#METABOLOMICS WORKBENCH huntermoseley_20140929_9407441_mwtab.txt DATATRACK_ID:161 STUDY_ID:ST000114 ANALYSIS_ID:AN000194 PROJECT_ID:PR000102 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE SIRM Analysis of human P493 PR:PROJECT_SUMMARY SIRM Analysis of human MYC-inducible P493 cells PR:INSTITUTE Johns Hopkins University PR:DEPARTMENT Pathology PR:LAST_NAME Dang PR:FIRST_NAME Chi PR:ADDRESS - PR:EMAIL cvdang@jhmi.edu PR:PHONE - #STUDY ST:STUDY_TITLE SIRM Analysis of human P493 cells under hypoxia in [U-13C] labeled Glucose ST:STUDY_TYPE tracer ST:STUDY_SUMMARY SIRM Analysis of MYC inducible P493 cells under normoxia and hypoxia in [U-13C] ST:STUDY_SUMMARY Glucose medium ST:INSTITUTE University of Kentucky ST:DEPARTMENT Toxicology ST:LAST_NAME Fan ST:FIRST_NAME Teresa ST:ADDRESS - ST:EMAIL twmfan@gmail.com ST:PHONE - ST:STUDY_COMMENTS For protocols and additional information, see Le, A., Lane, A.N., Hamaker, M., ST:STUDY_COMMENTS S., Barbi, J., Tsukamoto, T., Rojas, C.J., Slusher, B.S., Zhang, H., Zimmerman. ST:STUDY_COMMENTS Liebler, D.C., Slebos, R.J.C., Lorkiewicz, P.K., Higashi, R.M., Fan, T.W-M., ST:STUDY_COMMENTS Dang, C.V. Cell Metabolism 15, 110 (2012). #SUBJECT SU:SUBJECT_TYPE cell culture SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENOTYPE_STRAIN P493 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 - hypox-13C-Glc-plate-1 Oxygen Condition:hypoxia | Treatment:None dry_weight=9.0000; dry_weight%units=mg; pellet_weight=84.5000; pellet_weight%units=mg; wet_weight=3.1000; wet_weight%units=mg SUBJECT_SAMPLE_FACTORS - hypox-13C-Glc-plate-2 Oxygen Condition:hypoxia | Treatment:None dry_weight=8.3000; dry_weight%units=mg; pellet_weight=79.2000; pellet_weight%units=mg; wet_weight=3.1000; wet_weight%units=mg SUBJECT_SAMPLE_FACTORS - tet-hypox-13C-Glc-plate-1 Oxygen Condition:hypoxia | Treatment:Tetracycline dry_weight=8.8000; dry_weight%units=mg; pellet_weight=72.7000; pellet_weight%units=mg; wet_weight=2.3000; wet_weight%units=mg SUBJECT_SAMPLE_FACTORS - tet-hypox-13C-Glc-plate-2 Oxygen Condition:hypoxia | Treatment:Tetracycline dry_weight=6.7000; dry_weight%units=mg; pellet_weight=68.0000; pellet_weight%units=mg; wet_weight=2.8000; wet_weight%units=mg SUBJECT_SAMPLE_FACTORS - normox-13C-Glc-plate-1 Oxygen Condition:normoxia | Treatment:None dry_weight=6.3000; dry_weight%units=mg; pellet_weight=68.1000; pellet_weight%units=mg; wet_weight=2.2000; wet_weight%units=mg SUBJECT_SAMPLE_FACTORS - normox-13C-Glc-plate-2 Oxygen Condition:normoxia | Treatment:None dry_weight=6.0000; dry_weight%units=mg; pellet_weight=68.8000; pellet_weight%units=mg; wet_weight=3.1000; wet_weight%units=mg SUBJECT_SAMPLE_FACTORS - tet-normox-13C-Glc-plate-1 Oxygen Condition:normoxia | Treatment:Tetracycline dry_weight=5.4000; dry_weight%units=mg; pellet_weight=52.4000; pellet_weight%units=mg; wet_weight=3.4000; wet_weight%units=mg