#METABOLOMICS WORKBENCH huntermoseley_20141008_9835911_mwtab.txt DATATRACK_ID:174 STUDY_ID:ST000113 ANALYSIS_ID:AN000191 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/15N] labeled ST:STUDY_TITLE medium (Positive ion mode FTMS) ST:STUDY_TYPE tracer ST:STUDY_SUMMARY SIRM Analysis of MYC inducible P493 cells under normoxia and hypoxia in ST:STUDY_SUMMARY labeled Glutamine 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:NUM_GROUPS 4 ST:TOTAL_SUBJECTS 8 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). 13C/15N Gln was used as the tracer ST:STUDY_COMMENTS this study, even though the analysis did not explicity look for 15N #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/15N-Gln-plate-1 Oxygen Condition:hypoxia | Treatment:None dry_weight=2.3000; dry_weight%units=mg; cell quench wet_weight=31.7000; cell quench wet_weight%units=mg; lipid extraction wet_weight=539.9; lipid extraction wet_weight%units=mg SUBJECT_SAMPLE_FACTORS - hypox-13C/15N-Gln-plate-2 Oxygen Condition:hypoxia | Treatment:None dry_weight=3.0000; dry_weight%units=mg; cell quench wet_weight=35.2000; cell quench wet_weight%units=mg; lipid extraction wet_weight=536.7; lipid extraction wet_weight%units=mg SUBJECT_SAMPLE_FACTORS - tet-hypox-13C/15N-Gln-plate-1 Oxygen Condition:hypoxia | Treatment:Tetracycline dry_weight=2.3000; dry_weight%units=mg; cell quench wet_weight=32.3000; cell quench wet_weight%units=mg; lipid extraction wet_weight=529.9; lipid extraction wet_weight%units=mg SUBJECT_SAMPLE_FACTORS - tet-hypox-13C/15N-Gln-plate-2 Oxygen Condition:hypoxia | Treatment:Tetracycline dry_weight=2.5000; dry_weight%units=mg; cell quench wet_weight=32.3000; cell quench wet_weight%units=mg; lipid extraction wet_weight=535.6; lipid extraction wet_weight%units=mg SUBJECT_SAMPLE_FACTORS - normox-13C/15N-Gln-plate-1 Oxygen Condition:normoxia | Treatment:None dry_weight=3.7000; dry_weight%units=mg; cell quench wet_weight=47.0000; cell quench wet_weight%units=mg; lipid extraction wet_weight=473.3; lipid extraction wet_weight%units=mg SUBJECT_SAMPLE_FACTORS - normox-13C/15N-Gln-plate-2 Oxygen Condition:normoxia | Treatment:None dry_weight=3.4000; dry_weight%units=mg; cell quench wet_weight=45.5000; cell quench wet_weight%units=mg; lipid extraction wet_weight=523.5; lipid extraction wet_weight%units=mg SUBJECT_SAMPLE_FACTORS - tet-normox-13C/15N-Gln-plate-1 Oxygen Condition:normoxia | Treatment:Tetracycline dry_weight=2.7000; dry_weight%units=mg; cell quench wet_weight=35.2000; cell quench wet_weight%units=mg; lipid extraction wet_weight=530.7; lipid extraction wet_weight%units=mg SUBJECT_SAMPLE_FACTORS - tet-normox-13C/15N-Gln-plate-2 Oxygen Condition:normoxia | Treatment:Tetracycline dry_weight=2.8000; dry_weight%units=mg; cell quench wet_weight=35.1000; cell quench wet_weight%units=mg; lipid extraction wet_weight=535.9; lipid extraction wet_weight%units=mg #COLLECTION CO:COLLECTION_SUMMARY - CO:COLLECTION_PROTOCOL_COMMENTS media collection