#METABOLOMICS WORKBENCH amitch_20151006_9845301_mwtab.txt DATATRACK_ID:386 STUDY_ID:ST000250 ANALYSIS_ID:AN000395 PROJECT_ID:PR000202 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE The Role of Obesity and Adipocytes in Immune Activation on Antiretroviral PR:PROJECT_TYPE Clinical research PR:PROJECT_SUMMARY The goal of this study is the use metabolomics to probe the role of BCAA PR:PROJECT_SUMMARY in the apthogenisis of insulin-resistance associated with HIV-infection/ART. We PR:PROJECT_SUMMARY also quantify the plasma levels of 2-HBA in HIV-infected, ART -treated PR:PROJECT_SUMMARY These patients were substratified into obese or lean subjects PR:INSTITUTE Vanderbilt University PR:DEPARTMENT Division of Infectious Diseases PR:LAST_NAME Koethe PR:FIRST_NAME John PR:ADDRESS A2200-MCN, 1161 21st Ave South, Nashville, TN 37232-2582 PR:EMAIL john.r.koethe@vanderbilt.edu PR:PHONE 615-343-0533 PR:FUNDING_SOURCE National Institute of Allergy and Infectious Diseases #STUDY ST:STUDY_TITLE The Role of Obesity and Adipocytes in Immune Activation on Antiretroviral ST:STUDY_TYPE Observational, no intervention ST:STUDY_SUMMARY Cross-sectional, three arms ST:INSTITUTE University of Florida ST:DEPARTMENT SECIM ST:LAST_NAME Koethe ST:FIRST_NAME John ST:ADDRESS A2200-MCN, 1161 21st Ave South, Nashville, TN 37232-2582 ST:EMAIL john.r.koethe@vanderbilt.edu ST:PHONE 615-343-0533 ST:NUM_GROUPS 3 ST:TOTAL_SUBJECTS 100 patients, one sample per patient #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:SPECIES_GROUP Human #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - 509 HIV status:negative | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 515 HIV status:negative | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 516 HIV status:negative | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 517 HIV status:negative | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 520 HIV status:negative | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 523 HIV status:negative | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 524 HIV status:negative | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 527 HIV status:negative | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 501 HIV status:negative | Obesity:Yes | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 502 HIV status:negative | Obesity:Yes | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 503 HIV status:negative | Obesity:Yes | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 505 HIV status:negative | Obesity:Yes | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 513 HIV status:negative | Obesity:Yes | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 514 HIV status:negative | Obesity:Yes | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 521 HIV status:negative | Obesity:Yes | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 525 HIV status:negative | Obesity:Yes | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 533 HIV status:negative | Obesity:Yes | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 534 HIV status:negative | Obesity:Yes | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 507 HIV status:negative | Obesity:Yes | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 512 HIV status:negative | Obesity:Yes | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 528 HIV status:negative | Obesity:Yes | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 531 HIV status:negative | Obesity:Yes | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 506 HIV status:negative | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 508 HIV status:negative | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 510 HIV status:negative | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 511 HIV