SUBJECT_SAMPLE_FACTORS - tet-normox-13C-Glc-plate-2 Oxygen Condition:normoxia | Treatment:Tetracycline dry_weight=4.6000; dry_weight%units=mg; pellet_weight=50.0000; pellet_weight%units=mg; wet_weight=2.5000; wet_weight%units=mg #COLLECTION CO:COLLECTION_SUMMARY - CO:COLLECTION_PROTOCOL_COMMENTS Collection and quench of cells in tissue culture #TREATMENT TR:TREATMENT_SUMMARY - TR:TREATMENT_PROTOCOL_COMMENTS tet-hypox-13C-Glc: cell culture under hypoxia with 1ug/ml Tetracycline for 24hr TR:TREATMENT_PROTOCOL_COMMENTS 24hr with [U-13C]-Glc | tet-normox-13C-Glc: cell culture under normoxia with TR:TREATMENT_PROTOCOL_COMMENTS Tetracycline for 24hr + 24hr with [U-13C]-Glc | hypox-13C-Glc: cell culture TR:TREATMENT_PROTOCOL_COMMENTS hypoxia for 24hr + 24hr with [U-13C]-Glc | normox-13C-Glc: cell culture under TR:TREATMENT_PROTOCOL_COMMENTS for 24hr + 24hr with [U-13C]-Glc #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_COMMENTS Lipid extraction and preparation for FTMS. | Protein extraction and SP:SAMPLEPREP_PROTOCOL_COMMENTS | Preparation of polar samples for GCMS and NMR. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME - CH:COLUMN_NAME - #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME RCSIRM #MS MS:INSTRUMENT_NAME Thermo ITQ MS:INSTRUMENT_TYPE GC-ITQ MS:MS_TYPE EI MS:ION_MODE POSITIVE MS:MS_COMMENTS GCMS Analytical Experiment with detection of compounds by comparison to MS:MS_COMMENTS Derivitization is done with MTBSTFA #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS normalized Peak area MS_METABOLITE_DATA_START Samples hypox-13C-Glc-plate-1 hypox-13C-Glc-plate-2 tet-hypox-13C-Glc-plate-1 tet-hypox-13C-Glc-plate-2 normox-13C-Glc-plate-1 normox-13C-Glc-plate-2 tet-normox-13C-Glc-plate-1 tet-normox-13C-Glc-plate-2 Factors Oxygen Condition:hypoxia | Treatment:None Oxygen Condition:hypoxia | Treatment:None Oxygen Condition:hypoxia | Treatment:Tetracycline Oxygen Condition:hypoxia | Treatment:Tetracycline Oxygen Condition:normoxia | Treatment:None Oxygen Condition:normoxia | Treatment:None Oxygen Condition:normoxia | Treatment:Tetracycline Oxygen Condition:normoxia | Treatment:Tetracycline a-glycerol-3P_1-13C0 1.5505 1.4169 0.9798 0.9829 0.8549 0.9915 0.9040 0.8563 a-glycerol-3P_1-13C1 0.0015 0.0038 a-glycerol-3P_1-13C2 1.1029 0.9928 0.7889 0.7954 0.6361 0.7454 0.7960 0.7729 a-glycerol-3P_1-13C3 0.4461 0.4204 0.1909 0.1874 0.2188 0.2461 0.1079 0.0834 a-glycerol-3P_1-ALL a-glycerol-3P_2-13C0 0.6430 0.5664 0.3885 0.4045 0.3410 0.4013 0.4049 0.4093 a-glycerol-3P_2-13C1 0.0074 0.0210 0.0098 0.0103 0.0087 0.0003 0.0576 a-glycerol-3P_2-13C2 0.0409 0.0477 0.0221 0.0149 0.0153 0.0314 0.0102 0.0044 a-glycerol-3P_2-13C3 0.3223 0.2994 0.1296 0.1196 0.1582 0.1917 0.0602 0.0708 a-glycerol-3P_2-ALL 1.0137 0.9345 0.5500 0.5390 0.5248 0.6330 0.4755 