#METABOLOMICS WORKBENCH huntermoseley_20141020_9943891_mwtab.txt DATATRACK_ID:175 STUDY_ID:ST000111 ANALYSIS_ID:AN000186 PROJECT_ID:PR000103 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE RCSIRM Outreach and Education 2014 Metabolomics Workshop PR:PROJECT_SUMMARY Demonstrating the utility and practicality of Stable Isotope Enriched Cell PR:PROJECT_SUMMARY to investigation of cell metabolism PR:INSTITUTE University of Kentucky PR:DEPARTMENT Toxicology PR:LAST_NAME Fan PR:FIRST_NAME Teresa PR:ADDRESS - PR:EMAIL twmfan@gmail.com PR:PHONE - #STUDY ST:STUDY_TITLE Study of biological variation in PC9 cell culture ST:STUDY_TYPE unlabeled ST:STUDY_SUMMARY Use extra plates seeded for workshop to investigate biological variation with ST:STUDY_SUMMARY tracer and no treatment 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 - #SUBJECT SU:SUBJECT_TYPE cell culture SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENOTYPE_STRAIN PC9 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 PC9_CTL_unL_19_29Jul14-plate PC9_CTL_unL_19_29Jul14-plate timepoint:24 hrs time_point=24; time_point%units=h; wet_weight=0.09988; wet_weight%units=g SUBJECT_SAMPLE_FACTORS PC9_CTL_unL_20_29Jul14-plate PC9_CTL_unL_20_29Jul14-plate timepoint:24 hrs time_point=24; time_point%units=h; wet_weight=0.09846; wet_weight%units=g SUBJECT_SAMPLE_FACTORS PC9_CTL_unL_21_29Jul14-plate PC9_CTL_unL_21_29Jul14-plate timepoint:24 hrs time_point=24; time_point%units=h; wet_weight=0.09977; wet_weight%units=g SUBJECT_SAMPLE_FACTORS PC9_CTL_unL_22_29Jul14-plate PC9_CTL_unL_22_29Jul14-plate timepoint:24 hrs time_point=24; time_point%units=h; wet_weight=0.09951; wet_weight%units=g SUBJECT_SAMPLE_FACTORS PC9_CTL_unL_23_29Jul14-plate PC9_CTL_unL_23_29Jul14-plate timepoint:24 hrs time_point=24; time_point%units=h; wet_weight=0.09891; wet_weight%units=g SUBJECT_SAMPLE_FACTORS PC9_CTL_unL_24_29Jul14-plate PC9_CTL_unL_24_29Jul14-plate timepoint:24 hrs time_point=24; time_point%units=h; wet_weight=0.1001; wet_weight%units=g SUBJECT_SAMPLE_FACTORS PC9_CTL_unL_25_29Jul14-plate PC9_CTL_unL_25_29Jul14-plate timepoint:24 hrs time_point=24; time_point%units=h; wet_weight=0.10012; wet_weight%units=g SUBJECT_SAMPLE_FACTORS PC9_CTL_unL_26_29Jul14-plate PC9_CTL_unL_26_29Jul14-plate timepoint:24 hrs time_point=24; time_point%units=h; wet_weight=0.09831; wet_weight%units=g SUBJECT_SAMPLE_FACTORS PC9_CTL_unL_27_29Jul14-plate PC9_CTL_unL_27_29Jul14-plate timepoint:24 hrs time_point=24; time_point%units=h; wet_weight=0.10096; wet_weight%units=g SUBJECT_SAMPLE_FACTORS PC9_CTL_unL_28_29Jul14-plate PC9_CTL_unL_28_29Jul14-plate timepoint:24 hrs time_point=24; time_point%units=h; wet_weight=0.10084; wet_weight%units=g SUBJECT_SAMPLE_FACTORS PC9_CTL_unL_29_29Jul14-plate PC9_CTL_unL_29_29Jul14-plate timepoint:24 hrs