from plate | Collection and quench of cells in tissue culture #TREATMENT TR:TREATMENT_SUMMARY - TR:TREATMENT_PROTOCOL_COMMENTS tet-normox-13C/15N-Gln: cell culture under normoxia with 1ug/ml Tetracycline TR:TREATMENT_PROTOCOL_COMMENTS 24hr + 24hr with [U-13C/15N]-Gln | normox-13C/15N-Gln: cell culture under TR:TREATMENT_PROTOCOL_COMMENTS for 24hr + 24hr with [U-13C/15N]-Gln | hypox-13C/15N-Gln: cell culture under TR:TREATMENT_PROTOCOL_COMMENTS for 24hr + 24hr with [U-13C/15N]-Gln | tet-hypox-13C/15N-Gln: cell culture TR:TREATMENT_PROTOCOL_COMMENTS hypoxia with 1ug/ml Tetracycline for 24hr + 24hr with [U-13C/15N]-Gln #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_COMMENTS Protein extraction and quantification. | Lipid extraction and preparation for 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/15N-Gln-plate-1 hypox-13C/15N-Gln-plate-2 tet-hypox-13C/15N-Gln-plate-1 tet-hypox-13C/15N-Gln-plate-2 normox-13C/15N-Gln-plate-1 normox-13C/15N-Gln-plate-2 tet-normox-13C/15N-Gln-plate-1 tet-normox-13C/15N-Gln-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-[13C_15N]0 a-glycerol-3P_1-[13C_15N]1 a-glycerol-3P_1-[13C_15N]2 0.1149 0.1412 0.1211 0.1255 0.0212 0.0415 0.0722 0.0374 a-glycerol-3P_1-[13C_15N]3 a-glycerol-3P_1-ALL a-glycerol-3P_2-[13C_15N]0 0.3064 0.4186 0.3298 0.3286 0.0460 0.1136 0.1658 0.0810 a-glycerol-3P_2-[13C_15N]1 0.0069 0.0026 0.0038 a-glycerol-3P_2-[13C_15N]2 0.0081 0.0059 0.0038 0.0059 0.0004 0.0001 0.0005 0.0019 a-glycerol-3P_2-[13C_15N]3 0.0019 0.0002 0.0005 a-glycerol-3P_2-ALL 0.3214 0.4245 0.3355 0.3346 0.0465 0.1140 0.1694 0.0867 a-ketoglutarate-[13C_15N]0 0.0052 0.0211 0.0052 0.0084 0.0122 0.0051 a-ketoglutarate-[13C_15N]1 0.0049 0.0010 0.0087 0.0022 a-ketoglutarate-[13C_15N]2 0.0117 0.0065 0.0004 0.0050 a-ketoglutarate-[13C_15N]3 0.0168 a-ketoglutarate-[13C_15N]4 0.0210 a-ketoglutarate-[13C_15N]5 0.0174 0.0526 0.0211 a-ketoglutarate-ALL 0.0392 0.0802 0.0444 0.0171 0.0144 0.0310 Ala-[13C_15N]0 0.3916 0.4653 0.3652 0.3292 0.2743 0.5599 0.3485 0.1568 Ala-[13C_15N]1 0.1328 0.1455 0.0564 0.0486 0.1551 0.3502 0.0500 0.0211 Ala-[13C_15N]2 0.0079 0.0097 0.0022 0.0066 0.0125 0.0013 0.0026 0.0023 Ala-[13C_15N]3 0.0080 0.0063 0.0028 0.0040 0.0060 0.0048 0.0034 0.0026 Ala-ALL 0.5403 0.6268 0.4266 0.3884 0.4478 0.9163 0.4045 0.1828 Arg-[13C_15N]0 0.4708 0.6774 0.4391 0.4389 0.5416 0.8754 0.5267 0.2387 Arg-[13C_15N]1 0.0146 0.0609 0.0133 0.0111 0.0138 Arg-[13C_15N]2 0.0025 Arg-[13C_15N]3 Arg-[13C_15N]4 0.0011 Arg-[13C_15N]5 0.0035 Arg-[13C_15N]6 Arg-ALL 0.4864 0.7383 0.4559 0.4415 0.5527 0.8754 0.5267 0.2526 ascorbate-[13C_15N]0 ascorbate-[13C_15N]1 ascorbate-[13C_15N]2 ascorbate-[13C_15N]3 ascorbate-[13C_15N]4 ascorbate-[13C_15N]5 ascorbate-[13C_15N]6 ascorbate-ALL Asn-[13C_15N]0 0.6743 0.7051 0.5598 0.5690 0.3252 0.8507 1.1455 0.6458 Asn-[13C_15N]1 0.0094 0.0164 0.0306 0.0289 0.0149 0.0533 0.0701 0.0345 Asn-[13C_15N]2 0.0007 0.0173 0.0182 0.0121 0.0006 0.0080 0.0340 0.0005 Asn-[13C_15N]3 