0.5421 a-ketoglutarate-13C0 0.0795 0.0597 0.0046 0.0381 0.0360 a-ketoglutarate-13C1 0.0034 0.0029 0.0010 a-ketoglutarate-13C2 0.0106 0.0076 0.0204 0.0166 a-ketoglutarate-13C3 0.0036 0.0054 0.0102 0.0086 a-ketoglutarate-13C4 0.0045 0.0023 0.0066 0.0172 0.0112 a-ketoglutarate-13C5 0.0028 0.0110 0.0017 a-ketoglutarate-ALL 0.1015 0.0750 0.0140 0.0999 0.0750 Ala-13C0 0.0740 0.0596 0.0476 0.0460 0.0428 0.0436 0.0476 0.0734 Ala-13C1 0.0085 0.0095 0.0012 0.0037 0.0066 0.0088 0.0007 0.0022 Ala-13C2 0.0171 0.0058 0.0055 0.0049 0.0219 0.0087 0.0037 0.0052 Ala-13C3 0.5455 0.4884 0.1040 0.1215 0.3190 0.3794 0.0475 0.0622 Ala-ALL 0.6451 0.5633 0.1583 0.1760 0.3902 0.4404 0.0995 0.1430 Arg-13C0 0.1880 0.1463 0.0911 0.0822 0.1501 0.1575 0.0945 0.1492 Arg-13C1 0.0117 0.0093 0.0056 0.0003 0.0076 0.0074 0.0061 0.0034 Arg-13C2 Arg-13C3 0.0005 Arg-13C4 Arg-13C5 Arg-13C6 Arg-ALL 0.1997 0.1561 0.0967 0.0825 0.1576 0.1649 0.1005 0.1526 ascorbate-13C0 ascorbate-13C1 ascorbate-13C2 ascorbate-13C3 ascorbate-13C4 ascorbate-13C5 ascorbate-ALL Asn-13C0 0.9908 0.8073 0.6428 0.5952 0.8728 1.0783 0.8655 0.9164 Asn-13C1 0.0327 0.0330 0.0171 0.0184 0.0136 0.0362 0.0237 0.0414 Asn-13C2 0.0004 0.0029 0.0007 0.0039 Asn-13C3 0.0021 0.0046 0.0076 0.0009 0.0013 Asn-13C4 0.0007 Asn-ALL 1.0261 0.8432 0.6613 0.6182 0.8940 1.1192 0.8904 0.9578 Asp-13C0 0.1841 0.1736 0.3613 0.3123 0.1145 0.1504 0.9085 0.8495 Asp-13C1 0.0676 0.0543 0.0667 0.0765 0.0464 0.0575 0.2447 0.3076 Asp-13C2 0.0166 0.0172 0.0723 0.0706 0.0432 0.0577 0.4303 0.4639 Asp-13C3 0.0101 0.0076 0.0490 0.0512 0.0380 0.0561 0.3551 0.3314 Asp-13C4 0.0050 0.0001 0.0171 0.0176 0.0225 0.0232 0.1395 0.1597 Asp-ALL 0.2833 0.2528 0.5663 0.5283 0.2645 0.3448 2.0781 2.1120 bOHbutyrate-13C0 0.3663 0.3733 0.1489 0.1587 0.3475 0.3757 0.1872 0.1709 bOHbutyrate-13C1 0.0876 0.0964 0.0340 0.0381 0.0815 0.0612 0.0449 0.0328 bOHbutyrate-13C2 0.0125 0.0279 0.0131 0.0105 0.0193 0.0456 0.0175 0.0206 bOHbutyrate-13C3 0.0044 0.0052 0.0058 bOHbutyrate-13C4 bOHbutyrate-ALL 0.4707 0.4976 0.1960 0.2073 0.4536 0.4883 0.2496 0.2244 [calc GSH-13C] 0.5792 0.4727 0.2850 0.2385 0.5570 0.6892 0.2877 0.2721 citrate-13C0 0.1056 0.0896 0.0461 0.0389 0.0694 0.0944 0.0502 0.0415 citrate-13C1 0.0134 0.0081 0.0069 0.0052 0.0252 0.0225 0.0145 0.0127 citrate-13C2 0.0608 0.0540 0.0230 0.0222 0.1065 0.1328 0.0519 0.0471 citrate-13C3 0.0078 0.0070 0.0106 0.0073 0.0394 0.0373 0.0220 0.0210 citrate-13C4 0.0075 0.0062 0.0065 0.0055 0.0436 0.0611 0.0217 0.0174 citrate-13C5 0.0038 0.0037 0.0025 0.0018 0.0310 0.0391 0.0099 0.0114 citrate-13C6 0.0004 0.0085 0.0086 0.0037 0.0011 citrate-ALL 0.1990 0.1686 0.0960 0.0809 0.3237 0.3958 0.1740 0.1520 Cys-13C0 1.1048 1.0005 0.5835 0.7475 0.5796 0.7916 0.9051 1.3704 Cys-13C1 0.1130 0.0781 0.0149 0.0087 0.0746 0.0950 0.0254 0.0348 Cys-13C2 0.0362 0.0346 0.0199 0.0258 0.0214 0.0429 