841 1205 1318 3008 1138 4128 2964 1800 613 3163 2556 1830 251 579 480 365 277 302 435 388 276 473 492 592 epsilon-caprolactam 1200 510 523 391 593 950 315 422 446 747 565 451 491 721 725 1670 605 1303 442 11375 733 1268 1129 415 dodecanol 1854 1164 2699 1156 1856 3279 1799 1711 1010 1831 1367 1109 1864 2037 947 849 1546 1443 670 910 1758 1068 1307 937 docosahexaenoic acid 8533 4488 5117 4145 4902 4365 3947 4499 4482 3446 4117 3604 6521 2018 3971 3721 4221 5772 2062 2686 4989 5617 2593 2774 dehydroascorbic acid 4986 12578 3602 12968 12964 15882 4068 9156 8091 4900 11820 12751 512 1017 597 487 794 804 466 521 659 719 528 669 cytosin 268 1449 1242 572 323 348 381 918 242 356 375 247 279 292 204 147 163 287 151 210 240 238 410 217 creatinine 3663 7035 2871 15859 2530 863 2187 2332 3422 4441 18967 2244 718 3155 3785 7543 2232 951 565 356 534 903 812 661 creatine 6040 1867 1641 16994 12696 24094 13207 10410 4551 14990 20069 9805 2849 6269 718 8573 2553 3170 11280 4391 3532 4081 4022 3992 citric acid 754 4702 1636 1397 1933 1543 1596 1619 864 805 658 4621 7197 15548 23617 26460 5579 3034 24142 25903 9652 7466 18927 12931 cis-gondoic acid 769 476 926 516 786 512 313 324 831 600 422 295 798 419 495 782 1067 695 316 569 849 850 594 662 bisphosphoglycerol 891 582 1067 784 921 1115 865 1012 815 786 645 825 421 451 258 155 257 712 222 174 375 483 507 327 beta-glycerolphosphate 1250 901 828 276 758 1757 791 1253 1005 943 1957 995 424 432 403 495 769 926 168 326 906 552 547 588 beta-alanine 1461 1316 4361 893 1701 1252 2443 1208 931 688 1230 985 171 303 113 209 174 190 232 152 221 177 247 190 aspartic acid 3408 15900 7571 3171 5512 3561 5867 9785 7453 4613 2804 9262 1233 1154 848 1147 975 1356 1166 775 1292 1507 1175 953 arachidonic acid 58847 27771 10876 22736 15416 37466 29287 24759 86742 29731 35876 19659 30317 8216 23607 26108 34328 45031 13002 18643 28511 28450 22150 27058 aminomalonate 2127 4668 1409 3044 3955 1827 3649 3519 2549 2240 2650 3338 439 639 555 690 323 304 527 441 444 477 646 496 alpha-aminoadipic acid 200 342 404 300 286 211 311 232 198 205 311 330 203 231 234 175 176 382 165 162 181 219 156 141 allantoic acid 1616 1379 1917 2701 2526 3069 2760 1030 1614 2515 2340 1608 322 805 765 1439 356 402 862 749 313 288 982 836 alanine 87646 133951 55458 287113 206440 326091 275804 8480 214555 222710 235082 164959 6309 22472 21446 26130 5763 14284 32525 13531 7008 13231 18310 8926 adenosine-5-monophosphate 7793 10391 5022 8266 4936 3160 5957 15496 1854 4877 5174 11002 709 880 585 532 229 714 282 143 663 646 554 735 adenosine 3718 2204 4940 3271 4584 3806 5035 4703 1668 3138 4291 2764 362 364 642 197 122 500 183 247 508 389 502 510 acetophenone 126116 95365 89898 85024 82628 14778 123996 103743 55725 84312 94112 73377 113417 74147 53197 51953 84814 102692 42830 54330 75965 75861 77118 81314 4-methylbenzenesulfonamide 1007 2474 2723 2292 2001 2403 2660 2352 1983 2487 2068 1836 1983 2582 1457 1804 2202 2451 1251 2473 1987 1984 2254 1917 3-hydroxybutyric acid 72558 46316 36731 42612 49018 46780 41560 