0.0060 0.0043 0.0022 0.0036 0.0032 0.0103 0.0045 Asn-[13C_15N]4 0.0060 0.0029 0.0035 0.0005 0.0012 0.0066 0.0032 Asn-ALL 0.6965 0.7460 0.6121 0.6128 0.3454 0.9219 1.2599 0.6885 Asp-[13C_15N]0 0.0397 0.0768 0.0590 0.0824 0.0488 0.0454 0.1438 0.0949 Asp-[13C_15N]1 0.1298 0.1330 0.2228 0.2156 0.0999 0.1551 0.7228 0.3397 Asp-[13C_15N]2 0.0792 0.1034 0.0982 0.0857 0.0921 0.1453 0.3536 0.1562 Asp-[13C_15N]3 0.0478 0.0644 0.0518 0.0492 0.0322 0.0659 0.1926 0.0698 Asp-[13C_15N]4 0.0731 0.0909 0.0501 0.0528 0.0367 0.0626 0.0917 0.0657 Asp-ALL 0.3696 0.4684 0.4819 0.4857 0.3097 0.4743 1.5045 0.7263 bOHbutyrate-[13C_15N]0 0.2581 0.2272 0.1898 0.1831 0.2439 0.2842 0.3663 0.1872 bOHbutyrate-[13C_15N]1 0.0131 0.0065 0.0284 0.0231 0.0003 bOHbutyrate-[13C_15N]2 0.1047 0.0757 0.0983 0.1384 0.0342 0.0954 0.1686 0.0793 bOHbutyrate-[13C_15N]3 0.0017 0.0182 0.0026 bOHbutyrate-[13C_15N]4 0.0008 0.0043 0.0079 0.0008 0.0159 0.0110 bOHbutyrate-ALL 0.3654 0.3202 0.3024 0.3498 0.2789 0.3955 0.5762 0.2804 citrate-[13C_15N]0 0.0252 0.0331 0.0512 0.0586 0.0721 0.1395 0.1946 0.0836 citrate-[13C_15N]1 0.0169 0.0179 0.0219 0.0152 0.0382 0.0857 0.0555 0.0339 citrate-[13C_15N]2 0.0191 0.0306 0.0199 0.0203 0.0384 0.0926 0.0315 0.0210 citrate-[13C_15N]3 0.0252 0.0296 0.0163 0.0204 0.0492 0.0829 0.0232 0.0153 citrate-[13C_15N]4 0.0397 0.0531 0.0263 0.0238 0.0435 0.1109 0.0380 0.0163 citrate-[13C_15N]5 0.0300 0.0396 0.0186 0.0152 0.0340 0.0634 0.0180 0.0114 citrate-[13C_15N]6 0.0058 0.0109 0.0010 0.0037 0.0067 0.0131 0.0035 0.0030 citrate-ALL 0.1619 0.2149 0.1551 0.1572 0.2820 0.5881 0.3643 0.1845 Cys-[13C_15N]0 7.0436 4.8186 9.8646 8.3407 0.7691 3.1068 8.6463 3.8311 Cys-[13C_15N]1 3.7581 4.6527 5.4005 5.8503 0.8916 4.1371 5.0090 2.2747 Cys-[13C_15N]2 0.6589 0.4256 0.6887 0.4510 0.1109 0.2014 0.6191 0.3168 Cys-[13C_15N]3 0.3929 0.3054 0.1623 0.3744 0.1282 0.2985 0.3519 0.0433 Cys-ALL 11.8535 10.2023 16.1161 15.0163 1.8997 7.7438 14.6263 6.4659 fumarate-[13C_15N]0 0.0445 0.0503 0.0428 0.0462 0.0228 0.0568 0.0611 0.0333 fumarate-[13C_15N]1 0.0063 0.0066 0.0069 0.0052 0.0087 0.0173 0.0113 0.0061 fumarate-[13C_15N]2 0.0097 0.0170 0.0079 0.0081 0.0130 0.0246 0.0149 0.0092 fumarate-[13C_15N]3 0.0093 0.0143 0.0042 0.0040 0.0081 0.0155 0.0050 0.0036 fumarate-[13C_15N]4 0.0247 0.0338 0.0094 0.0102 0.0203 0.0394 0.0132 0.0060 fumarate-ALL 0.0945 0.1219 0.0712 0.0737 0.0728 0.1536 0.1056 0.0582 GAB-[13C_15N]0 0.0200 0.0190 0.0170 0.0176 0.0052 0.0099 0.0149 0.0055 GAB-[13C_15N]1 0.0003 0.0009 0.0012 0.0006 0.0013 0.0015 0.0005 GAB-[13C_15N]2 0.0007 0.0004 0.0001 0.0001 0.0002 GAB-[13C_15N]3 0.0001 0.0000 0.0006 0.0001 0.0003 GAB-[13C_15N]4 0.0002 0.0001 0.0002 GAB-ALL 0.0210 0.0200 0.0186 0.0184 0.0054 0.0120 0.0167 0.0065 Gln-[13C_15N]0 0.2308 0.3050 0.3664 0.3417 0.1055 0.2652 0.4724 0.2451 Gln-[13C_15N]1 0.0342 0.0418 0.0484 0.0433 0.0076 0.0149 0.0207 0.0421 Gln-[13C_15N]2 0.0218 0.0126 0.0428 0.0316 0.0124 0.0285 0.0343 0.0166 Gln-[13C_15N]3 0.0059 