0.0229 0.0467 Cys-13C3 0.0013 0.0026 0.0070 0.0035 0.0052 Cys-ALL 1.2553 1.1158 0.6183 0.7820 0.6826 0.9331 0.9585 1.4520 fumarate-13C0 0.2085 0.1847 0.0930 0.0907 0.1117 0.1269 0.0705 0.0768 fumarate-13C1 0.0118 0.0108 0.0059 0.0066 0.0077 0.0121 0.0090 0.0074 fumarate-13C2 0.0147 0.0111 0.0119 0.0102 0.0286 0.0362 0.0093 0.0090 fumarate-13C3 0.0047 0.0039 0.0072 0.0052 0.0231 0.0250 0.0080 0.0069 fumarate-13C4 0.0003 0.0006 0.0001 0.0011 0.0059 0.0096 0.0014 0.0024 fumarate-ALL 0.2400 0.2111 0.1181 0.1139 0.1771 0.2097 0.0982 0.1025 GAB-13C0 0.0072 0.0062 0.0078 0.0056 GAB-13C1 GAB-13C2 GAB-13C3 GAB-13C4 GAB-ALL 0.0072 0.0062 0.0078 0.0056 Gln-13C0 0.4685 0.3638 1.0968 1.0268 0.8217 1.0387 1.8448 1.9469 Gln-13C1 0.0303 0.0136 0.0681 0.0461 0.0477 0.0564 0.1061 0.1116 Gln-13C2 0.0007 0.0035 0.0089 0.0054 0.0127 0.0101 0.0189 0.0069 Gln-13C3 0.0009 0.0007 0.0024 0.0006 0.0048 0.0054 0.0053 Gln-13C4 0.0001 0.0018 0.0042 0.0048 0.0043 Gln-13C5 0.0005 0.0002 0.0015 0.0000 Gln-ALL 0.5003 0.3809 1.1768 1.0808 0.8872 1.1162 1.9752 2.0750 Glu-13C0 4.2805 3.4254 3.4874 3.2813 1.9407 2.4549 2.2263 2.2754 Glu-13C1 1.3647 1.2223 0.4522 0.5431 0.8063 1.0570 0.5309 0.5046 Glu-13C2 0.5828 0.4747 1.0759 0.9802 1.0265 1.2269 1.5376 1.5820 Glu-13C3 0.2408 0.2051 0.4139 0.3834 0.7089 0.8872 0.8468 0.9139 Glu-13C4 0.0783 0.0720 0.2263 0.2664 0.5539 0.6669 0.6622 0.6592 Glu-13C5 0.0332 0.0278 0.1426 0.1170 0.3827 0.4349 0.3589 0.3555 Glu-ALL 6.5804 5.4274 5.7983 5.5714 5.4191 6.7277 6.1625 6.2905 Gly-13C0 1.7030 1.6913 2.1337 2.3852 1.2288 1.5647 2.7712 3.1128 Gly-13C1 0.1087 0.0801 0.1152 0.1571 0.0871 0.1151 0.0987 0.0960 Gly-13C2 0.2260 0.2151 0.2996 0.3436 0.1729 0.1593 0.2002 0.1615 Gly-ALL 2.0377 1.9865 2.5485 2.8859 1.4887 1.8391 3.0702 3.3703 His-13C0 0.0099 0.0066 0.0102 His-13C1 His-13C2 His-13C3 His-13C4 His-13C5 His-13C6 His-ALL 0.0099 0.0066 0.0102 Ile-13C0 0.0578 0.0514 0.0568 0.0546 0.0409 0.0480 0.0725 0.0853 Ile-13C1 0.0314 0.0236 0.0078 0.0072 0.0238 0.0262 0.0050 0.0086 Ile-13C2 0.0008 0.0005 0.0012 Ile-13C3 Ile-13C4 Ile-13C5 Ile-13C6 Ile-ALL 0.0900 0.0750 0.0650 0.0618 0.0659 0.0742 0.0775 0.0939 lactate-13C0 0.2762 0.3406 0.3530 0.3759 0.4039 0.3066 0.5091 0.4953 lactate-13C1 0.0747 0.0835 0.0631 0.1114 0.0588 0.0529 0.0485 0.0470 lactate-13C2 0.1208 0.0978 0.1431 0.1264 0.1114 0.0438 0.0547 0.1245 lactate-13C3 1.6041 1.8259 1.2931 1.6685 1.3034 1.0997 0.5814 1.0213 lactate-ALL 2.0758 2.3479 1.8523 2.2822 1.8775 1.5030 1.1936 1.6882 Leu-13C0 0.0788 0.0647 0.0760 0.0683 0.0622 0.0608 0.0887 0.1177 Leu-13C1 0.0386 0.0320 0.0102 0.0093 0.0279 0.0323 0.0024 0.0085 Leu-13C2 0.0010 0.0005 0.0003 0.0009 Leu-13C3 0.0004 Leu-13C4 Leu-13C5 Leu-13C6 Leu-ALL 0.1184 0.0975 0.0865 0.0776 0.0901 0.0939 0.0911 0.1262 Lys-13C0 0.0768 0.0580 0.0556 0.0614 0.0474 0.0614 0.0548 0.1106 Lys-13C1 0.0001 