#METABOLOMICS WORKBENCH araskind_20151218_9345241_mwtab.txt DATATRACK_ID:466 efahy_20151229_082718 STUDY_ID:ST000302 ANALYSIS_ID:AN000481 PROJECT_ID:PR000154 VERSION 1 CREATED_ON December 29, 2015, 8:27 am #PROJECT PR:PROJECT_TITLE Isocitrate dehydrogenase-1 and Glioma Studies PR:PROJECT_SUMMARY Isocitrate dehydrogenase-1 (IDH1)is overexpresed in gliomas and knockdown of PR:PROJECT_SUMMARY IDH1 leads to increased targeted therapy-induced cell death PR:INSTITUTE Northwestern University PR:DEPARTMENT Neurology PR:LABORATORY Stegh Lab PR:LAST_NAME Stegh PR:FIRST_NAME Alexander PR:ADDRESS Evanston, IL PR:EMAIL a-stegh@northwestern.edu PR:PHONE 312-503-2879 #STUDY ST:STUDY_TITLE Isocitrate dehydrogenase-1/Glioma Fluxomics Study ST:STUDY_SUMMARY Tumor neurospheres were grown in culture until ~90% confluent. Media was changed ST:STUDY_SUMMARY to contain 1mM acetate. After 24h, 0h time points were collected and media was ST:STUDY_SUMMARY changed on all other cells to 1mM 13C-acetate containing media. Cells were then ST:STUDY_SUMMARY collected at their various time points, 1, 3, 24, 48, or 72 hours. Cells were ST:STUDY_SUMMARY collected into 15mL tubes, spun down at 100xg for 1min and media aspirated. ST:STUDY_SUMMARY Pellet was washed (not resuspended) in 150mM ammonium acetate. This was then ST:STUDY_SUMMARY aspirated off and the cells snap frozen and stored at -80C until all time points ST:STUDY_SUMMARY complete to ship on dry ice. 0h, 1h, and 3h A, B, and C samples will have gTn by ST:STUDY_SUMMARY HILIC + TCA by GCMS done on them, while 0h, 1h, and 3h D, E, and F will have ST:STUDY_SUMMARY FAMES and DG & PC analysis done on them. 24h, 48h, and 72h A, B, and C samples ST:STUDY_SUMMARY will have FAMES analysis done on them. ST:INSTITUTE University of Michigan ST:DEPARTMENT Biomedical Research Core Facilities ST:LABORATORY Metabolomics core ST:LAST_NAME Kachman ST:FIRST_NAME Maureen ST:ADDRESS 6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714 ST:EMAIL mkachman@med.umich.edu ST:PHONE (734) 232-8175 ST:NUM_GROUPS 6 ST:TOTAL_SUBJECTS 54 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0011994 S00017833 Cell line:pLKO | Labelint time (hours):0 SUBJECT_SAMPLE_FACTORS SU0011994 S00017834 Cell line:pLKO | Labelint time (hours):0 SUBJECT_SAMPLE_FACTORS SU0011994 S00017835 Cell line:pLKO | Labelint time (hours):0 SUBJECT_SAMPLE_FACTORS SU0011994 S00017836 Cell line:pLKO | Labelint time (hours):0 SUBJECT_SAMPLE_FACTORS SU0011994 S00017837 Cell line:pLKO | Labelint time (hours):0 SUBJECT_SAMPLE_FACTORS SU0011994 S00017838 Cell line:pLKO | Labelint time (hours):0 SUBJECT_SAMPLE_FACTORS SU0011994 S00017839 Cell line:shIDH1 | Labelint time (hours):0 SUBJECT_SAMPLE_FACTORS SU0011994 S00017840 Cell line:shIDH1 | Labelint time (hours):0 SUBJECT_SAMPLE_FACTORS SU0011994 S00017841 Cell line:shIDH1 | Labelint time (hours):0 SUBJECT_SAMPLE_FACTORS SU0011994 S00017842 Cell line:shIDH1 | Labelint time (hours):0 SUBJECT_SAMPLE_FACTORS SU0011994 S00017843 Cell line:shIDH1 | Labelint time (hours):0 SUBJECT_SAMPLE_FACTORS SU0011994 S00017844 Cell line:shIDH1 | Labelint time (hours):0 SUBJECT_SAMPLE_FACTORS SU0011994 S00017845 Cell line:pLKO | Labelint time (hours):1 SUBJECT_SAMPLE_FACTORS SU0011994 S00017846 Cell line:pLKO | Labelint time (hours):1 SUBJECT_SAMPLE_FACTORS SU0011994 S00017847 Cell line:pLKO | Labelint time (hours):1 SUBJECT_SAMPLE_FACTORS SU0011994 S00017848 Cell line:pLKO | Labelint time (hours):1 SUBJECT_SAMPLE_FACTORS SU0011994 S00017849 Cell line:pLKO | Labelint time (hours):1 SUBJECT_SAMPLE_FACTORS SU0011994 S00017850 Cell line:pLKO | Labelint time (hours):1 SUBJECT_SAMPLE_FACTORS SU0011994 S00017851 Cell line:shIDH1 | Labelint time (hours):1 SUBJECT_SAMPLE_FACTORS SU0011994 S00017852 Cell line:shIDH1 | Labelint time (hours):1 SUBJECT_SAMPLE_FACTORS SU0011994 S00017853 Cell line:shIDH1 | Labelint time (hours):1 SUBJECT_SAMPLE_FACTORS SU0011994 S00017854 Cell line:shIDH1 | Labelint time (hours):1 SUBJECT_SAMPLE_FACTORS SU0011994 S00017855 Cell line:shIDH1 | Labelint time (hours):1 SUBJECT_SAMPLE_FACTORS SU0011994 S00017856 Cell line:shIDH1 | Labelint time (hours):1 SUBJECT_SAMPLE_FACTORS SU0011994 S00017857 Cell line:pLKO | Labelint time (hours):3 SUBJECT_SAMPLE_FACTORS SU0011994 S00017858 Cell line:pLKO | Labelint time (hours):3 SUBJECT_SAMPLE_FACTORS SU0011994 S00017859 Cell line:pLKO | Labelint time (hours):3 SUBJECT_SAMPLE_FACTORS SU0011994 S00017860 Cell line:pLKO | Labelint time (hours):3 SUBJECT_SAMPLE_FACTORS SU0011994 S00017861 Cell line:pLKO | Labelint time (hours):3 SUBJECT_SAMPLE_FACTORS SU0011994 S00017862 Cell line:pLKO | Labelint time (hours):3 SUBJECT_SAMPLE_FACTORS SU0011994 S00017863 Cell line:shIDH1 | Labelint time (hours):3 SUBJECT_SAMPLE_FACTORS SU0011994 S00017864 Cell line:shIDH1 | Labelint time (hours):3 SUBJECT_SAMPLE_FACTORS SU0011994 S00017865 Cell line:shIDH1 | Labelint time (hours):3 SUBJECT_SAMPLE_FACTORS SU0011994 S00017866 Cell line:shIDH1 | Labelint time (hours):3 SUBJECT_SAMPLE_FACTORS SU0011994 S00017867 Cell line:shIDH1 | Labelint time (hours):3 SUBJECT_SAMPLE_FACTORS SU0011994 S00017868 Cell line:shIDH1 | Labelint time (hours):3 SUBJECT_SAMPLE_FACTORS SU0011994 S00017869 Cell line:pLKO | Labelint time (hours):24 SUBJECT_SAMPLE_FACTORS SU0011994 S00017870 Cell line:pLKO | Labelint time (hours):24 SUBJECT_SAMPLE_FACTORS SU0011994 S00017871 Cell line:pLKO | Labelint time (hours):24 SUBJECT_SAMPLE_FACTORS SU0011994 S00017872 Cell line:shIDH1 | Labelint time (hours):24 SUBJECT_SAMPLE_FACTORS SU0011994 S00017873 Cell line:shIDH1 | Labelint time (hours):24 SUBJECT_SAMPLE_FACTORS SU0011994 S00017874 Cell line:shIDH1 | Labelint time (hours):24 SUBJECT_SAMPLE_FACTORS SU0011994 S00017875 Cell line:pLKO | Labelint time (hours):48 SUBJECT_SAMPLE_FACTORS SU0011994 S00017876 Cell line:pLKO | Labelint time (hours):48 SUBJECT_SAMPLE_FACTORS SU0011994 S00017877 Cell line:pLKO | Labelint time (hours):48 SUBJECT_SAMPLE_FACTORS SU0011994 S00017878 Cell line:shIDH1 | Labelint time (hours):48 SUBJECT_SAMPLE_FACTORS SU0011994 