0.0050 0.0033 0.0025 0.0164 0.0094 0.0053 Gln-[13C_15N]4 0.0105 0.0132 0.0133 0.0049 0.0145 0.0059 0.0046 Gln-[13C_15N]5 0.0197 0.0229 0.0244 0.0092 0.0117 0.0501 0.0619 0.0125 Gln-ALL 0.3228 0.4006 0.4820 0.4424 0.1446 0.3897 0.6046 0.3262 Glu-[13C_15N]0 0.0671 0.1204 0.2750 0.2202 0.0362 0.0661 0.2583 0.1969 Glu-[13C_15N]1 0.7996 0.8336 1.9741 2.2490 0.4488 0.8593 5.4423 2.5636 Glu-[13C_15N]2 0.5994 0.9038 1.2717 1.3118 0.5973 1.1286 2.3907 1.2345 Glu-[13C_15N]3 0.5196 0.6438 0.8035 0.7854 0.4079 0.8343 1.1925 0.5319 Glu-[13C_15N]4 0.9523 0.9302 1.0396 1.0906 0.5509 1.0631 1.2035 0.6228 Glu-[13C_15N]5 0.9713 1.1565 0.5819 0.7761 0.4511 0.7450 0.6284 0.3121 Glu-ALL 3.9092 4.5883 5.9458 6.4331 2.4922 4.6964 11.1157 5.4617 Gly-[13C_15N]0 4.0614 4.4400 5.0857 4.9705 2.2732 4.9478 7.4143 3.6822 Gly-[13C_15N]1 0.3270 0.1933 0.1430 0.2582 0.1256 0.3471 0.2017 0.1098 Gly-[13C_15N]2 0.0157 0.0020 0.0343 Gly-ALL 4.4040 4.6333 5.2306 5.2629 2.3988 5.2949 7.6160 3.7920 His-[13C_15N]0 0.1536 0.2182 0.1603 0.1781 0.0988 0.2176 0.1883 0.1162 His-[13C_15N]1 0.0159 0.0006 0.0021 0.0136 0.0020 His-[13C_15N]2 0.0046 0.0017 His-[13C_15N]3 0.0130 0.0053 0.0112 0.0006 0.0094 0.0008 0.0042 His-[13C_15N]4 0.0063 0.0085 0.0062 0.0082 0.0021 0.0054 His-[13C_15N]5 0.0122 0.0058 0.0017 0.0060 0.0186 0.0348 0.0340 His-[13C_15N]6 0.0084 0.0030 0.0037 0.0147 0.0027 0.0080 0.0222 0.0122 His-ALL 0.1971 0.2525 0.1893 0.2033 0.1169 0.2480 0.2651 0.1686 Ile-[13C_15N]0 0.0220 0.0217 0.0222 0.0182 0.0043 0.0148 0.0316 0.0169 Ile-[13C_15N]1 0.1490 0.1662 0.1657 0.1593 0.0766 0.1668 0.1868 0.0926 Ile-[13C_15N]2 0.0695 0.0687 0.0448 0.0422 0.0455 0.0994 0.0550 0.0258 Ile-[13C_15N]3 0.0034 0.0031 0.0031 0.0037 0.0034 0.0065 0.0037 0.0009 Ile-[13C_15N]4 0.0002 0.0006 0.0027 0.0008 Ile-[13C_15N]5 Ile-[13C_15N]6 0.0005 0.0007 0.0003 Ile-ALL 0.2448 0.2603 0.2366 0.2238 0.1298 0.2875 0.2798 0.1370 lactate-[13C_15N]0 1.5892 1.2842 0.9805 1.1571 0.8215 2.0272 1.1507 0.7098 lactate-[13C_15N]1 0.0722 0.0537 0.0393 0.0224 0.0219 0.0344 0.0066 0.0205 lactate-[13C_15N]2 0.0184 0.0049 0.0086 0.0136 0.0346 0.0112 0.0041 lactate-[13C_15N]3 0.0567 0.0376 0.0284 0.0360 0.0253 0.0388 0.0184 0.0134 lactate-ALL 1.7181 1.3940 1.0531 1.2241 0.8823 2.1350 1.1870 0.7478 Leu-[13C_15N]0 0.0288 0.0308 0.0353 0.0263 0.0113 0.0317 0.0251 0.0151 Leu-[13C_15N]1 0.2111 0.2262 0.2416 0.2366 0.1095 0.2213 0.2696 0.1324 Leu-[13C_15N]2 0.0772 0.0866 0.0521 0.0531 0.0643 0.1274 0.0542 0.0274 Leu-[13C_15N]3 0.0026 0.0057 0.0083 0.0001 0.0050 0.0074 0.0060 0.0018 Leu-[13C_15N]4 0.0019 0.0028 0.0006 0.0018 0.0002 0.0012 Leu-[13C_15N]5 0.0009 0.0002 0.0012 0.0012 0.0014 0.0001 Leu-[13C_15N]6 0.0000 0.0003 0.0003 0.0010 0.0001 0.0001 Leu-ALL 0.3225 0.3525 0.3383 0.3182 0.1902 0.3907 0.3567 0.1782 Lys-[13C_15N]0 0.3742 0.4670 0.4541 0.3768 0.2759 0.5051 0.3296 0.1775 Lys-[13C_15N]1 0.0363 0.0003 0.0091 0.0196 0.0355 0.0709 0.0806 0.0171 Lys-[13C_15N]2 0.0083 0.0089 0.0041 0.0032 0.0083 