0.0019 0.0059 0.0013 Lys-13C2 Lys-13C3 Lys-13C4 Lys-13C5 Lys-13C6 Lys-ALL 0.0768 0.0580 0.0557 0.0632 0.0533 0.0614 0.0561 0.1106 Malate-13C0 0.5238 0.4624 0.1628 0.1655 0.2223 0.2862 0.0944 0.0576 Malate-13C1 0.0233 0.0187 0.0211 0.0245 0.0329 0.0337 0.0278 0.0194 Malate-13C2 0.0447 0.0352 0.0397 0.0335 0.1057 0.1255 0.0460 0.0296 Malate-13C3 0.0159 0.0163 0.0224 0.0197 0.0540 0.0783 0.0302 0.0188 Malate-13C4 0.0009 0.0005 0.0043 0.0076 0.0281 0.0311 0.0123 0.0095 Malate-ALL 0.6087 0.5331 0.2503 0.2508 0.4429 0.5548 0.2106 0.1349 Met-13C0 0.0321 0.0265 0.0283 0.0235 0.0225 0.0254 0.0328 0.0504 Met-13C1 0.0092 0.0055 0.0029 0.0000 0.0035 0.0064 0.0006 0.0046 Met-13C2 0.0020 0.0009 0.0003 0.0069 0.0013 Met-13C3 0.0023 0.0036 0.0029 Met-13C4 Met-13C5 0.0283 0.0224 Met-ALL 0.0457 0.0366 0.0597 0.0236 0.0552 0.0360 0.0335 0.0550 Norleu-ALL OHPro-13C0 0.5524 0.4457 0.2669 0.2528 0.4057 0.5182 0.2683 0.2683 OHPro-13C1 0.0113 0.0160 0.0079 0.0152 0.0174 0.0293 0.0126 0.0188 OHPro-13C2 0.0000 0.0008 OHPro-13C3 OHPro-13C4 OHPro-13C5 OHPro-ALL 0.5637 0.4617 0.2749 0.2679 0.4231 0.5475 0.2817 0.2870 Orn-13C0 0.0278 0.0219 0.0185 0.0160 0.0171 0.0183 0.0163 0.0213 Orn-13C1 0.0044 0.0039 0.0090 0.0042 0.0036 0.0074 0.0074 0.0098 Orn-13C2 0.0028 0.0023 0.0005 0.0032 0.0078 0.0037 0.0078 Orn-13C3 0.0041 Orn-13C4 Orn-13C5 Orn-ALL 0.0350 0.0281 0.0320 0.0235 0.0285 0.0293 0.0315 0.0312 Phe-13C0 0.0487 0.0385 0.0321 0.0284 0.0370 0.0417 0.0311 0.0495 Phe-13C1 0.0042 0.0035 0.0012 0.0025 0.0026 0.0036 0.0016 0.0036 Phe-13C2 Phe-13C3 Phe-13C4 Phe-13C5 0.0045 Phe-13C6 0.0062 0.0085 Phe-13C7 0.0019 0.0032 0.0034 Phe-13C8 0.0031 0.0017 Phe-13C9 0.0030 0.0033 Phe-ALL 0.0530 0.0500 0.0365 0.0309 0.0426 0.0502 0.0361 0.0695 PO4-ALL Pro258-13C0 1.7521 1.5839 0.5215 0.5374 0.8645 1.0471 0.2358 0.2597 Pro258-13C1 0.0942 0.0874 0.0495 0.0512 0.0868 0.0866 0.0240 0.0235 Pro258-13C2 0.1549 0.1279 0.0836 0.0839 0.2696 0.3107 0.0392 0.0426 Pro258-13C3 0.0197 0.0181 0.0232 0.0221 0.1419 0.1566 0.0204 0.0227 Pro258-13C4 0.0094 0.0055 0.0102 0.0128 0.0748 0.0975 0.0097 0.0123 Pro258-13C5 0.0286 0.0426 0.0242 0.0231 0.0121 0.0102 0.0149 0.0187 Pro258-ALL 2.0589 1.8655 0.7122 0.7305 1.4498 1.7086 0.3439 0.3795 SeMet-ALL Ser-13C0 0.2203 0.1681 0.1936 0.1823 0.1513 0.1940 0.2492 0.3017 Ser-13C1 0.0637 0.0572 0.0544 0.0528 0.0366 0.0481 0.0389 0.0414 Ser-13C2 0.0318 0.0248 0.0255 0.0259 0.0206 0.0239 0.0156 0.0135 Ser-13C3 0.0115 0.0134 0.0159 0.0153 0.0098 0.0130 0.0095 0.0114 Ser-ALL 0.3274 0.2634 0.2895 0.2763 0.2183 0.2789 0.3132 0.3679 Succinate-13C0 0.2130 0.1984 0.1391 0.1835 0.1738 0.1404 0.1321 0.0962 Succinate-13C1 0.0111 0.0135 0.0074 0.0096 0.0105 0.0125 0.0083 0.0089 Succinate-13C2 0.0121 0.0131 0.0144 0.0135 0.0288 0.0305 0.0110 0.0101 Succinate-13C3 0.0033 0.0020 0.0053 0.0070 0.0190 0.0173 0.0060 0.0047 Succinate-13C4 