status:negative | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 518 HIV status:negative | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 519 HIV status:negative | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 530 HIV status:negative | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 532 HIV status:negative | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 23 HIV status:positive | Obesity:No | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 24 HIV status:positive | Obesity:No | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 3 HIV status:positive | Obesity:No | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 33 HIV status:positive | Obesity:No | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 34 HIV status:positive | Obesity:No | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 37 HIV status:positive | Obesity:No | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 41 HIV status:positive | Obesity:No | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 42 HIV status:positive | Obesity:No | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 58 HIV status:positive | Obesity:No | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 71 HIV status:positive | Obesity:No | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 43 HIV status:positive | Obesity:No | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 55 HIV status:positive | Obesity:No | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 60 HIV status:positive | Obesity:No | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 61 HIV status:positive | Obesity:No | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 13 HIV status:positive | Obesity:No | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 14 HIV status:positive | Obesity:No | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 27 HIV status:positive | Obesity:No | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 30 HIV status:positive | Obesity:No | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 35 HIV status:positive | Obesity:No | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 4 HIV status:positive | Obesity:No | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 1 HIV status:positive | Obesity:No | Sex:M | Race:O SUBJECT_SAMPLE_FACTORS - 16 HIV status:positive | Obesity:No | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 26 HIV status:positive | Obesity:No | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 31 HIV status:positive | Obesity:No | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 36 HIV status:positive | Obesity:No | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 5 HIV status:positive | Obesity:No | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 54 HIV status:positive | Obesity:No | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 57 HIV status:positive | Obesity:No | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 6 HIV status:positive | Obesity:No | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 67 HIV status:positive | Obesity:No | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 7 HIV status:positive | Obesity:No | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 8 HIV status:positive | Obesity:No | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 10 HIV status:positive | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 15 HIV status:positive | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 17 HIV status:positive | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 20 HIV status:positive | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 25 HIV status:positive | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 32 HIV status:positive | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 56 HIV status:positive | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 62 HIV status:positive | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 64 HIV status:positive | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 69 HIV status:positive | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 74 HIV status:positive | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 77 HIV status:positive | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 22 HIV status:positive | Obesity:Yes | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 45 HIV status:positive | Obesity:Yes | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 52 HIV status:positive | Obesity:Yes | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 66 HIV status:positive | Obesity:Yes | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 12 HIV status:positive | Obesity:Yes | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 39 HIV status:positive | Obesity:Yes | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 44 HIV status:positive | Obesity:Yes | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 48 HIV status:positive | Obesity:Yes | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 63 HIV status:positive | Obesity:Yes | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 65 HIV status:positive | Obesity:Yes | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 75 HIV status:positive | Obesity:Yes | Sex:M | Race:O SUBJECT_SAMPLE_FACTORS - 76 HIV status:positive | Obesity:Yes | Sex:M | Race:O SUBJECT_SAMPLE_FACTORS - 80 HIV status:positive | Obesity:Yes | Sex:M | Race:O SUBJECT_SAMPLE_FACTORS - 11 HIV status:positive | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 19 HIV status:positive | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 28 HIV status:positive | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 40 HIV status:positive | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 46 HIV status:positive | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 47 HIV status:positive | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 49 HIV status:positive | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 50 HIV status:positive | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 59 HIV status:positive | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 72 HIV status:positive | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 78 HIV status:positive | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 79 HIV status:positive | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 9 HIV status:positive | Obesity:Yes | Sex:M | Race:W #COLLECTION CO:COLLECTION_SUMMARY - CO:COLLECTION_PROTOCOL_FILENAME Koethe_SECIM_collection.txt #TREATMENT TR:TREATMENT_SUMMARY - TR:TREATMENT_PROTOCOL_FILENAME Koethe_SECIM_treatments.txt #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Amino acid|Organic acid|Acylcarnitines SP:SAMPLEPREP_PROTOCOL_FILENAME SB_AA_Assay.pdf;SB_OA_Assay.pdf;SB_Acylcarnitine_Assay.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Amino acid|Organic acid|Acylcarnitines CH:CHROMATOGRAPHY_TYPE Reversed phase MS:INSTRUMENT_NAME Thermo Quantiva QQQ CH:COLUMN_NAME Waters Acquity BEH C18 (100 x 2mm, 1.7um) CH:METHODS_FILENAME SB_AA_Assay.pdf;SB_OA_Assay.pdf;SB_Acylcarnitine_Assay.pdf #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Sanford Burnham AN:DETECTOR_TYPE Triple Quadrupole #MS MS:INSTRUMENT_NAME Thermo Quantiva QQQ MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS POSITIVE MS:MS_COMMENTS Organic Acids #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS uM MS_METABOLITE_DATA_START Samples 509 515 516 517 520 523 524 527 501 502 503 505 513 514 521 525 533 534 507 512 528 531 506 508 510 511 518 519 530 532 23 24 3 33 34 37 41 42 58 71 43 55 60 61 13 14 27 30 35 4 1 16 