time_point=24; time_point%units=h; wet_weight=0.09971; wet_weight%units=g SUBJECT_SAMPLE_FACTORS PC9_CTL_unL_30_29Jul14-plate PC9_CTL_unL_30_29Jul14-plate timepoint:24 hrs time_point=24; time_point%units=h; wet_weight=0.09913; wet_weight%units=g #COLLECTION CO:COLLECTION_SUMMARY Plate media | Cell quench collection CO:COLLECTION_PROTOCOL_FILENAME 2014-07-29_WS_Fan_Quench_cell_tissue.pdf CO:COLLECTION_PROTOCOL_COMMENTS media collection from plate | Collection and quench of cells in tissue culture #TREATMENT TR:TREATMENT_SUMMARY - TR:TREATMENT_PROTOCOL_FILENAME 2014-07-29_WS_Fan_Cell_Tracer_Ex.pdf TR:TREATMENT_PROTOCOL_COMMENTS cell culture in unlabeled media for 24h #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Protein extraction | Polar extraction SP:SAMPLEPREP_PROTOCOL_FILENAME 2014-07-29_WS_Fan_Prep_Polar.pdf | 2014-07-29_WS_Fan_Prot_Quant.pdf SP:SAMPLEPREP_PROTOCOL_COMMENTS Preparation of polar samples for GCMS and NMR. | Protein extraction and #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 Peak area MS_METABOLITE_DATA_START Samples PC9_CTL_unL_19_29Jul14-plate PC9_CTL_unL_20_29Jul14-plate PC9_CTL_unL_21_29Jul14-plate PC9_CTL_unL_22_29Jul14-plate PC9_CTL_unL_23_29Jul14-plate PC9_CTL_unL_24_29Jul14-plate PC9_CTL_unL_25_29Jul14-plate PC9_CTL_unL_26_29Jul14-plate PC9_CTL_unL_27_29Jul14-plate PC9_CTL_unL_28_29Jul14-plate PC9_CTL_unL_29_29Jul14-plate PC9_CTL_unL_30_29Jul14-plate Factors timepoint:24 hrs timepoint:24 hrs timepoint:24 hrs timepoint:24 hrs timepoint:24 hrs timepoint:24 hrs timepoint:24 hrs timepoint:24 hrs timepoint:24 hrs timepoint:24 hrs timepoint:24 hrs timepoint:24 hrs a-glycerol-3P_1-13C0 0.3610 0.6733 0.5312 0.7284 0.7590 0.6182 0.6199 0.7163 0.5145 0.6334 0.7003 0.5832 a-glycerol-3P_1-13C1 0.0165 0.0559 0.0102 0.0449 a-glycerol-3P_1-13C2 0.0099 0.0111 0.0255 0.0050 a-glycerol-3P_1-13C3 0.0004 a-glycerol-3P_1-ALL 0.3610 0.6832 0.5477 0.7395 0.8148 0.6182 0.6555 0.7213 0.5594 0.6334 0.7003 0.5836 a-glycerol-3P_2-13C0 0.2881 0.5813 0.5230 0.6013 0.6844 0.4997 0.5768 0.5555 0.4692 0.5849 0.6017 0.5204 a-glycerol-3P_2-13C1 a-glycerol-3P_2-13C2 a-glycerol-3P_2-13C3 a-glycerol-3P_2-ALL 0.2881 0.5813 0.5230 0.6013 0.6844 0.4997 0.5768 0.5555 0.4692 0.5849 0.6017 0.5204 a-ketoglutarate-13C0 0.0154 0.0305 0.0280 0.0271 0.0323 0.0219 0.0397 0.0440 0.0234 0.0279 0.0349 0.0205 a-ketoglutarate-13C1 0.0001 0.0006 0.0010 0.0006 0.0010 0.0018 0.0017 0.0012 0.0013 0.0000 0.0006 a-ketoglutarate-13C2 0.0001 0.0004 0.0009 0.0006 0.0003 0.0007 0.0015 a-ketoglutarate-13C3 0.0003 a-ketoglutarate-13C4 0.0033 0.0031 0.0033 0.0038 0.0027 0.0024 0.0026 a-ketoglutarate-13C5 0.0026 0.0024 0.0008 0.0018 0.0035 0.0015 a-ketoglutarate-ALL 0.0154 0.0337 0.0293 0.0304 0.0366 0.0259 0.0462 0.0498 0.0291 0.0299 0.0424 0.0252 Ala-13C0 3.6906 6.7138 5.6989 6.7634 