0.0007 0.0010 0.0021 0.0007 0.0082 0.0090 0.0027 0.0026 Succinate-ALL 0.2401 0.2280 0.1683 0.2144 0.2402 0.2097 0.1602 0.1224 t-aconitate-13C0 0.0034 0.0040 0.0016 0.0022 t-aconitate-13C1 t-aconitate-13C2 0.0018 0.0025 0.0025 0.0060 t-aconitate-13C3 0.0003 t-aconitate-13C4 t-aconitate-13C5 t-aconitate-13C6 t-aconitate-ALL 0.0052 0.0068 0.0041 0.0082 Thr-13C0 0.3784 0.3024 0.2347 0.2420 0.2745 0.3437 0.2742 0.2932 Thr-13C1 0.0033 0.0121 0.0028 0.0015 0.0015 0.0041 0.0034 0.0023 Thr-13C2 0.0011 Thr-13C3 0.0000 Thr-13C4 Thr-ALL 0.3829 0.3145 0.2375 0.2435 0.2760 0.3478 0.2777 0.2955 Trp-13C0 Trp-13C1 Trp-13C10 Trp-13C11 Trp-13C2 Trp-13C3 Trp-13C4 Trp-13C5 Trp-13C6 Trp-13C7 Trp-13C8 Trp-13C9 Trp-ALL Tyr-13C0 0.0553 0.0466 0.0372 0.0332 0.0436 0.0475 0.0393 0.0572 Tyr-13C1 0.0060 0.0032 0.0014 0.0009 0.0030 0.0017 0.0037 Tyr-13C2 0.0000 Tyr-13C3 Tyr-13C4 Tyr-13C5 Tyr-13C6 Tyr-13C7 0.0002 0.0003 Tyr-13C8 Tyr-13C9 Tyr-ALL 0.0613 0.0498 0.0386 0.0332 0.0445 0.0504 0.0411 0.0611 Val-13C0 0.0559 0.0444 0.0488 0.0487 0.0373 0.0392 0.0543 0.0696 Val-13C1 0.0073 0.0065 0.0015 0.0006 0.0064 0.0064 0.0011 0.0014 Val-13C2 Val-13C3 Val-13C4 Val-13C5 Val-ALL 0.0632 0.0509 0.0503 0.0493 0.0437 0.0456 0.0554 0.0710 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 a-glycerol-3P_1-13C0 U_Kentucky_isotope a-glycerol-3P_1-13C1 U_Kentucky_isotope a-glycerol-3P_1-13C2 U_Kentucky_isotope a-glycerol-3P_1-13C3 U_Kentucky_isotope a-glycerol-3P_1-ALL U_Kentucky_isotope a-glycerol-3P_2-13C0 U_Kentucky_isotope a-glycerol-3P_2-13C1 U_Kentucky_isotope a-glycerol-3P_2-13C2 U_Kentucky_isotope a-glycerol-3P_2-13C3 U_Kentucky_isotope a-glycerol-3P_2-ALL U_Kentucky_isotope a-ketoglutarate-13C0 U_Kentucky_isotope a-ketoglutarate-13C1 U_Kentucky_isotope a-ketoglutarate-13C2 U_Kentucky_isotope a-ketoglutarate-13C3 U_Kentucky_isotope a-ketoglutarate-13C4 U_Kentucky_isotope a-ketoglutarate-13C5 U_Kentucky_isotope a-ketoglutarate-ALL U_Kentucky_isotope Ala-13C0 U_Kentucky_isotope Ala-13C1 U_Kentucky_isotope Ala-13C2 U_Kentucky_isotope Ala-13C3 U_Kentucky_isotope Ala-ALL U_Kentucky_isotope Arg-13C0 U_Kentucky_isotope Arg-13C1 U_Kentucky_isotope Arg-13C2 U_Kentucky_isotope Arg-13C3 U_Kentucky_isotope Arg-13C4 U_Kentucky_isotope Arg-13C5 U_Kentucky_isotope Arg-13C6 U_Kentucky_isotope Arg-ALL U_Kentucky_isotope ascorbate-13C0 U_Kentucky_isotope ascorbate-13C1 U_Kentucky_isotope ascorbate-13C2 U_Kentucky_isotope ascorbate-13C3 U_Kentucky_isotope ascorbate-13C4 U_Kentucky_isotope ascorbate-13C5 U_Kentucky_isotope ascorbate-ALL U_Kentucky_isotope Asn-13C0 U_Kentucky_isotope Asn-13C1 U_Kentucky_isotope Asn-13C2 U_Kentucky_isotope Asn-13C3 U_Kentucky_isotope Asn-13C4 U_Kentucky_isotope Asn-ALL U_Kentucky_isotope Asp-13C0 U_Kentucky_isotope Asp-13C1 U_Kentucky_isotope Asp-13C2 U_Kentucky_isotope Asp-13C3 U_Kentucky_isotope Asp-13C4 