S00017879 Cell line:shIDH1 | Labelint time (hours):48 SUBJECT_SAMPLE_FACTORS SU0011994 S00017880 Cell line:shIDH1 | Labelint time (hours):48 SUBJECT_SAMPLE_FACTORS SU0011994 S00017881 Cell line:pLKO | Labelint time (hours):72 SUBJECT_SAMPLE_FACTORS SU0011994 S00017882 Cell line:pLKO | Labelint time (hours):72 SUBJECT_SAMPLE_FACTORS SU0011994 S00017883 Cell line:pLKO | Labelint time (hours):72 SUBJECT_SAMPLE_FACTORS SU0011994 S00017884 Cell line:shIDH1 | Labelint time (hours):72 SUBJECT_SAMPLE_FACTORS SU0011994 S00017885 Cell line:shIDH1 | Labelint time (hours):72 SUBJECT_SAMPLE_FACTORS SU0011994 S00017886 Cell line:shIDH1 | Labelint time (hours):72 #COLLECTION CO:COLLECTION_SUMMARY - CO:SAMPLE_TYPE Cultured cells #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME Fluxomics analysis protocol-2015-03-11.docx #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY GCMS(FAMES) CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Agilent 7890A CH:COLUMN_NAME Agilent DB5-MS (30m × 0.25mm, 0.25um) CH:METHODS_FILENAME BROWN141008.M #ANALYSIS AN:ANALYSIS_TYPE MS AN:SOFTWARE_VERSION EX00422-GC-FAMES-FLUX-Quant.m AN:ANALYSIS_PROTOCOL_FILE Fluxomics analysis protocol-2015-03-11.docx #MS MS:MS_COMMENTS - MS:INSTRUMENT_TYPE Single quadrupole MS:MS_TYPE EI MS:ION_MODE POSITIVE MS:INSTRUMENT_NAME Agilent 5975C MS:INSTRUMENT_NAME Agilent 5975C MS #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Area MS_METABOLITE_DATA_START Samples S00017836 S00017837 S00017838 S00017842 S00017843 S00017844 S00017848 S00017849 S00017850 S00017854 S00017855 S00017856 S00017860 S00017861 S00017862 S00017866 S00017868 S00017869 S00017870 S00017871 S00017872 S00017873 S00017874 S00017875 S00017876 S00017877 S00017878 S00017879 S00017880 S00017881 S00017882 S00017883 S00017884 S00017885 S00017886 Factors Cell line:pLKO | Labelint time (hours):0 Cell line:pLKO | Labelint time (hours):0 Cell line:pLKO | Labelint time (hours):0 Cell line:shIDH1 | Labelint time (hours):0 Cell line:shIDH1 | Labelint time (hours):0 Cell line:shIDH1 | Labelint time (hours):0 Cell line:pLKO | Labelint time (hours):1 Cell line:pLKO | Labelint time (hours):1 Cell line:pLKO | Labelint time (hours):1 Cell line:shIDH1 | Labelint time (hours):1 Cell line:shIDH1 | Labelint time (hours):1 Cell line:shIDH1 | Labelint time (hours):1 Cell line:pLKO | Labelint time (hours):3 Cell line:pLKO | Labelint time (hours):3 Cell line:pLKO | Labelint time (hours):3 Cell line:shIDH1 | Labelint time (hours):3 Cell line:shIDH1 | Labelint time (hours):3 Cell line:pLKO | Labelint time (hours):24 Cell line:pLKO | Labelint time (hours):24 Cell line:pLKO | Labelint time (hours):24 Cell line:shIDH1 | Labelint time (hours):24 Cell line:shIDH1 | Labelint time (hours):24 Cell line:shIDH1 | Labelint time (hours):24 Cell line:pLKO | Labelint time (hours):48 Cell line:pLKO | Labelint time (hours):48 Cell line:pLKO | Labelint time (hours):48 Cell line:shIDH1 | Labelint time (hours):48 Cell line:shIDH1 | Labelint time (hours):48 Cell line:shIDH1 | Labelint time (hours):48 Cell line:pLKO | Labelint time (hours):72 Cell line:pLKO | Labelint time (hours):72 Cell line:pLKO | Labelint time (hours):72 Cell line:shIDH1 | Labelint time (hours):72 Cell line:shIDH1 | Labelint time (hours):72 Cell line:shIDH1 | Labelint time (hours):72 FA_14:0_Me 212834 178643 132775 206943 173022 264599 142665 201310 581080 331634 152993 239727 214946 79747 106045 269457 194868 51404 117731 91519 193610 78820 95217 173714 171125 198135 126374 157410 87644 147986 210589 104329 284651 286611 168717 FA_14:0_Me_13C_1 1359 666 206 636 766 442 2241 852 3061 1001 399 1006 359 1181 3596 2209 5535 3349 2956 7614 7718 10744 6609 8118 4366 6723 9432 4984 14770 13616 9877 FA_14:0_Me_13C_2 138 26 122 447 748 481 266 893 606 641 1745 784 1339 2945 2315 15352 38875 31281 67214 30535 36579 75193 81930 99086 41393 51831 30281 46227 75504 38158 47340 49107 28197 FA_14:0_Me_13C_3 467 189 486 76 1949 4018 2281 4958 2881 3200 5965 5761 6456 2354 3615 1969 3206 4802 2630 3212 3853 1661 FA_14:0_Me_13C_4 4441 1297 1722 3909 2468 17906 38768 33921 44510 22102 24381 40253 43444 53709 19996 22606 13384 16708 33963 17896 17599 19001 10836 FA_14:0_Me_13C_5 415 120 368 780 727 1866 3524 3254 3922 1852 2362 3070 3520 3557 1855 2140 1307 964 3172 1281 1629 1242 891 FA_14:0_Me_13C_6 5654 2399 3191 7106 4410 15475 28690 26047 27411 14594 16589 21845 23436 29641 13010 11866 6407 6261 17266 10897 10312 9574 6164 FA_14:0_Me_13C_7 1122 550 1401 2692 2611 3319 3127 4334 4138 3719 3694 3258 5006 3755 3304 2723 2524 2173 3308 3060 3039 2061 4422 FA_14:0_Me_13C_8 5259 1773 2885 7721 4896 8675 17322 16801 14493 9305 7654 11284 11300 15155 7089 6775 3452 3580 10102 4999 6666 6416 3655 FA_14:0_Me_13C_9 1883 1345 2377 2510 2197 1623 1095 1903 2459 1846 912 1296 2335 1750 1163 1554 1197 1635 FA_14:0_Me_13C_10 3290 1459 2796 6589 4775 4585 7813 6901 7874 5421 4589 4487 6173 6888 3851 4030 2532 2645 4397 2847 3050 3212 3093 FA_16:0_Me 6365575 5493058 4117293 7958537 6201454 9926418 4671689 6890874 16700629 11652476 5842847 8814173 7395639 2740040 3690800 11439789 8205932 1998084 4808211 3929503 8669426 4119100 4619864 5503735 5410689 5979690 5008701 6266440 3526903 4711034 6055412 3061716 9247002 9378385 5895113 FA_16:0_Me_13C_1 50697 44746 25843 59345 35297 97137 22681 48857 180312 113396 41464 65773 59655 11886 19847 93030 65772 23217 91800 61663 242699 93413 115085 231919 193723 265920 239149 294654 163264 204778 331874 154276 493818 523725 307084 FA_16:0_Me_13C_2 682 1229 3094 5472 6253 13162 7845 277 5139 25840 11210 14157 35445 21908 336364 914207 686089 1826973 848371 1013654 1877207 1836274 2277573 1406238 1885341 1063370 1398514 2268648 1162527 1842129 2013939 1190857 FA_16:0_Me_13C_3 722 1323 1129 455 230 813 613 1527 1749 698 198 1450 4881 1648 3259 5430 2704 39644 97153 79663 166192 85179 92760 159395 148696 198681 126707 166054 87348 100106 192168 96393 153579 165363 97653 FA_16:0_Me_13C_4 3281 5017 11722 6125 3122 5330 45421 18135 23523 52355 33559 432653 1011205 879702 1311205 714064 798555 