7.6096 5.5365 6.4928 6.3864 5.4733 6.1740 6.2351 5.3933 Ala-13C1 0.1151 0.2364 0.2562 0.3056 0.2599 0.2037 0.1947 0.2094 0.2335 0.2119 0.2360 0.1923 Ala-13C2 0.0046 0.0042 0.0297 0.0180 0.0545 0.0056 0.0427 Ala-13C3 0.0049 0.0238 0.0217 0.0220 0.0068 0.0055 0.0154 0.0225 0.0096 0.0086 Ala-ALL 3.8153 6.9782 5.9551 7.1204 7.9096 5.7470 6.7420 6.6013 5.7222 6.4139 6.5233 5.5942 Arg-13C0 0.2656 0.4667 0.4188 0.4815 0.5258 0.3916 0.4427 0.4145 0.3597 0.4742 0.5163 0.4146 Arg-13C1 0.0369 0.0830 0.0645 0.0717 0.0921 0.0708 0.0802 0.0695 0.0586 0.0840 0.0771 0.0643 Arg-13C2 0.0056 0.0123 0.0072 0.0041 0.0174 0.0083 0.0079 0.0054 0.0106 0.0048 0.0090 0.0161 Arg-13C3 0.0041 0.0153 0.0116 0.0257 0.0099 0.0129 0.0116 0.0212 0.0156 0.0039 0.0265 0.0115 Arg-13C4 0.0024 0.0014 0.0022 0.0022 0.0066 0.0113 0.0021 Arg-13C5 0.0009 0.0052 0.0016 0.0012 0.0046 Arg-13C6 Arg-ALL 0.3155 0.5773 0.5036 0.5829 0.6475 0.4909 0.5490 0.5105 0.4445 0.5798 0.6302 0.5132 ascorbate-13C0 ascorbate-13C1 ascorbate-13C2 ascorbate-13C3 ascorbate-13C4 ascorbate-13C5 ascorbate-13C6 ascorbate-ALL Asn-13C0 0.0893 0.1845 0.1418 0.1772 0.2106 0.1443 0.1830 0.1509 0.1325 0.1496 0.1643 0.1369 Asn-13C1 0.0049 0.0066 0.0047 0.0072 0.0074 0.0085 0.0086 0.0067 0.0062 0.0025 0.0081 0.0068 Asn-13C2 0.0010 0.0006 0.0056 0.0021 0.0020 0.0044 0.0033 0.0032 0.0010 0.0002 Asn-13C3 0.0012 0.0009 Asn-13C4 Asn-ALL 0.0952 0.1922 0.1472 0.1901 0.2201 0.1548 0.1924 0.1619 0.1421 0.1554 0.1734 0.1439 Asp-13C0 4.5710 9.1079 7.0289 9.0799 10.2577 7.2814 8.7196 8.1502 7.1239 7.2836 8.3671 7.1561 Asp-13C1 0.1306 0.3157 0.2847 0.2811 0.3763 0.1734 0.3169 0.3185 0.2311 0.3185 0.2261 0.3106 Asp-13C2 0.0704 0.0641 0.0461 0.1012 0.0367 0.0811 0.0709 0.0691 0.0728 0.0668 0.0867 0.0266 Asp-13C3 0.0046 0.0033 0.0123 0.0290 0.0329 0.0183 0.0170 Asp-13C4 0.0094 0.0065 0.0025 0.0052 Asp-ALL 4.7766 9.4971 7.3630 9.4745 10.6997 7.5687 9.1139 8.5378 7.4303 7.6872 8.6798 7.5155 bOHbutyrate-13C0 0.1014 0.1587 0.1247 0.1423 0.1843 0.1254 0.1444 0.1252 0.1099 0.1188 0.1203 0.0995 bOHbutyrate-13C1 bOHbutyrate-13C2 0.0002 bOHbutyrate-13C3 bOHbutyrate-13C4 bOHbutyrate-ALL 0.1016 0.1587 0.1247 0.1423 0.1843 0.1254 0.1444 0.1252 0.1099 0.1188 0.1203 0.0995 c-aconitate-13C0 0.0081 0.0169 0.0152 0.0184 0.0211 0.0170 0.0169 0.0159 0.0138 0.0145 0.0148 0.0129 c-aconitate-13C1 0.0010 0.0021 0.0011 0.0012 0.0010 0.0011 0.0010 0.0012 0.0016 0.0015 0.0009 0.0003 c-aconitate-13C2 0.0008 0.0019 0.0015 0.0009 0.0023 0.0009 0.0019 0.0022 0.0015 0.0004 0.0017 0.0005 c-aconitate-13C3 0.0004 0.0007 0.0003 0.0004 0.0003 0.0004 c-aconitate-13C4 0.0003 0.0005 c-aconitate-13C5 c-aconitate-13C6 c-aconitate-ALL 0.0098 0.0208 0.0185 0.0212 0.0243 0.0194 0.0203 0.0193 0.0170 0.0168 0.0177 0.0140 citrate-13C0 0.3751 0.7762 0.6006 0.8079 0.8847 0.6834 0.7464 0.6998 