U_Kentucky_isotope Asp-ALL U_Kentucky_isotope bOHbutyrate-13C0 U_Kentucky_isotope bOHbutyrate-13C1 U_Kentucky_isotope bOHbutyrate-13C2 U_Kentucky_isotope bOHbutyrate-13C3 U_Kentucky_isotope bOHbutyrate-13C4 U_Kentucky_isotope bOHbutyrate-ALL U_Kentucky_isotope [calc GSH-13C] U_Kentucky_isotope citrate-13C0 U_Kentucky_isotope citrate-13C1 U_Kentucky_isotope citrate-13C2 U_Kentucky_isotope citrate-13C3 U_Kentucky_isotope citrate-13C4 U_Kentucky_isotope citrate-13C5 U_Kentucky_isotope citrate-13C6 U_Kentucky_isotope citrate-ALL U_Kentucky_isotope Cys-13C0 U_Kentucky_isotope Cys-13C1 U_Kentucky_isotope Cys-13C2 U_Kentucky_isotope Cys-13C3 U_Kentucky_isotope Cys-ALL U_Kentucky_isotope fumarate-13C0 U_Kentucky_isotope fumarate-13C1 U_Kentucky_isotope fumarate-13C2 U_Kentucky_isotope fumarate-13C3 U_Kentucky_isotope fumarate-13C4 U_Kentucky_isotope fumarate-ALL U_Kentucky_isotope GAB-13C0 U_Kentucky_isotope GAB-13C1 U_Kentucky_isotope GAB-13C2 U_Kentucky_isotope GAB-13C3 U_Kentucky_isotope GAB-13C4 U_Kentucky_isotope GAB-ALL U_Kentucky_isotope Gln-13C0 U_Kentucky_isotope Gln-13C1 U_Kentucky_isotope Gln-13C2 U_Kentucky_isotope Gln-13C3 U_Kentucky_isotope Gln-13C4 U_Kentucky_isotope Gln-13C5 U_Kentucky_isotope Gln-ALL U_Kentucky_isotope Glu-13C0 U_Kentucky_isotope Glu-13C1 U_Kentucky_isotope Glu-13C2 U_Kentucky_isotope Glu-13C3 U_Kentucky_isotope Glu-13C4 U_Kentucky_isotope Glu-13C5 U_Kentucky_isotope Glu-ALL U_Kentucky_isotope Gly-13C0 U_Kentucky_isotope Gly-13C1 U_Kentucky_isotope Gly-13C2 U_Kentucky_isotope Gly-ALL U_Kentucky_isotope His-13C0 U_Kentucky_isotope His-13C1 U_Kentucky_isotope His-13C2 U_Kentucky_isotope His-13C3 U_Kentucky_isotope His-13C4 U_Kentucky_isotope His-13C5 U_Kentucky_isotope His-13C6 U_Kentucky_isotope His-ALL U_Kentucky_isotope Ile-13C0 U_Kentucky_isotope Ile-13C1 U_Kentucky_isotope Ile-13C2 U_Kentucky_isotope Ile-13C3 U_Kentucky_isotope Ile-13C4 U_Kentucky_isotope Ile-13C5 U_Kentucky_isotope Ile-13C6 U_Kentucky_isotope Ile-ALL U_Kentucky_isotope lactate-13C0 U_Kentucky_isotope lactate-13C1 U_Kentucky_isotope lactate-13C2 U_Kentucky_isotope lactate-13C3 U_Kentucky_isotope lactate-ALL U_Kentucky_isotope Leu-13C0 U_Kentucky_isotope Leu-13C1 U_Kentucky_isotope Leu-13C2 U_Kentucky_isotope Leu-13C3 U_Kentucky_isotope Leu-13C4 U_Kentucky_isotope Leu-13C5 U_Kentucky_isotope Leu-13C6 U_Kentucky_isotope Leu-ALL U_Kentucky_isotope Lys-13C0 U_Kentucky_isotope Lys-13C1 U_Kentucky_isotope Lys-13C2 U_Kentucky_isotope Lys-13C3 U_Kentucky_isotope Lys-13C4 U_Kentucky_isotope Lys-13C5 U_Kentucky_isotope Lys-13C6 U_Kentucky_isotope Lys-ALL U_Kentucky_isotope Malate-13C0 U_Kentucky_isotope Malate-13C1 U_Kentucky_isotope Malate-13C2 U_Kentucky_isotope Malate-13C3 U_Kentucky_isotope Malate-13C4 U_Kentucky_isotope Malate-ALL U_Kentucky_isotope Met-13C0 U_Kentucky_isotope Met-13C1 U_Kentucky_isotope