Lys-[13C_15N]3 0.0243 0.0021 0.0031 0.0039 Lys-[13C_15N]4 0.0010 0.0058 0.0100 0.0077 Lys-[13C_15N]5 0.0049 Lys-[13C_15N]6 0.0058 0.0075 0.0137 0.0081 0.0021 0.0018 Lys-ALL 0.4257 0.5079 0.4890 0.4208 0.3218 0.5809 0.4198 0.1986 Malate-[13C_15N]0 0.0467 0.0488 0.0538 0.0569 0.0531 0.1168 0.1651 0.0901 Malate-[13C_15N]1 0.0243 0.0247 0.0265 0.0203 0.0332 0.0668 0.0465 0.0176 Malate-[13C_15N]2 0.0425 0.0424 0.0193 0.0198 0.0334 0.0810 0.0399 0.0210 Malate-[13C_15N]3 0.0444 0.0394 0.0196 0.0175 0.0341 0.0591 0.0147 0.0125 Malate-[13C_15N]4 0.0933 0.1002 0.0288 0.0327 0.0574 0.1281 0.0567 0.0231 Malate-ALL 0.2512 0.2555 0.1478 0.1473 0.2111 0.4519 0.3229 0.1643 Met-[13C_15N]0 0.0269 0.0259 0.0259 0.0223 0.0071 0.0216 0.0467 0.0167 Met-[13C_15N]1 0.0879 0.1231 0.0936 0.0973 0.0509 0.0977 0.0859 0.0517 Met-[13C_15N]2 0.0173 0.0126 0.0091 0.0116 0.0111 0.0149 0.0166 0.0096 Met-[13C_15N]3 0.0071 0.0096 0.0067 0.0077 0.0039 0.0086 0.0145 0.0027 Met-[13C_15N]4 0.0055 0.0036 0.0016 0.0026 0.0005 0.0038 0.0005 Met-[13C_15N]5 0.0249 0.0241 0.0248 0.0209 0.0065 0.0199 0.0452 0.0162 Met-ALL 0.1696 0.1989 0.1615 0.1624 0.0800 0.1666 0.2089 0.0974 Norleu-ALL OHPro-[13C_15N]0 0.2993 0.3706 0.2548 0.2745 0.2646 0.5191 0.6066 0.2475 OHPro-[13C_15N]1 0.0111 0.0243 0.0149 0.0159 0.0050 0.0247 0.0240 0.0215 OHPro-[13C_15N]2 0.0006 0.0035 0.0033 0.0060 0.0032 OHPro-[13C_15N]3 0.0035 0.0018 0.0016 0.0014 0.0015 0.0049 OHPro-[13C_15N]4 0.0008 0.0008 0.0010 0.0001 OHPro-[13C_15N]5 0.0007 0.0004 0.0016 OHPro-ALL 0.3152 0.3975 0.2719 0.2928 0.2733 0.5490 0.6432 0.2722 Orn-[13C_15N]0 0.0698 0.0868 0.0510 0.0545 0.0615 0.0963 0.0690 0.0329 Orn-[13C_15N]1 0.0192 0.0070 0.0107 0.0184 0.0097 0.0116 0.0244 0.0168 Orn-[13C_15N]2 0.0141 0.0081 0.0068 0.0074 0.0030 0.0044 Orn-[13C_15N]3 0.0013 0.0015 0.0030 0.0089 0.0014 0.0001 Orn-[13C_15N]4 0.0069 0.0010 0.0030 0.0051 0.0013 Orn-[13C_15N]5 0.0097 0.0006 0.0006 0.0024 0.0030 0.0048 0.0023 Orn-ALL 0.0970 0.1185 0.0735 0.0818 0.0840 0.1227 0.1046 0.0576 Phe-[13C_15N]0 0.1100 0.1171 0.1028 0.0972 0.0423 0.0994 0.1236 0.0670 Phe-[13C_15N]1 0.0202 0.0393 0.0284 0.0288 0.0306 0.0545 0.0285 0.0142 Phe-[13C_15N]2 0.0043 0.0000 0.0026 0.0020 0.0017 0.0018 0.0017 0.0024 Phe-[13C_15N]3 0.0014 0.0008 0.0035 0.0010 0.0011 0.0014 0.0026 Phe-[13C_15N]4 0.0025 0.0011 0.0002 0.0017 0.0009 0.0005 Phe-[13C_15N]5 0.0053 0.0005 0.0005 0.0004 0.0028 0.0026 0.0004 Phe-[13C_15N]6 0.0010 0.0017 0.0002 0.0006 0.0011 0.0004 Phe-[13C_15N]7 Phe-[13C_15N]8 Phe-[13C_15N]9 Phe-ALL 0.1413 0.1613 0.1391 0.1310 0.0763 0.1621 0.1610 0.0850 PO4-ALL Pro258-[13C_15N]0 0.4589 0.5665 0.5567 0.5776 0.3985 0.7442 0.6562 0.3119 Pro258-[13C_15N]1 0.1322 0.1724 0.1303 0.1330 0.1726 0.3497 0.1270 0.0504 Pro258-[13C_15N]2 0.1992 0.2117 0.1205 0.1291 0.1877 0.3307 0.0715 0.0315 Pro258-[13C_15N]3 0.1501 0.1636 0.0601 0.0750 0.1351 0.2619 0.0263 0.0199 Pro258-[13C_15N]4 0.5479 0.6123 0.2478 0.2519 0.2308 0.4628 0.1038 0.0456 Pro258-[13C_15N]5 0.3723 0.4011 