0.5815 0.5658 0.6583 0.5132 citrate-13C1 0.0121 0.0300 0.0223 0.0321 0.0305 0.0282 0.0279 0.0167 0.0263 0.0243 0.0208 0.0204 citrate-13C2 0.0024 0.0074 0.0087 0.0156 0.0104 0.0031 0.0128 0.0088 0.0070 0.0077 0.0036 0.0078 citrate-13C3 0.0003 0.0007 0.0005 0.0017 0.0041 0.0034 0.0026 0.0009 0.0016 citrate-13C4 0.0005 0.0009 0.0006 0.0001 0.0002 citrate-13C5 citrate-13C6 citrate-ALL 0.3904 0.8152 0.6320 0.8556 0.9273 0.7188 0.7871 0.7293 0.6176 0.5978 0.6838 0.5430 Cys-13C0 0.6836 1.4961 1.1660 1.3863 2.0348 1.4388 1.6727 1.2862 1.3237 0.9645 1.6239 1.0003 Cys-13C1 0.0322 0.0728 0.0343 0.0828 0.1124 0.0664 0.0705 0.0515 0.0542 0.0414 0.0973 0.0277 Cys-13C2 0.0351 0.0667 0.0690 0.0677 0.0892 0.0673 0.0677 0.0603 0.0581 0.0356 0.0736 0.0410 Cys-13C3 0.0037 0.0037 0.0097 0.0030 0.0015 0.0033 0.0133 0.0066 0.0059 0.0124 0.0110 0.0077 Cys-ALL 0.7546 1.6393 1.2791 1.5398 2.2379 1.5759 1.8241 1.4046 1.4419 1.0539 1.8058 1.0767 fumarate-13C0 0.2591 0.5236 0.4500 0.4951 0.6385 0.4122 0.4838 0.4311 0.3932 0.4165 0.4665 0.4288 fumarate-13C1 0.0131 0.0310 0.0247 0.0257 0.0358 0.0220 0.0242 0.0258 0.0193 0.0212 0.0235 0.0219 fumarate-13C2 0.0025 0.0057 0.0035 0.0033 0.0077 0.0045 0.0034 0.0050 0.0071 0.0046 0.0042 0.0054 fumarate-13C3 0.0015 0.0027 0.0023 0.0031 0.0014 0.0012 0.0001 0.0011 0.0016 0.0022 0.0020 fumarate-13C4 0.0001 0.0024 0.0003 0.0006 0.0007 0.0009 0.0013 0.0007 0.0005 0.0009 0.0009 0.0006 fumarate-ALL 0.2763 0.5653 0.4809 0.5277 0.6841 0.4408 0.5129 0.4637 0.4202 0.4447 0.4973 0.4587 GAB-13C0 0.2028 0.3752 0.3142 0.4349 0.3971 0.3716 0.3972 0.3179 0.2946 0.3639 0.4173 0.3534 GAB-13C1 0.0107 0.0299 0.0182 0.0293 0.0157 0.0175 0.0293 0.0185 0.0187 0.0222 0.0246 0.0257 GAB-13C2 0.0001 0.0100 0.0019 0.0067 0.0127 0.0030 0.0106 0.0086 0.0037 0.0113 0.0045 0.0038 GAB-13C3 0.0012 0.0044 0.0025 0.0038 0.0002 0.0033 0.0009 GAB-13C4 GAB-ALL 0.2136 0.4163 0.3343 0.4709 0.4300 0.3945 0.4409 0.3453 0.3170 0.4007 0.4473 0.3829 Gln-13C0 12.3181 24.2117 18.7619 24.2196 26.7078 20.3030 24.3981 23.2974 19.0990 21.5881 24.4398 21.6537 Gln-13C1 0.5955 1.1596 0.8550 0.8672 1.0962 0.8432 0.8844 1.0009 0.8860 0.9219 1.1620 0.9276 Gln-13C2 0.1226 0.1610 0.1480 0.1716 0.1655 0.2303 0.1421 0.2279 0.1749 0.1685 0.1740 0.1612 Gln-13C3 0.0637 0.0352 0.0889 0.0840 0.0219 0.0604 0.0787 0.0255 0.0488 0.0402 0.0629 Gln-13C4 0.0040 0.0207 0.0051 Gln-13C5 0.0001 Gln-ALL 13.0362 25.5959 19.8041 25.3473 28.0535 21.3984 25.5057 24.6049 20.1855 22.7273 25.8210 22.8055 Glu-13C0 11.8781 22.4040 18.7682 23.4993 26.0593 19.4676 23.5038 21.2477 18.9458 21.0968 23.4398 19.8121 Glu-13C1 0.6396 1.2616 0.9138 1.2196 1.4485 1.0323 1.3104 0.8713 0.9694 1.0053 1.3049 1.0166 Glu-13C2 0.1743 0.3482 0.2729 0.2496 0.3413 0.2290 0.1433 0.2711 0.1859 0.2004 0.3799 0.2070 Glu-13C3 0.0227 0.0268 0.0400 0.0118 