60150 24783 68790 56677 68032 40040 93944 60918 41514 20146 20349 63335 70091 43902 29574 72477 76032 2,5-dihydroxypyrazine 1642 5882 971 3089 2104 2147 2064 5196 800 2748 3234 6964 141 338 178 107 288 535 381 236 449 253 252 162 2,3-dihydroxybutanoic acid 201 173 429 288 220 389 376 413 189 228 374 227 215 477 413 350 184 210 355 452 292 178 382 337 2-monoolein 74911 6292 8512 7702 23059 7552 4067 7900 19644 13183 6907 41634 14066 3904 8221 6597 8811 9163 4913 6634 6663 14055 8443 9975 2-hydroxybutanoic acid 7253 8386 1542 6822 11530 7396 6824 7915 4161 9934 1038 6007 1837 5156 1423 4690 1529 1870 2803 2927 1824 1194 2398 2476 2-deoxytetronic acid 1106 1227 1804 1342 1073 2399 2124 1814 753 1732 1620 1626 1480 2637 1499 3023 937 983 2345 2423 1426 980 2243 1883 2-aminobutyric acid 2861 4417 12231 4505 6281 5676 4558 5229 4045 4609 4047 4566 835 2229 1318 1284 1161 1558 1251 793 921 1053 1271 1353 1,5-anhydroglucitol 2091 3358 4020 1697 1811 2234 3172 1133 1602 2861 4261 3024 1691 4208 2434 2704 1664 1460 3151 3758 2617 1415 3583 2459 1-monostearin 1899 1160 2586 2849 2396 4756 3605 2330 2406 3739 1666 1850 1560 6059 149 93 1235 1476 371 521 934 807 788 694 1-monopalmitin 1033 1515 4062 2099 1936 1363 1355 779 2817 3899 3610 1921 2559 882 855 1918 3529 2252 1122 1832 1639 1976 1843 1159 1-hexadecanol 1554 925 1699 1000 828 881 1032 860 779 1138 997 577 2246 2781 1569 1613 2016 3009 1105 2014 2896 2048 1989 1881 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG PubChem retention index quantitated m/z xylose C00181 135191 546699 307 xylitol C00379 6912 567437 217 xanthosine C01762 64959 926133 325 xanthine C00385 1188 701688 353 valine C00183 6287 313502 144 uridine C00299 6029 861508 217 uric acid C00366 1175 730691 441 urea C00086 1176 328888 189 uracil C00106 1174 385735 241 UDP-N-acetylglucosamine C00043 445675 625003 226 UDP-glucuronic acid C00167 17473 585473 217 tyrosine C00082 6057 671252 218 thymine C00178 1135 420133 255 threonine C00188 6288 409568 218 threonic acid C01620 5460407 497572 292 taurine C00245 1123 556690 326 sucrose C00089 5988 915139 271 succinic acid C00042 1110 370608 247 squalene C00751 638072 976237 95 sorbitol C00794 5780 667922 217 sophorose C08250 441432 962064 307 shikimic acid C00493 8742 611100 204 serotonin C00780 5202 863824 174 serine C00065 5951 395020 218 saccharic acid C00818 33037 699211 333 ribose C00121 5779 553135 217 ribonic acid C01685 5460677 597646 292 ribitol C00474 827 575497 217 raffinose C00492 439242 1120886 361 pyruvic acid C00022 1060 211003 174 pyrophosphate C00013 1023 327517 110 pseudo uridine C02067 15047 813899 217 proline C00148 145742 364523 142 phosphoethanolamine C00346 1015 604335 299 phosphate C00009 1004 345365 314 phenylalanine C00079 6140 537804 218 pentadecanoic acid C16537 13849 674647 117 parabanic acid C00802 67126 464991 100 panose 94448 1187262 204 palmitoleic acid C08362 445638 704511 311 palmitic acid C00249 985 713809 313 oxoproline C01879 7405 485935 156 ornithine C00077 6262 594878 174 oleic acid C00712 