0.1054 0.1001 0.2620 0.4995 0.0253 0.0134 Pro258-ALL 1.8605 2.1276 1.2208 1.2668 1.3867 2.6488 1.0101 0.4727 SeMet-ALL Ser-[13C_15N]0 0.4183 0.5079 0.4695 0.4434 0.2411 0.4563 0.6731 0.3301 Ser-[13C_15N]1 0.0345 0.0456 0.0142 0.0163 0.0219 0.0675 0.0178 0.0157 Ser-[13C_15N]2 0.0026 0.0037 0.0035 0.0037 0.0019 0.0071 0.0079 0.0023 Ser-[13C_15N]3 0.0039 0.0001 0.0024 0.0017 Ser-ALL 0.4554 0.5611 0.4873 0.4658 0.2649 0.5308 0.7005 0.3481 Succinate-[13C_15N]0 0.0696 0.0563 0.0537 0.0535 0.0268 0.0366 0.0695 0.0400 Succinate-[13C_15N]1 0.0039 0.0031 0.0016 0.0007 0.0011 0.0013 0.0026 0.0015 Succinate-[13C_15N]2 0.0022 0.0013 0.0018 0.0020 0.0007 0.0034 0.0018 0.0008 Succinate-[13C_15N]3 0.0016 0.0003 0.0019 0.0027 0.0026 0.0096 0.0048 0.0019 Succinate-[13C_15N]4 0.0124 0.0093 0.0102 0.0111 0.0141 0.0287 0.0199 0.0100 Succinate-ALL 0.0898 0.0703 0.0692 0.0700 0.0454 0.0796 0.0986 0.0542 t-aconitate-[13C_15N]0 0.0017 0.0015 0.0018 0.0021 0.0020 0.0030 0.0048 0.0027 t-aconitate-[13C_15N]1 0.0005 0.0006 0.0008 0.0011 0.0010 0.0029 0.0010 0.0004 t-aconitate-[13C_15N]2 0.0005 0.0014 0.0014 0.0008 0.0015 0.0019 0.0012 0.0002 t-aconitate-[13C_15N]3 0.0011 0.0018 0.0007 0.0009 0.0011 0.0029 0.0008 0.0008 t-aconitate-[13C_15N]4 0.0015 0.0028 0.0009 0.0012 0.0029 0.0020 0.0004 t-aconitate-[13C_15N]5 0.0003 0.0018 0.0006 0.0004 0.0009 0.0010 0.0005 0.0003 t-aconitate-[13C_15N]6 0.0007 0.0002 0.0004 0.0000 0.0006 0.0001 t-aconitate-ALL 0.0062 0.0101 0.0054 0.0065 0.0077 0.0151 0.0104 0.0049 Thr-[13C_15N]0 0.3734 0.4269 0.3586 0.3828 0.2570 0.4701 0.5714 0.2548 Thr-[13C_15N]1 0.0043 0.0027 0.0190 0.0123 0.0081 0.0287 0.0218 0.0115 Thr-[13C_15N]2 0.0039 0.0085 0.0023 0.0017 Thr-[13C_15N]3 0.0016 0.0018 0.0004 0.0024 0.0006 Thr-[13C_15N]4 0.0011 0.0001 Thr-ALL 0.3793 0.4353 0.3860 0.3966 0.2674 0.4989 0.5974 0.2669 Trp-[13C_15N]0 0.0067 0.0070 0.0067 0.0080 0.0043 0.0088 0.0093 0.0083 Trp-[13C_15N]1 0.0021 0.0002 0.0007 0.0028 0.0000 0.0019 0.0025 Trp-[13C_15N]10 Trp-[13C_15N]11 Trp-[13C_15N]2 0.0004 0.0004 0.0009 0.0009 Trp-[13C_15N]3 0.0005 0.0005 0.0011 Trp-[13C_15N]4 0.0009 0.0016 0.0017 0.0006 0.0004 0.0003 0.0002 Trp-[13C_15N]5 0.0008 0.0010 0.0002 0.0003 0.0010 0.0003 Trp-[13C_15N]6 0.0037 0.0016 0.0004 0.0017 0.0003 0.0013 0.0013 0.0006 Trp-[13C_15N]7 Trp-[13C_15N]8 Trp-[13C_15N]9 Trp-ALL 0.0148 0.0118 0.0100 0.0143 0.0046 0.0119 0.0151 0.0120 Tyr-[13C_15N]0 0.1410 0.1786 0.1396 0.1336 0.0757 0.1642 0.1637 0.0960 Tyr-[13C_15N]1 0.0133 0.0193 0.0127 0.0160 0.0120 0.0178 0.0137 0.0098 Tyr-[13C_15N]2 0.0003 0.0007 0.0041 0.0012 0.0031 0.0019 Tyr-[13C_15N]3 0.0008 0.0033 0.0013 0.0002 0.0003 Tyr-[13C_15N]4 0.0009 0.0000 0.0001 Tyr-[13C_15N]5 0.0006 0.0003 0.0003 0.0005 0.0002 0.0008 0.0001 0.0010 Tyr-[13C_15N]6 0.0013 0.0013 0.0001 0.0000 0.0000 0.0005 0.0001 Tyr-[13C_15N]7 Tyr-[13C_15N]8 Tyr-[13C_15N]9 Tyr-ALL 0.1574 0.2034 0.1581 0.1522 0.0879 0.1863 0.1799 0.1072 Val-[13C_15N]0 0.4319 0.5292 0.5259 0.5155 0.2260 0.5117 