0.0247 0.1071 0.0553 0.0211 0.0575 0.0760 Glu-13C4 0.0056 0.0149 0.0006 0.0009 Glu-13C5 0.0025 Glu-ALL 12.7147 24.0195 19.9816 25.0233 27.8610 20.7535 25.0645 22.4454 20.1222 22.3605 25.1279 21.1117 Gly-13C0 5.5263 11.3504 8.9874 10.7103 12.4736 8.7538 10.7595 9.8216 8.6125 9.5377 10.2088 8.4678 Gly-13C1 0.1746 0.2023 0.2132 0.2702 0.3793 0.2282 0.2913 0.1296 0.1933 0.2168 0.3011 0.1560 Gly-13C2 0.0548 0.1011 0.0332 0.0378 0.0636 0.0947 0.0532 0.0743 0.0692 0.0495 0.0391 Gly-ALL 5.7558 11.6538 9.2338 11.0183 12.9165 9.0767 11.1040 10.0255 8.8751 9.8040 10.5099 8.6629 His-13C0 0.6134 0.9624 0.8740 1.1770 1.1857 0.9434 1.2866 1.2168 0.8771 0.9243 1.1445 0.9887 His-13C1 0.0335 0.0237 0.0338 0.0908 0.0949 0.0364 0.0305 0.0247 0.0779 0.0434 0.0370 0.0856 His-13C2 0.0055 0.0106 0.0083 0.0054 0.0002 0.0089 0.0035 0.0001 0.0124 His-13C3 0.0024 0.0084 0.0036 0.0053 0.0136 0.0047 0.0085 0.0059 0.0070 0.0065 0.0113 His-13C4 0.0012 0.0015 0.0022 0.0023 0.0012 His-13C5 0.0009 0.0012 0.0031 0.0026 0.0028 0.0039 0.0026 0.0026 0.0015 0.0040 0.0018 His-13C6 0.0013 0.0029 0.0035 0.0022 0.0024 0.0015 0.0020 0.0035 0.0050 0.0028 0.0033 His-ALL 0.6515 1.0053 0.9288 1.2862 1.3049 0.9916 1.3303 1.2557 0.9725 0.9867 1.1981 1.0929 Ile-13C0 2.5365 4.9521 4.0340 4.8287 5.6183 4.0312 4.7606 4.5922 3.9353 4.4988 5.1178 4.1357 Ile-13C1 0.1982 0.3459 0.3036 0.3493 0.3250 0.2924 0.3401 0.3375 0.3191 0.3785 0.3432 0.2799 Ile-13C2 0.0276 0.0584 0.0406 0.0200 0.0612 0.0287 0.0517 0.0138 0.0159 0.0350 0.0073 Ile-13C3 0.0046 0.0054 0.0139 0.0106 0.0080 0.0014 0.0068 0.0127 Ile-13C4 0.0022 0.0050 0.0020 0.0027 0.0026 0.0043 Ile-13C5 0.0008 0.0030 0.0039 0.0021 0.0021 0.0040 0.0038 Ile-13C6 0.0014 0.0033 0.0014 0.0022 Ile-ALL 2.7683 5.3594 4.3782 5.2085 6.0213 4.3523 5.1721 4.9576 4.2765 4.9162 5.4678 4.4459 lactate-13C0 4.1781 7.8642 6.1133 6.9279 7.3683 5.5316 7.2048 5.9934 5.5506 6.0670 6.3854 5.7870 lactate-13C1 0.0731 0.1457 0.1317 0.2280 0.2025 0.1303 0.1860 0.1706 0.1141 0.1738 0.0942 0.1806 lactate-13C2 0.0506 0.0283 0.0468 0.0294 0.0033 0.0245 0.0540 0.0200 0.0103 0.0458 0.0430 lactate-13C3 0.0326 0.0257 0.0233 0.0223 0.0493 0.0097 0.0408 0.0201 0.0249 0.0217 0.0331 0.0249 lactate-ALL 4.3344 8.0640 6.3151 7.2076 7.6234 5.6961 7.4856 6.2041 5.6999 6.2624 6.5585 6.0354 Leu-13C0 2.7215 5.0183 4.1739 4.9667 5.6017 4.0939 4.9354 4.7250 3.9230 4.7366 5.0339 4.1885 Leu-13C1 0.2008 0.3587 0.2576 0.3879 0.4034 0.2924 0.3692 0.3186 0.2987 0.3263 0.3736 0.2997 Leu-13C2 0.0385 0.0342 0.0468 0.0208 0.0778 0.0296 0.0145 0.0326 0.0403 0.0246 0.0281 0.0255 Leu-13C3 0.0575 0.0737 0.0606 0.0494 0.0572 0.0347 0.0764 0.0503 0.0484 0.0465 0.0466 0.0498 Leu-13C4 0.0012 0.0016 0.0048 0.0145 0.0064 0.0034 0.0010 0.0024 0.0129 0.0043 0.0100 Leu-13C5 0.0084 0.0013 0.0004 0.0031 0.0014 0.0054 0.0049 0.0031 