1134925 1181230 1482069 861863 1038624 592908 655167 1337692 707507 913241 954445 576292 FA_16:0_Me_13C_5 438 564 3045 1142 360 894 6294 2314 3274 9293 5898 45256 99885 90339 122036 69375 72810 91674 96026 131844 86494 95874 52045 44963 117527 57822 90735 85806 50669 FA_16:0_Me_13C_6 6006 8333 21469 13818 7278 11707 68115 26762 34294 93935 62867 397866 841781 802771 900217 536966 546523 690357 718581 940518 612668 670645 385078 336419 829289 451570 618386 609472 376494 FA_16:0_Me_13C_7 846 1450 3726 3142 806 2826 8466 3549 3963 15113 10279 36480 81305 78112 84134 53791 51087 57520 63216 85950 57992 63867 31726 26859 71216 38465 60040 57875 36170 FA_16:0_Me_13C_8 8296 11459 30398 23386 10722 19981 73231 26223 36215 124207 89609 277440 562099 573394 594528 370652 347554 417243 420215 572785 421824 425207 242580 180791 484289 266682 429803 402345 256330 FA_16:0_Me_13C_9 953 1330 4531 3988 1953 3225 8869 3043 4077 16696 12645 25951 48874 49926 58748 37410 31519 33878 36226 52389 39857 39090 21469 13671 40707 23130 45023 39267 25552 FA_16:0_Me_13C_10 8303 11457 31600 31526 13122 24277 58577 20855 27263 122367 94324 152133 312293 315454 354787 221905 192327 222813 220885 309135 246521 236981 129480 91006 247272 133796 270482 237835 156509 FA_16:1_Me 231214 197720 144391 332849 254254 438338 160377 243714 733056 508242 233262 392092 190764 104890 137507 548803 396923 105042 254410 209848 525298 226044 253231 275056 261630 321105 211522 275329 140536 227416 260097 124094 418891 435789 248013 FA_16:1_Me_13C_1 549 711 734 83 1221 1771 1763 36 7815 15527 3214 3899 2551 4512 2124 2573 5406 2646 5813 2678 7288 4875 3598 6328 4774 11583 7899 4038 FA_16:1_Me_13C_2 651 927 624 1425 972 1965 1131 638 7569 15486 12361 30013 13736 18365 34059 31794 47266 27624 36369 19190 24956 49730 23458 42267 48114 27549 FA_16:1_Me_13C_3 131 1525 2156 3354 2454 3466 4493 2804 2298 2647 3628 3200 80 3386 2862 FA_16:1_Me_13C_4 8067 15738 13679 19135 9230 13859 22060 23044 34052 20553 24065 13187 14066 37229 17124 23259 25617 13657 FA_16:1_Me_13C_5 811 2520 1803 3287 1066 1447 2642 1774 3359 2563 3246 1711 1130 3664 2951 3644 2846 2009 FA_16:1_Me_13C_6 5681 11692 13020 14301 8904 10822 14623 15735 23767 14978 15881 8952 7611 25363 12771 16671 20649 10980 FA_16:1_Me_13C_7 1143 1011 1676 2643 1088 930 1641 1592 1881 1900 1138 870 66 2174 1170 2159 2407 859 FA_16:1_Me_13C_8 4534 9373 9737 10962 6648 6532 9735 9818 15509 11278 11941 6575 5078 15277 7686 12008 13903 7994 FA_16:1_Me_13C_9 257 1333 692 1403 843 1147 653 1026 1459 1120 1355 400 32 1488 1122 1786 1984 1027 FA_16:1_Me_13C_10 827 1616 1297 583 185 504 701 1113 1874 931 825 3832 1743 4597 2102 9495 8510 4665 FA_18:0_Me 11992390 10720032 8444689 15755304 12939912 19170950 9454631 13168635 26987540 21797963 12533016 17277036 13925904 5807002 7865909 21024020 16428243 4869602 10252436 8498185 16301363 9268212 10204836 10562523 10064631 11239134 9817563 11739371 7262831 9360490 10418730 6230133 17076489 17234069 11801366 FA_18:0_Me_13C_1 48909 47557 18913 