0.5208 0.2634 Val-[13C_15N]1 0.1924 0.2147 0.1224 0.1366 0.1455 0.3011 0.1519 0.0776 Val-[13C_15N]2 0.0232 0.0206 0.0264 0.0141 0.0089 0.0209 0.0070 0.0060 Val-[13C_15N]3 Val-[13C_15N]4 0.0005 0.0047 Val-[13C_15N]5 0.0077 0.0017 0.0011 0.0010 0.0017 Val-ALL 0.6552 0.7644 0.6748 0.6679 0.3804 0.8347 0.6812 0.3534 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-[13C,15N]0 U_Kentucky_isotope a-glycerol-3P_1-[13C,15N]1 U_Kentucky_isotope a-glycerol-3P_1-[13C,15N]2 U_Kentucky_isotope a-glycerol-3P_1-[13C,15N]3 U_Kentucky_isotope a-glycerol-3P_1-ALL U_Kentucky_isotope a-glycerol-3P_2-[13C,15N]0 U_Kentucky_isotope a-glycerol-3P_2-[13C,15N]1 U_Kentucky_isotope a-glycerol-3P_2-[13C,15N]2 U_Kentucky_isotope a-glycerol-3P_2-[13C,15N]3 U_Kentucky_isotope a-glycerol-3P_2-ALL U_Kentucky_isotope a-ketoglutarate-[13C,15N]0 U_Kentucky_isotope a-ketoglutarate-[13C,15N]1 U_Kentucky_isotope a-ketoglutarate-[13C,15N]2 U_Kentucky_isotope a-ketoglutarate-[13C,15N]3 U_Kentucky_isotope a-ketoglutarate-[13C,15N]4 U_Kentucky_isotope a-ketoglutarate-[13C,15N]5 U_Kentucky_isotope a-ketoglutarate-ALL U_Kentucky_isotope Ala-[13C,15N]0 U_Kentucky_isotope Ala-[13C,15N]1 U_Kentucky_isotope Ala-[13C,15N]2 U_Kentucky_isotope Ala-[13C,15N]3 U_Kentucky_isotope Ala-ALL U_Kentucky_isotope Arg-[13C,15N]0 U_Kentucky_isotope Arg-[13C,15N]1 U_Kentucky_isotope Arg-[13C,15N]2 U_Kentucky_isotope Arg-[13C,15N]3 U_Kentucky_isotope Arg-[13C,15N]4 U_Kentucky_isotope Arg-[13C,15N]5 U_Kentucky_isotope Arg-[13C,15N]6 U_Kentucky_isotope Arg-ALL U_Kentucky_isotope ascorbate-[13C,15N]0 U_Kentucky_isotope ascorbate-[13C,15N]1 U_Kentucky_isotope ascorbate-[13C,15N]2 U_Kentucky_isotope ascorbate-[13C,15N]3 U_Kentucky_isotope ascorbate-[13C,15N]4 U_Kentucky_isotope ascorbate-[13C,15N]5 U_Kentucky_isotope ascorbate-[13C,15N]6 U_Kentucky_isotope ascorbate-ALL U_Kentucky_isotope Asn-[13C,15N]0 U_Kentucky_isotope Asn-[13C,15N]1 U_Kentucky_isotope Asn-[13C,15N]2 U_Kentucky_isotope Asn-[13C,15N]3 U_Kentucky_isotope Asn-[13C,15N]4 U_Kentucky_isotope Asn-ALL U_Kentucky_isotope Asp-[13C,15N]0 U_Kentucky_isotope Asp-[13C,15N]1 U_Kentucky_isotope Asp-[13C,15N]2 U_Kentucky_isotope Asp-[13C,15N]3 U_Kentucky_isotope Asp-[13C,15N]4 U_Kentucky_isotope Asp-ALL U_Kentucky_isotope bOHbutyrate-[13C,15N]0 U_Kentucky_isotope bOHbutyrate-[13C,15N]1 U_Kentucky_isotope bOHbutyrate-[13C,15N]2 U_Kentucky_isotope bOHbutyrate-[13C,15N]3 U_Kentucky_isotope bOHbutyrate-[13C,15N]4 U_Kentucky_isotope bOHbutyrate-ALL U_Kentucky_isotope citrate-[13C,15N]0 U_Kentucky_isotope citrate-[13C,15N]1 U_Kentucky_isotope citrate-[13C,15N]2 U_Kentucky_isotope citrate-[13C,15N]3 U_Kentucky_isotope citrate-[13C,15N]4 U_Kentucky_isotope citrate-[13C,15N]5 U_Kentucky_isotope citrate-[13C,15N]6 U_Kentucky_isotope citrate-ALL U_Kentucky_isotope Cys-[13C,15N]0 U_Kentucky_isotope Cys-[13C,15N]1 U_Kentucky_isotope Cys-[13C,15N]2 U_Kentucky_isotope Cys-[13C,15N]3 U_Kentucky_isotope Cys-ALL U_Kentucky_isotope fumarate-[13C,15N]0 