Leu-13C6 0.0023 0.0061 0.0034 0.0044 0.0018 0.0055 0.0044 0.0001 0.0052 0.0030 Leu-ALL 3.0217 5.5011 4.5483 5.4441 6.1450 4.4571 5.4004 5.1331 4.3226 5.1519 5.4918 4.5796 Lys-13C0 0.0017 0.0046 0.0028 0.0031 0.0037 0.0029 0.0042 0.0031 0.0030 0.0036 0.0039 0.0034 Lys-13C1 0.0006 0.0004 0.0011 0.0017 0.0004 0.0003 0.0005 0.0005 0.0008 0.0007 0.0006 0.0008 Lys-13C2 0.0004 Lys-13C3 Lys-13C4 Lys-13C5 Lys-13C6 Lys-ALL 0.0023 0.0050 0.0039 0.0047 0.0041 0.0032 0.0047 0.0036 0.0038 0.0042 0.0049 0.0043 Malate-13C0 0.9513 1.7537 1.4380 1.7601 2.1787 1.4754 1.6418 1.3975 1.3851 1.5032 1.4948 1.2279 Malate-13C1 0.0285 0.0699 0.0537 0.0621 0.0538 0.0589 0.0688 0.0474 0.0587 0.0492 0.0565 0.0414 Malate-13C2 0.0098 0.0198 0.0130 0.0157 0.0225 0.0071 0.0202 0.0064 0.0039 0.0204 0.0270 0.0190 Malate-13C3 0.0031 0.0024 0.0011 0.0088 0.0001 0.0071 0.0014 0.0010 Malate-13C4 Malate-ALL 0.9927 1.8459 1.5047 1.8390 2.2639 1.5415 1.7308 1.4584 1.4492 1.5737 1.5783 1.2882 Met-13C0 0.8209 1.5688 1.2760 1.5300 1.7337 1.2438 1.5908 1.5117 1.2808 1.4656 1.6074 1.3429 Met-13C1 0.0484 0.0862 0.0940 0.1207 0.1228 0.0908 0.1136 0.0940 0.0973 0.1077 0.1163 0.0925 Met-13C2 0.0518 0.1053 0.0696 0.0695 0.1095 0.0650 0.0920 0.0901 0.0739 0.0665 0.0736 0.0811 Met-13C3 0.0060 0.0075 0.0094 0.0141 0.0132 0.0107 0.0142 0.0050 0.0056 0.0112 0.0155 0.0124 Met-13C4 0.0023 0.0034 0.0039 0.0074 0.0027 0.0026 0.0062 0.0044 0.0059 0.0043 Met-13C5 0.8193 1.5662 1.2734 1.5264 1.7306 1.2415 1.5884 1.5088 1.2785 1.4625 1.6042 1.3408 Met-ALL 1.7485 3.3374 2.7263 3.2681 3.7124 2.6544 3.3990 3.2159 2.7405 3.1195 3.4212 2.8697 Norleu-ALL OHPro-13C0 0.0317 0.0581 0.0566 0.0667 0.0850 0.0626 0.0685 0.0676 0.0535 0.0533 0.0625 0.0579 OHPro-13C1 0.0030 0.0095 0.0044 0.0069 0.0107 0.0043 0.0104 0.0016 0.0105 0.0049 0.0109 0.0092 OHPro-13C2 0.0038 0.0097 0.0017 0.0025 0.0053 0.0009 0.0045 OHPro-13C3 0.0019 0.0024 0.0019 0.0011 0.0004 0.0029 OHPro-13C4 OHPro-13C5 OHPro-ALL 0.0366 0.0714 0.0707 0.0777 0.0976 0.0705 0.0793 0.0745 0.0649 0.0627 0.0763 0.0671 Orn-13C0 0.0701 0.0949 0.0891 0.0860 0.1056 0.0721 0.1090 0.1035 0.0750 0.0866 0.1048 0.0881 Orn-13C1 0.0229 0.0071 0.0103 0.0325 0.0132 0.0143 0.0119 0.0117 0.0100 0.0183 0.0155 Orn-13C2 0.0013 0.0014 0.0030 0.0010 0.0011 0.0016 0.0019 0.0009 0.0042 0.0036 Orn-13C3 0.0008 0.0045 0.0017 0.0021 0.0017 0.0057 0.0023 0.0012 0.0026 0.0058 0.0041 Orn-13C4 Orn-13C5 Orn-ALL 0.0722 0.1238 0.1010 0.0974 0.1402 0.0881 0.1306 0.1196 0.0888 0.1035 0.1325 0.1077 Phe-13C0 1.5598 2.9632 2.4086 2.9374 3.3486 2.4402 2.8682 2.7722 2.3228 2.6078 2.9639 2.5049 Phe-13C1 0.1393 0.3174 0.2503 0.3063 0.3495 0.2358 0.3165 0.3023 0.2339 0.2957 0.3324 0.2466 Phe-13C2 0.0071 0.0325 0.0275 0.0329 0.0157 0.0292 0.0294 0.0048 0.0369 0.0366 0.0203 0.0289 Phe-13C3 0.0027 0.0065 0.0031 0.0110 0.0011 