445639 781527 339 nicotinamide C00153 936 469827 179 n-acetyl-d-hexosamine C03878 24139 746341 319 myristic acid C06424 11005 634414 285 myo-inositol C00137 892 730022 305 methyl O-D-galactopyranoside C03619 94214 630836 204 methionine sulfoxide C02989 158980 637588 128 methionine C00073 6137 483560 176 methanolphosphate 13130 289520 241 mannose C00159 18950 645856 205 maltose C00208 439186 946601 204 malic acid C00711 525 463180 233 maleimide C07272 10935 245118 154 lyxitol C00532 439255 573587 217 lysine C00047 5962 662197 174 linoleic acid C01595 5280450 777414 150 leucine C00123 6106 345845 158 lactulose C07064 11333 929908 204 lactic acid C01432 612 217657 191 isoleucine C00407 6306 359251 158 isohexonic acid 604 698302 333 inositol-4-monophosphate C03546 440043 845976 315 inosine C00294 6021 897434 230 indole-3-lactate C02043 92904 764586 202 hypoxanthine C00262 790 619128 265 hippuric acid C01586 464 636836 206 heptadecanoic acid 10465 751309 117 guanosine C00387 6802 954962 324 guanine C00242 764 744307 352 glycine C00037 750 368707 248 glycerol-alpha-phosphate C03189 754 593299 357 glycerol C00116 753 344466 205 glyceric acid C00258 439194 377495 189 glutamine C00064 5961 600315 156 glutamic acid C00025 33032 529100 246 glucose-6-phosphate C01172 439427 810287 387 glucose-1-phosphate C00103 65533 594647 217 glucose C00221 64689 659798 319 gluconic acid C00800 6857417 693148 333 fumaric acid C00122 444972 390016 245 fucose C02095 439650 578299 160 fructose-6-phosphate C05345 440641 804279 315 fructose C02336 439709 639442 307 ethanolamine C00189 700 344719 174 ethanol phosphate 74190 317291 211 erythronic acid lactone C02341 5325915 407495 247 erythritol C00503 222285 471922 217 epsilon-caprolactam C06593 7768 353069 170 dodecanol C02277 8193 507619 243 docosahexaenoic acid C06429 445580 902819 91 dehydroascorbic acid C05422 440667 633423 173 cytosin C00380 597 486724 254 creatinine C00791 588 507768 115 creatine C00300 586 502071 115 citric acid C00158 311 617342 273 cis-gondoic acid C16526 5282768 847372 367 bisphosphoglycerol 102018 764660 299 beta-glycerolphosphate C02979 2526 574470 243 beta-alanine C00099 239 435564 248 aspartic acid C00049 5960 480387 232 arachidonic acid C00219 444899 837115 91 aminomalonate C00872 100714 455754 218 alpha-aminoadipic acid C00956 92136 573295 260 allantoic acid C00499 203 723539 259 alanine C00041 5950 243971 116 adenosine-5-monophosphate C00020 6083 1038688 169 adenosine C00212 60961 918039 236 acetophenone C07113 7410 238615 105 4-methylbenzenesulfonamide C14412 6269 609097 228 3-hydroxybutyric acid C01089 92135 278829 191 2,5-dihydroxypyrazine 23368901 397526 241 2,3-dihydroxybutanoic acid 250402 384796 292 2-monoolein 5319879 941794 129 2-hydroxybutanoic acid C05984 440864 258161 131 2-deoxytetronic acid 192742 390517 117 2-aminobutyric acid C02721 6657 286855 130 1,5-anhydroglucitol C07326 64960 633603 217 1-monostearin D01947 24699 959214 203 1-monopalmitin C01885 14900 901749 129 1-hexadecanol C00823 2682 679596 299 METABOLITES_END #END