26 31 36 5 54 57 6 67 7 8 10 15 17 20 25 32 56 62 64 69 74 77 22 45 52 66 12 39 44 48 63 65 75 76 80 11 19 28 40 46 47 49 50 59 72 78 79 9 Factors HIV status:negative | Obesity:Yes | Sex:F | Race:B HIV status:negative | Obesity:Yes | Sex:F | Race:B HIV status:negative | Obesity:Yes | Sex:F | Race:B HIV status:negative | Obesity:Yes | Sex:F | Race:B HIV status:negative | Obesity:Yes | Sex:F | Race:B HIV status:negative | Obesity:Yes | Sex:F | Race:B HIV status:negative | Obesity:Yes | Sex:F | Race:B HIV status:negative | Obesity:Yes | Sex:F | Race:B HIV status:negative | Obesity:Yes | Sex:F | Race:W HIV status:negative | Obesity:Yes | Sex:F | Race:W HIV status:negative | Obesity:Yes | Sex:F | Race:W HIV status:negative | Obesity:Yes | Sex:F | Race:W HIV status:negative | Obesity:Yes | Sex:F | Race:W HIV status:negative | Obesity:Yes | Sex:F | Race:W HIV status:negative | Obesity:Yes | Sex:F | Race:W HIV status:negative | Obesity:Yes | Sex:F | Race:W HIV status:negative | Obesity:Yes | Sex:F | Race:W HIV status:negative | Obesity:Yes | Sex:F | Race:W HIV status:negative | Obesity:Yes | Sex:M | Race:B HIV status:negative | Obesity:Yes | Sex:M | Race:B HIV status:negative | Obesity:Yes | Sex:M | Race:B HIV status:negative | Obesity:Yes | Sex:M | Race:B HIV status:negative | Obesity:Yes | Sex:M | Race:W HIV status:negative | Obesity:Yes | Sex:M | Race:W HIV status:negative | Obesity:Yes | Sex:M | Race:W HIV status:negative | Obesity:Yes | Sex:M | Race:W HIV status:negative | Obesity:Yes | Sex:M | Race:W HIV status:negative | Obesity:Yes | Sex:M | Race:W HIV status:negative | Obesity:Yes | Sex:M | Race:W HIV status:negative | Obesity:Yes | Sex:M | Race:W HIV status:positive | Obesity:No | Sex:F | Race:B HIV status:positive | Obesity:No | Sex:F | Race:B HIV status:positive | Obesity:No | Sex:F | Race:B HIV status:positive | Obesity:No | Sex:F | Race:B HIV status:positive | Obesity:No | Sex:F | Race:B HIV status:positive | Obesity:No | Sex:F | Race:B HIV status:positive | Obesity:No | Sex:F | Race:B HIV status:positive | Obesity:No | Sex:F | Race:B HIV status:positive | Obesity:No | Sex:F | Race:B HIV status:positive | Obesity:No | Sex:F | Race:B HIV status:positive | Obesity:No | Sex:F | Race:W HIV status:positive | Obesity:No | Sex:F | Race:W HIV status:positive | Obesity:No | Sex:F | Race:W HIV status:positive | Obesity:No | Sex:F | Race:W HIV status:positive | Obesity:No | Sex:M | Race:B HIV status:positive | Obesity:No | Sex:M | Race:B HIV status:positive | Obesity:No | Sex:M | Race:B HIV status:positive | Obesity:No | Sex:M | Race:B HIV status:positive | Obesity:No | Sex:M | Race:B HIV status:positive | Obesity:No | Sex:M | Race:B HIV status:positive | Obesity:No | Sex:M | Race:O HIV status:positive | Obesity:No | Sex:M | Race:W HIV status:positive | Obesity:No | Sex:M | Race:W HIV status:positive | Obesity:No | Sex:M | Race:W HIV status:positive | Obesity:No | Sex:M | Race:W HIV status:positive | Obesity:No | Sex:M | Race:W HIV status:positive | Obesity:No | Sex:M | Race:W HIV status:positive | Obesity:No | Sex:M | Race:W HIV status:positive | Obesity:No | Sex:M | Race:W HIV status:positive | Obesity:No | Sex:M | Race:W HIV status:positive | Obesity:No | Sex:M | Race:W HIV status:positive | Obesity:No | Sex:M | Race:W HIV status:positive | Obesity:Yes | Sex:F | Race:B HIV status:positive | Obesity:Yes | Sex:F | Race:B HIV status:positive | Obesity:Yes | Sex:F | Race:B HIV status:positive | Obesity:Yes | Sex:F | Race:B HIV status:positive | Obesity:Yes | Sex:F | Race:B HIV status:positive | Obesity:Yes | Sex:F | Race:B HIV status:positive | Obesity:Yes | Sex:F | Race:B HIV status:positive | Obesity:Yes | Sex:F | Race:B HIV status:positive | Obesity:Yes | Sex:F | Race:B HIV status:positive | Obesity:Yes | Sex:F | Race:B HIV status:positive | Obesity:Yes | Sex:F | Race:B HIV status:positive | Obesity:Yes | Sex:F | Race:B HIV status:positive | Obesity:Yes | Sex:F | Race:W HIV status:positive | Obesity:Yes | Sex:F | Race:W HIV status:positive | Obesity:Yes | Sex:F | Race:W HIV status:positive | Obesity:Yes | Sex:F | Race:W HIV status:positive | Obesity:Yes | Sex:M | Race:B HIV status:positive | Obesity:Yes | Sex:M | Race:B HIV status:positive | Obesity:Yes | Sex:M | Race:B HIV status:positive | Obesity:Yes | Sex:M | Race:B HIV status:positive | Obesity:Yes | Sex:M | Race:B HIV status:positive | Obesity:Yes | Sex:M | Race:B HIV status:positive | Obesity:Yes | Sex:M | Race:O HIV status:positive | Obesity:Yes | Sex:M | Race:O HIV status:positive | Obesity:Yes | Sex:M | Race:O HIV status:positive | Obesity:Yes | Sex:M | Race:W HIV status:positive | Obesity:Yes | Sex:M | Race:W HIV status:positive | Obesity:Yes | Sex:M | Race:W HIV status:positive | Obesity:Yes | Sex:M | Race:W HIV status:positive | Obesity:Yes | Sex:M | Race:W HIV status:positive | Obesity:Yes | Sex:M | Race:W HIV status:positive | Obesity:Yes | Sex:M | Race:W HIV status:positive | Obesity:Yes | Sex:M | Race:W HIV status:positive | Obesity:Yes | Sex:M | Race:W HIV status:positive | Obesity:Yes | Sex:M | Race:W HIV status:positive | Obesity:Yes | Sex:M | Race:W HIV status:positive | Obesity:Yes | Sex:M | Race:W HIV status:positive | Obesity:Yes | Sex:M | Race:W 2-HBA 14.5538 32.9794 30.4782 16.4001 36.3140 33.0966 32.6730 30.6338 30.2021 30.5315 34.2459 25.2607 62.2719 13.2233 34.7410 21.0465 44.1447 26.4765 40.8144 45.4831 52.5894 56.5599 31.1880 37.8480 67.7405 30.0576 28.7841 45.9527 27.5036 37.9261 36.7689 26.6533 34.8456 39.3273 47.2893 57.4490 54.4628 46.2961 138.8199 31.3877 34.4943 33.7857 23.3631 28.3799 22.3858 22.1194 20.2472 18.2119 52.9725 30.5767 61.4088 26.9917 23.6698 76.5597 25.7859 19.3435 27.9940 32.2571 32.0717 23.8556 34.6252 16.0936 33.8189 41.3772 42.1028 151.2076 38.7184 33.3134 21.3706 40.5647 48.3535 18.5577 47.1948 30.8659 21.2053 35.7287 28.1201 69.7861 28.2090 28.7900 19.2289 35.7863 19.1634 46.0642 40.2902 44.1786 61.6578 72.8276 71.7220 45.8283 54.7744 21.9244 48.1818 30.1327 77.9270 70.7281 25.0107 35.1142 24.2775 62.6606 3-HBA 21.2214 173.9456 40.4369 31.5189 53.6245 60.9387 116.0629 33.2915 41.8806 101.4845 84.9296 28.0991 117.7636 36.4144 92.5771 36.7025 140.7271 26.6565 74.2521 39.7023 87.7086 42.6055 45.9199 33.4653 94.9181 31.3689 56.8683 53.7986 31.2060 43.9465 112.6188 46.6170 42.8637 132.3524 138.2728 144.5482 61.8572 159.9814 823.4101 39.8873 178.2771 40.5366 132.7376 33.5269 29.4093 28.9502 24.8347 17.5047 242.2319 54.7083 34.5976 69.5103 30.5357 647.4876 17.5039 31.9159 17.9669 30.4971 31.6923 36.4769 75.3385 14.1139 33.2798 25.3545 133.6659 296.6796 33.5622 23.4812 16.5565 79.6320 142.8508 27.1572 54.3638 65.5300 20.6310 89.4135 37.4204 154.1493 23.9281 55.0307 19.3794 120.1276 21.0962 20.9033 30.8793 30.7139 128.8535 72.6290 66.1284 36.6655 144.5251 31.2609 54.6590 34.8463 119.6528 240.1694 43.5774 153.7091 36.2139 174.4112 a-KG 6.2933 5.6172 4.2901 6.5096 5.5151 4.2888 3.7141 4.0905 9.0184 6.2119 6.0302 7.1199 5.7608 3.7791 2.8730 3.3263 6.2402 4.0944 4.3641 8.5481 4.1740 4.5445 7.1063 5.8309 5.9104 4.8460 5.2934 6.2621 4.1574 4.4067 4.6031 4.6043 4.5762 3.9631 3.5961 5.0596 6.6075 5.9941 20.3629 4.2334 5.9425 4.9541 3.6291 4.7005 4.8959 3.6622 3.6950 3.7137 8.3811 5.8589 5.6609 6.5184 3.0884 6.8315 3.8314 3.3424 2.9229 4.6401 2.8099 3.7383 2.8964 2.4308 4.1741 4.5410 5.0383 8.0251 5.3538 5.0252 5.5770 4.1934 5.3147 3.5057 6.3251 4.6088 3.7016 4.4089 13.7621 4.9069 4.0677 4.3176 5.1777 6.6955 3.1979 3.2217 3.1127 4.5685 5.0196 6.5662 6.2326 4.4868 4.2924 3.8564 8.1844 3.6669 4.5902 3.2937 10.6737 