0.0123 0.0107 0.0031 0.0025 0.0016 0.0045 Phe-13C4 0.0032 0.0019 0.0019 0.0012 0.0009 0.0001 0.0040 0.0004 Phe-13C5 0.0036 0.0056 0.0117 0.0099 0.0092 0.0080 0.0054 0.0162 0.0060 0.0040 0.0147 0.0086 Phe-13C6 0.0031 0.0109 0.0032 0.0061 0.0106 0.0063 0.0115 0.0123 0.0025 0.0077 0.0112 0.0007 Phe-13C7 0.0035 0.0182 0.0069 0.0074 0.0058 0.0117 0.0034 0.0033 0.0055 0.0118 0.0005 0.0049 Phe-13C8 0.0017 0.0071 0.0126 0.0080 0.0039 0.0033 0.0066 0.0159 0.0078 Phe-13C9 0.0040 0.0067 0.0011 0.0055 0.0113 0.0120 0.0023 0.0060 0.0009 0.0040 Phe-ALL 1.7280 3.3629 2.7163 3.3230 3.7628 2.7412 3.2587 3.1281 2.6199 2.9776 3.3605 2.8113 PO4-ALL Pro-13C0 0.3678 0.7460 0.6348 0.7681 0.8681 0.5981 0.7126 0.7234 0.5980 0.6571 0.7338 0.6384 Pro-13C1 0.0221 0.0363 0.0305 0.0425 0.0542 0.0424 0.0378 0.0440 0.0328 0.0510 0.0416 0.0402 Pro-13C2 0.0046 0.0105 0.0063 0.0091 0.0067 0.0081 0.0118 0.0048 0.0090 0.0007 0.0083 0.0057 Pro-13C3 0.0023 0.0223 0.0037 0.0088 0.0098 0.0029 0.0010 0.0051 0.0021 0.0057 0.0097 Pro-13C4 0.0103 0.0273 0.0038 0.0074 0.0051 0.0101 0.0138 0.0096 0.0179 0.0107 0.0137 0.0037 Pro-13C5 0.0019 0.0047 0.0046 0.0097 0.0045 0.0086 0.0009 0.0040 0.0094 0.0093 Pro-ALL 0.4091 0.8425 0.6839 0.8317 0.9527 0.6730 0.7875 0.7828 0.6636 0.7256 0.8124 0.7071 SeMet_NF-ALL Ser-13C0 3.4493 6.7071 5.3677 6.9056 7.5826 5.6981 6.6882 6.3983 5.4867 5.9377 6.5680 5.5194 Ser-13C1 0.1100 0.1365 0.1846 0.1056 0.2106 0.1329 0.1969 0.1755 0.1157 0.1771 0.2416 0.2277 Ser-13C2 0.0257 0.0612 0.0621 0.0299 0.0392 0.0175 0.0710 0.0423 0.0091 0.0548 Ser-13C3 0.0115 0.0043 0.0260 0.0081 0.0142 0.0203 0.0058 0.0199 0.0147 Ser-ALL 3.5851 6.9163 5.5566 7.0993 7.8312 5.8845 6.9228 6.6449 5.6505 6.1438 6.8644 5.7618 Succinate-13C0 0.2227 1.3452 0.3788 0.4156 0.5259 0.3735 0.4317 0.3588 0.4280 1.0661 0.4565 0.4605 Succinate-13C1 0.0534 0.1157 0.0343 0.0542 0.0624 0.0490 0.0485 0.0344 0.0549 0.0960 0.0499 0.0410 Succinate-13C2 0.0037 0.0291 0.0025 0.0113 0.0038 0.0084 0.0103 0.0132 0.0060 0.0138 0.0113 0.0026 Succinate-13C3 0.0040 0.0026 0.0006 0.0038 0.0004 0.0042 0.0006 0.0018 Succinate-13C4 0.0007 0.0075 0.0047 0.0017 0.0056 0.0029 0.0042 0.0058 0.0052 0.0004 0.0033 0.0044 Succinate-ALL 0.2805 1.5015 0.4230 0.4834 0.5977 0.4376 0.4951 0.4123 0.4941 1.1804 0.5216 0.5102 Thr-13C0 10.5610 19.5771 17.8574 21.6897 23.1107 17.7873 21.5017 20.1760 15.9855 19.8796 21.0401 18.9117 Thr-13C1 0.3218 0.7171 0.6773 0.7343 0.9012 0.5977 0.5951 0.7782 0.5916 0.9197 0.8915 0.6490 Thr-13C2 0.1149 0.0728 0.1236 0.1711 0.1963 0.1407 0.1528 0.1095 0.0130 0.1378 0.0494 0.1753 Thr-13C3 0.0311 0.0242 0.0357 0.0389 0.0541 0.0305 0.0185 Thr-13C4 0.0043 0.0058 0.0190 0.0015 Thr-ALL 10.9977 20.3982 18.6868 22.6366 24.2471 18.5798 22.2495 21.0637 16.6397 20.9370 22.0010 19.7360 Trp-13C0 0.0788 0.1333 0.1240 0.1603 