98254 64173 89450 39769 30224 241562 153198 50536 112525 62989 30735 35454 162351 72789 51093 117217 113481 317205 147651 176080 303282 273488 363203 374542 457677 262621 319756 480817 260857 847185 784320 525683 FA_18:0_Me_13C_2 9326 4217 1675 8164 29728 55014 94750 82761 48875 57543 181482 74221 96059 249377 196014 624962 1373148 1117857 2513154 1407740 1552778 2833088 2639476 3359574 2465152 3064513 1955315 2456190 3729968 2264705 3389857 3659593 2407192 FA_18:0_Me_13C_3 1340 1616 2040 839 2656 1315 4839 1541 2190 3039 2781 2262 3566 3146 49972 107562 91480 193912 116030 123706 224569 191901 258170 207810 266232 153136 175868 303286 178926 277116 292191 189899 FA_18:0_Me_13C_4 1991 432 92 706 4225 4376 9045 6949 3687 5002 42807 21131 26318 43063 27406 529881 1094038 959351 1460943 949289 1026694 1568694 1552290 2041278 1409393 1636023 1047888 1127162 2221245 1376026 1602045 1719498 1106458 FA_18:0_Me_13C_5 6784 3740 4090 8339 4642 60984 121588 111532 163306 102944 103255 160041 146653 202317 154874 165422 102301 96130 218038 127213 177999 169032 111914 FA_18:0_Me_13C_6 5694 7307 13526 8965 5214 7524 59572 30298 39610 68802 45274 554051 1010220 987732 1033042 763075 751780 1049775 1037054 1411731 1076875 1110723 706414 623262 1508807 953313 1129785 1155335 749749 FA_18:0_Me_13C_7 778 1141 2378 1373 940 1341 9529 4186 5865 14096 9427 59783 115728 112960 114610 85854 78697 101227 101455 148384 117871 116330 72612 53994 151990 92358 110378 111956 79272 FA_18:0_Me_13C_8 8196 9383 19707 13834 8432 12860 76466 34057 45922 100254 69072 452393 783605 795454 764173 566429 523216 680506 679621 957781 792886 756412 478628 356088 963074 611368 817932 778281 534960 FA_18:0_Me_13C_9 1246 1800 2701 3080 1616 2795 9841 3733 5940 17701 12405 42390 75651 81655 76995 61921 53566 68538 62330 99709 85931 77200 47200 32479 89733 57080 82457 77087 56228 FA_18:0_Me_13C_10 9056 11838 23687 22592 12223 19354 61913 31421 41276 116610 80452 277923 497291 532506 492149 388396 323978 414176 397704 578965 521221 474573 296119 193196 545941 353856 527626 481855 352808 FA_18:1_Me 3444965 3147426 2560811 4637912 3975396 5459412 2828833 3682321 6891124 6118706 3932490 5205639 3950795 1969511 2531623 6269816 5023543 1880871 3544944 3100422 5603939 3473652 3808979 3616411 3515917 3916187 3407345 4053611 2667703 3362068 3458819 2143561 5440244 5375553 3975228 FA_18:1_Me_13C_1 54144 56413 31721 87166 73830 130105 43569 62726 188543 148720 67889 122769 61262 26648 37185 155169 116247 23583 61561 53908 163838 65852 90366 109223 86881 112321 103127 124871 101525 108747 132378 79416 255346 229670 161020 FA_18:1_Me_13C_2 38943 28531 24418 112240 80479 45912 25022 44971 23634 108664 75684 125375 52719 21964 32243 152171 115894 122312 221593 196111 342545 257853 294601 445495 438438 526483 472261 593690 391732 477958 664956 401704 353150 464551 487641 FA_18:1_Me_13C_3 1688 5133 3280 3376 16275 2811 1432 9832 6474 7208 5374 5686 2957 5718 13574 4299 7732 10857 16224 23165 22437 21504 40591 29346 46278 30686 46551 33411 