4.1102 7.4447 4.1213 Citrate 86.2083 121.4836 79.4018 78.9649 52.9889 52.6424 79.7077 72.6398 116.5447 79.2272 82.7034 96.5464 107.5754 66.4650 72.6046 55.5406 98.1581 85.3868 56.1036 95.9645 73.2607 52.0390 104.0661 67.0905 90.8517 66.5187 54.6897 56.3490 46.0764 65.2142 100.5348 58.5138 72.1476 69.8196 95.3352 85.1202 85.1214 92.0426 153.5029 76.2948 100.4078 72.4915 102.8828 63.1433 66.7177 54.3440 57.1728 85.4042 76.7509 158.4469 104.6412 126.1187 57.8898 76.2219 71.3676 60.9956 71.7147 83.8939 49.9336 69.0243 65.5714 58.1895 76.6458 79.3630 86.5917 167.9270 99.2604 81.7157 96.9486 87.1966 106.6663 62.3901 131.2653 71.5555 42.6431 93.0980 73.0827 74.9021 76.8627 57.9880 55.1370 89.2709 65.7741 73.1152 54.0474 92.6252 105.5205 89.3846 164.4626 87.0026 86.0353 67.0448 75.0094 69.4207 93.4896 64.3177 182.2419 72.6204 72.2504 144.5366 Fumarate Lactate 445.2737 868.8740 813.1973 588.1284 860.0073 721.9418 1008.9239 1114.6395 1983.1051 1109.7317 696.3631 1131.2523 1279.3065 2171.4757 1041.9873 708.0901 750.9551 958.3560 520.2690 1671.4212 743.2601 838.5604 645.5925 1240.9721 759.9592 968.9954 1534.8813 928.0731 825.5870 1056.1624 750.4541 734.1721 1092.8795 581.8580 1066.0372 774.2998 1066.3124 728.8840 1128.2867 661.5929 859.5786 976.6626 1061.5645 754.9659 961.1026 949.0845 660.3577 1341.5666 994.4370 1985.6216 1390.0959 2280.7149 595.3080 755.3174 1184.3169 944.7608 724.2814 1069.5507 747.8961 701.6360 660.7721 1075.2186 771.3396 1166.7469 712.0930 983.3926 860.8953 1268.1908 1224.1120 1018.1697 894.1963 738.6087 1088.7289 804.9159 1519.1611 1076.1022 1167.5110 985.8971 1662.0802 1504.6238 1245.7643 976.6947 806.4458 1136.7136 1037.3528 1330.0876 1110.1382 2023.8889 1466.7101 982.9202 1230.5557 887.5014 1728.2081 844.3526 1107.3253 826.0915 777.9016 737.5671 1925.3720 987.4764 Malate 3.8893 3.2923 2.8876 3.1130 2.8362 2.6830 2.6860 3.1798 4.0281 3.6075 3.1099 2.6815 4.0044 2.0026 2.3010 1.7963 3.1644 2.4240 2.1901 4.0467 2.7732 2.9417 3.3075 2.6114 2.7848 2.2060 2.6497 2.6652 1.8691 2.4651 2.9911 2.5226 2.9363 2.1955 2.7949 3.0244 4.1674 3.0894 7.1198 2.0459 3.6484 4.1269 3.1474 3.4049 2.6483 2.5064 3.4206 2.6373 4.1568 4.9380 3.5478 4.3516 2.1752 3.3314 2.5869 2.0334 2.2643 2.9687 1.7920 2.9420 2.1029 1.6253 2.7743 3.2700 3.0636 4.2921 3.1895 2.5321 2.6606 3.9488 3.7734 1.7200 3.0695 3.5465 2.0079 3.3515 7.9448 2.6845 2.6282 2.6845 2.6189 3.7113 2.2376 2.1513 2.0983 2.8010 2.8540 3.3728 5.3040 2.4261 3.7201 2.1529 4.5580 2.3249 3.4120 2.6447 4.4260 2.3450 3.3021 2.7823 Pyruvate 41.4219 54.6797 66.2439 58.8163 69.4875 67.1314 66.8372 72.8750 167.4256 119.8139 70.6347 113.6327 108.9840 97.8409 93.9701 68.7336 62.1410 92.4403 42.6020 143.6460 49.6007 77.8364 58.0351 135.4338 62.0833 91.5950 130.1073 78.8186 74.5289 87.0424 56.8685 89.1122 116.7507 85.7779 81.7428 89.3589 126.1997 85.1895 87.3800 61.9828 94.4478 77.9700 75.4832 72.0973 143.0343 100.2583 72.0015 87.8608 93.7945 211.9012 171.2377 178.8040 69.5488 58.2294 124.5582 135.2973 80.5411 106.8335 77.0262 72.3278 67.4871 96.7411 74.9800 155.2017 95.9825 92.7295 94.5388 137.4551 108.3338 106.6765 84.2312 110.5483 93.2430 88.4810 135.2974 108.4928 126.0351 132.7101 186.4244 187.6360 118.2205 120.6626 83.6979 154.7460 115.7284 127.9045 100.4693 192.2436 113.8353 104.6630 157.8518 96.9682 170.3654 107.3407 106.1822 86.5004 66.7049 70.8518 179.6999 117.1892 Succinate MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type 2-HBA UFLORIDA_FEATURE 3-HBA 441 C01089 UFLORIDA_FEATURE a-KG 51 C00026 UFLORIDA_FEATURE Citrate 311 C00158 UFLORIDA_FEATURE Fumarate 444972 C00122 UFLORIDA_FEATURE Lactate 107689 C00186 UFLORIDA_FEATURE Malate 222656 C00149 UFLORIDA_FEATURE Pyruvate 1060 C00022 UFLORIDA_FEATURE Succinate 1110 C00042 UFLORIDA_FEATURE METABOLITES_END #END