0.1744 0.1227 0.1754 0.1582 0.1222 0.1167 0.1469 0.1130 Trp-13C1 0.0093 0.0190 0.0160 0.0205 0.0306 0.0206 0.0208 0.0272 0.0244 0.0225 0.0206 0.0174 Trp-13C10 Trp-13C11 Trp-13C2 0.0016 0.0010 0.0043 0.0007 0.0042 0.0020 Trp-13C3 0.0017 0.0002 0.0005 0.0006 Trp-13C4 Trp-13C5 0.0055 0.0045 0.0026 0.0049 Trp-13C6 0.0028 0.0028 0.0033 Trp-13C7 0.0061 0.0026 0.0065 0.0048 0.0022 Trp-13C8 0.0067 0.0063 0.0044 0.0120 0.0059 0.0073 0.0026 0.0071 0.0031 0.0079 0.0031 Trp-13C9 0.0015 0.0016 0.0055 0.0018 0.0019 0.0038 0.0022 0.0021 0.0026 Trp-ALL 0.0896 0.1722 0.1515 0.1978 0.2298 0.1544 0.2100 0.1972 0.1614 0.1457 0.1824 0.1381 Tyr-13C0 1.5957 3.0581 2.4779 3.0601 3.3943 2.5338 3.0345 2.8840 2.4368 2.7677 3.0865 2.5589 Tyr-13C1 0.1501 0.2614 0.2171 0.2607 0.3235 0.2133 0.2462 0.2422 0.1973 0.2461 0.2600 0.2018 Tyr-13C2 0.0153 0.0322 0.0163 0.0150 0.0160 0.0241 0.0333 0.0308 0.0218 0.0039 0.0238 0.0191 Tyr-13C3 0.0007 0.0004 0.0056 0.0072 0.0008 0.0005 0.0096 0.0132 0.0011 0.0084 0.0049 0.0078 Tyr-13C4 0.0030 0.0003 0.0020 0.0016 0.0049 0.0002 Tyr-13C5 0.0005 0.0005 0.0020 0.0017 0.0016 0.0017 0.0028 0.0005 0.0034 Tyr-13C6 0.0002 0.0005 0.0006 0.0015 0.0005 0.0008 Tyr-13C7 0.0001 0.0004 0.0004 0.0004 0.0005 0.0003 0.0003 0.0002 0.0004 0.0004 0.0005 0.0002 Tyr-13C8 0.0018 0.0018 0.0026 0.0030 0.0017 0.0016 0.0015 0.0019 Tyr-13C9 0.0011 0.0016 0.0056 0.0019 0.0039 0.0013 0.0015 0.0034 0.0011 0.0034 0.0036 0.0020 Tyr-ALL 1.7638 3.3581 2.7266 3.3490 3.7458 2.7766 3.3312 3.1760 2.6635 3.0327 3.3866 2.7908 Val-13C0 2.3418 4.5989 3.7735 4.3869 5.1205 3.6944 4.5546 4.1930 3.6048 4.2557 4.5993 3.7722 Val-13C1 0.1501 0.3037 0.2226 0.2843 0.2483 0.2425 0.2608 0.2872 0.2134 0.2707 0.2926 0.2393 Val-13C2 0.0232 0.0448 0.0229 0.0387 0.0440 0.0217 0.0111 0.0446 0.0328 0.0327 0.0650 0.0220 Val-13C3 0.0039 0.0057 0.0030 0.0083 0.0214 0.0071 0.0023 0.0180 0.0000 Val-13C4 0.0004 0.0038 0.0022 0.0019 0.0066 Val-13C5 0.0022 0.0035 0.0022 0.0067 0.0056 0.0048 0.0063 Val-ALL 2.5212 4.9531 4.0260 4.7137 5.4234 3.9799 4.8377 4.5337 3.8565 4.5886 4.9632 4.0336 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-13C6 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 c-aconitate-13C0 U_Kentucky_isotope c-aconitate-13C1 U_Kentucky_isotope c-aconitate-13C2 U_Kentucky_isotope c-aconitate-13C3 U_Kentucky_isotope c-aconitate-13C4 U_Kentucky_isotope c-aconitate-13C5 U_Kentucky_isotope c-aconitate-13C6 U_Kentucky_isotope c-aconitate-ALL 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 Pro-13C0 U_Kentucky_isotope Pro-13C1 U_Kentucky_isotope Pro-13C2 U_Kentucky_isotope Pro-13C3 U_Kentucky_isotope Pro-13C4 U_Kentucky_isotope Pro-13C5 U_Kentucky_isotope Pro-ALL U_Kentucky_isotope SeMet_NF-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 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