34211 61412 44687 83967 62420 49413 FA_18:1_Me_13C_4 71816 123733 117808 103965 109893 126711 225657 224654 231683 242150 262612 196306 203052 411125 266715 229022 296030 230182 FA_18:1_Me_13C_5 11196 15904 17878 18597 12486 15728 28911 20955 45795 30953 37138 18737 20529 46898 33552 6647 17283 25629 FA_18:1_Me_13C_6 73287 114296 121540 92867 87276 94215 154248 153393 215445 191115 194189 137334 115554 282770 196244 112053 160836 155201 FA_18:1_Me_13C_7 8787 14989 16132 4344 13670 11862 21019 15713 25012 23539 25339 18354 11533 38491 22464 34298 28994 18569 FA_18:1_Me_13C_8 59514 88430 99588 67340 66213 68386 106159 96964 150755 144121 109741 99355 66568 194996 134000 131188 141172 116003 FA_18:1_Me_13C_9 7475 11127 13496 9380 10479 9231 10986 8798 20423 19774 19750 11848 7379 22874 13845 8897 8671 16315 FA_18:1_Me_13C_10 40198 61375 67622 56206 49626 45765 63983 58854 93337 98096 86825 62008 36578 110337 78473 53173 102090 79572 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Full Name PubChem CID FA_14:0_Me Myristic acid 11005 FA_14:0_Me_13C_1 Myristic acid 11005 FA_14:0_Me_13C_2 Myristic acid 11005 FA_14:0_Me_13C_3 Myristic acid 11005 FA_14:0_Me_13C_4 Myristic acid 11005 FA_14:0_Me_13C_5 Myristic acid 11005 FA_14:0_Me_13C_6 Myristic acid 11005 FA_14:0_Me_13C_7 Myristic acid 11005 FA_14:0_Me_13C_8 Myristic acid 11005 FA_14:0_Me_13C_9 Myristic acid 11005 FA_14:0_Me_13C_10 Myristic acid 11005 FA_16:0_Me Palmitic acid 985 FA_16:0_Me_13C_1 Palmitic acid 985 FA_16:0_Me_13C_2 Palmitic acid 985 FA_16:0_Me_13C_3 Palmitic acid 985 FA_16:0_Me_13C_4 Palmitic acid 985 FA_16:0_Me_13C_5 Palmitic acid 985 FA_16:0_Me_13C_6 Palmitic acid 985 FA_16:0_Me_13C_7 Palmitic acid 985 FA_16:0_Me_13C_8 Palmitic acid 985 FA_16:0_Me_13C_9 Palmitic acid 985 FA_16:0_Me_13C_10 Palmitic acid 985 FA_16:1_Me Palmitoleic acid 445638 FA_16:1_Me_13C_1 Palmitoleic acid 445638 FA_16:1_Me_13C_2 Palmitoleic acid 445638 FA_16:1_Me_13C_3 Palmitoleic acid 445638 FA_16:1_Me_13C_4 Palmitoleic acid 445638 FA_16:1_Me_13C_5 Palmitoleic acid 445638 FA_16:1_Me_13C_6 Palmitoleic acid 445638 FA_16:1_Me_13C_7 Palmitoleic acid 445638 FA_16:1_Me_13C_8 Palmitoleic acid 445638 FA_16:1_Me_13C_9 Palmitoleic acid 445638 FA_16:1_Me_13C_10 Palmitoleic acid 445638 FA_18:0_Me Stearic acid 5281 FA_18:0_Me_13C_1 Stearic acid 5281 FA_18:0_Me_13C_2 Stearic acid 5281 FA_18:0_Me_13C_3 Stearic acid 5281 FA_18:0_Me_13C_4 Stearic acid 5281 FA_18:0_Me_13C_5 Stearic acid 5281 FA_18:0_Me_13C_6 Stearic acid 5281 FA_18:0_Me_13C_7 Stearic acid 5281 FA_18:0_Me_13C_8 Stearic acid 5281 FA_18:0_Me_13C_9 Stearic acid 5281 FA_18:0_Me_13C_10 Stearic acid 5281 FA_18:1_Me Oleic acid 445639 FA_18:1_Me_13C_1 Oleic acid 445639 FA_18:1_Me_13C_2 Oleic acid 445639 FA_18:1_Me_13C_3 Oleic acid 445639 FA_18:1_Me_13C_4 Oleic acid 445639 FA_18:1_Me_13C_5 Oleic acid 445639 FA_18:1_Me_13C_6 Oleic acid 445639 FA_18:1_Me_13C_7 Oleic acid 445639 FA_18:1_Me_13C_8 Oleic acid 445639 FA_18:1_Me_13C_9 Oleic acid 445639 FA_18:1_Me_13C_10 Oleic acid 445639 METABOLITES_END #END