Met-13C2 U_Kentucky_isotope Met-13C3 U_Kentucky_isotope Met-13C4 U_Kentucky_isotope Met-13C5 U_Kentucky_isotope Met-ALL U_Kentucky_isotope Norleu-ALL U_Kentucky_isotope OHPro-13C0 U_Kentucky_isotope OHPro-13C1 U_Kentucky_isotope OHPro-13C2 U_Kentucky_isotope OHPro-13C3 U_Kentucky_isotope OHPro-13C4 U_Kentucky_isotope OHPro-13C5 U_Kentucky_isotope OHPro-ALL U_Kentucky_isotope Orn-13C0 U_Kentucky_isotope Orn-13C1 U_Kentucky_isotope Orn-13C2 U_Kentucky_isotope Orn-13C3 U_Kentucky_isotope Orn-13C4 U_Kentucky_isotope Orn-13C5 U_Kentucky_isotope Orn-ALL U_Kentucky_isotope Phe-13C0 U_Kentucky_isotope Phe-13C1 U_Kentucky_isotope Phe-13C2 U_Kentucky_isotope Phe-13C3 U_Kentucky_isotope Phe-13C4 U_Kentucky_isotope Phe-13C5 U_Kentucky_isotope Phe-13C6 U_Kentucky_isotope Phe-13C7 U_Kentucky_isotope Phe-13C8 U_Kentucky_isotope Phe-13C9 U_Kentucky_isotope Phe-ALL U_Kentucky_isotope PO4-ALL U_Kentucky_isotope Pro258-13C0 U_Kentucky_isotope Pro258-13C1 U_Kentucky_isotope Pro258-13C2 U_Kentucky_isotope Pro258-13C3 U_Kentucky_isotope Pro258-13C4 U_Kentucky_isotope Pro258-13C5 U_Kentucky_isotope Pro258-ALL U_Kentucky_isotope SeMet-ALL U_Kentucky_isotope Ser-13C0 U_Kentucky_isotope Ser-13C1 U_Kentucky_isotope Ser-13C2 U_Kentucky_isotope Ser-13C3 U_Kentucky_isotope Ser-ALL U_Kentucky_isotope Succinate-13C0 U_Kentucky_isotope Succinate-13C1 U_Kentucky_isotope Succinate-13C2 U_Kentucky_isotope Succinate-13C3 U_Kentucky_isotope Succinate-13C4 U_Kentucky_isotope Succinate-ALL U_Kentucky_isotope t-aconitate-13C0 U_Kentucky_isotope t-aconitate-13C1 U_Kentucky_isotope t-aconitate-13C2 U_Kentucky_isotope t-aconitate-13C3 U_Kentucky_isotope t-aconitate-13C4 U_Kentucky_isotope t-aconitate-13C5 U_Kentucky_isotope t-aconitate-13C6 U_Kentucky_isotope t-aconitate-ALL U_Kentucky_isotope Thr-13C0 U_Kentucky_isotope Thr-13C1 U_Kentucky_isotope Thr-13C2 U_Kentucky_isotope Thr-13C3 U_Kentucky_isotope Thr-13C4 U_Kentucky_isotope Thr-ALL U_Kentucky_isotope Trp-13C0 U_Kentucky_isotope Trp-13C1 U_Kentucky_isotope Trp-13C10 U_Kentucky_isotope Trp-13C11 U_Kentucky_isotope Trp-13C2 U_Kentucky_isotope Trp-13C3 U_Kentucky_isotope Trp-13C4 U_Kentucky_isotope Trp-13C5 U_Kentucky_isotope Trp-13C6 U_Kentucky_isotope Trp-13C7 U_Kentucky_isotope Trp-13C8 U_Kentucky_isotope Trp-13C9 U_Kentucky_isotope Trp-ALL U_Kentucky_isotope Tyr-13C0 U_Kentucky_isotope Tyr-13C1 U_Kentucky_isotope Tyr-13C2 U_Kentucky_isotope Tyr-13C3 U_Kentucky_isotope Tyr-13C4 U_Kentucky_isotope Tyr-13C5 U_Kentucky_isotope Tyr-13C6 U_Kentucky_isotope Tyr-13C7 U_Kentucky_isotope Tyr-13C8 U_Kentucky_isotope Tyr-13C9 U_Kentucky_isotope Tyr-ALL U_Kentucky_isotope Val-13C0 U_Kentucky_isotope Val-13C1 U_Kentucky_isotope Val-13C2 U_Kentucky_isotope Val-13C3 U_Kentucky_isotope Val-13C4 U_Kentucky_isotope Val-13C5 U_Kentucky_isotope Val-ALL U_Kentucky_isotope METABOLITES_END #END