U_Kentucky_isotope fumarate-[13C,15N]1 U_Kentucky_isotope fumarate-[13C,15N]2 U_Kentucky_isotope fumarate-[13C,15N]3 U_Kentucky_isotope fumarate-[13C,15N]4 U_Kentucky_isotope fumarate-ALL U_Kentucky_isotope GAB-[13C,15N]0 U_Kentucky_isotope GAB-[13C,15N]1 U_Kentucky_isotope GAB-[13C,15N]2 U_Kentucky_isotope GAB-[13C,15N]3 U_Kentucky_isotope GAB-[13C,15N]4 U_Kentucky_isotope GAB-ALL U_Kentucky_isotope Gln-[13C,15N]0 U_Kentucky_isotope Gln-[13C,15N]1 U_Kentucky_isotope Gln-[13C,15N]2 U_Kentucky_isotope Gln-[13C,15N]3 U_Kentucky_isotope Gln-[13C,15N]4 U_Kentucky_isotope Gln-[13C,15N]5 U_Kentucky_isotope Gln-ALL U_Kentucky_isotope Glu-[13C,15N]0 U_Kentucky_isotope Glu-[13C,15N]1 U_Kentucky_isotope Glu-[13C,15N]2 U_Kentucky_isotope Glu-[13C,15N]3 U_Kentucky_isotope Glu-[13C,15N]4 U_Kentucky_isotope Glu-[13C,15N]5 U_Kentucky_isotope Glu-ALL U_Kentucky_isotope Gly-[13C,15N]0 U_Kentucky_isotope Gly-[13C,15N]1 U_Kentucky_isotope Gly-[13C,15N]2 U_Kentucky_isotope Gly-ALL U_Kentucky_isotope His-[13C,15N]0 U_Kentucky_isotope His-[13C,15N]1 U_Kentucky_isotope His-[13C,15N]2 U_Kentucky_isotope His-[13C,15N]3 U_Kentucky_isotope His-[13C,15N]4 U_Kentucky_isotope His-[13C,15N]5 U_Kentucky_isotope His-[13C,15N]6 U_Kentucky_isotope His-ALL U_Kentucky_isotope Ile-[13C,15N]0 U_Kentucky_isotope Ile-[13C,15N]1 U_Kentucky_isotope Ile-[13C,15N]2 U_Kentucky_isotope Ile-[13C,15N]3 U_Kentucky_isotope Ile-[13C,15N]4 U_Kentucky_isotope Ile-[13C,15N]5 U_Kentucky_isotope Ile-[13C,15N]6 U_Kentucky_isotope Ile-ALL U_Kentucky_isotope lactate-[13C,15N]0 U_Kentucky_isotope lactate-[13C,15N]1 U_Kentucky_isotope lactate-[13C,15N]2 U_Kentucky_isotope lactate-[13C,15N]3 U_Kentucky_isotope lactate-ALL U_Kentucky_isotope Leu-[13C,15N]0 U_Kentucky_isotope Leu-[13C,15N]1 U_Kentucky_isotope Leu-[13C,15N]2 U_Kentucky_isotope Leu-[13C,15N]3 U_Kentucky_isotope Leu-[13C,15N]4 U_Kentucky_isotope Leu-[13C,15N]5 U_Kentucky_isotope Leu-[13C,15N]6 U_Kentucky_isotope Leu-ALL U_Kentucky_isotope Lys-[13C,15N]0 U_Kentucky_isotope Lys-[13C,15N]1 U_Kentucky_isotope Lys-[13C,15N]2 U_Kentucky_isotope Lys-[13C,15N]3 U_Kentucky_isotope Lys-[13C,15N]4 U_Kentucky_isotope Lys-[13C,15N]5 U_Kentucky_isotope Lys-[13C,15N]6 U_Kentucky_isotope Lys-ALL U_Kentucky_isotope Malate-[13C,15N]0 U_Kentucky_isotope Malate-[13C,15N]1 U_Kentucky_isotope Malate-[13C,15N]2 U_Kentucky_isotope Malate-[13C,15N]3 U_Kentucky_isotope Malate-[13C,15N]4 U_Kentucky_isotope Malate-ALL U_Kentucky_isotope Met-[13C,15N]0 U_Kentucky_isotope Met-[13C,15N]1 U_Kentucky_isotope Met-[13C,15N]2 U_Kentucky_isotope Met-[13C,15N]3 U_Kentucky_isotope Met-[13C,15N]4 U_Kentucky_isotope Met-[13C,15N]5 U_Kentucky_isotope Met-ALL U_Kentucky_isotope Norleu-ALL U_Kentucky_isotope OHPro-[13C,15N]0 U_Kentucky_isotope OHPro-[13C,15N]1 U_Kentucky_isotope OHPro-[13C,15N]2 U_Kentucky_isotope OHPro-[13C,15N]3 U_Kentucky_isotope OHPro-[13C,15N]4 U_Kentucky_isotope OHPro-[13C,15N]5 U_Kentucky_isotope OHPro-ALL U_Kentucky_isotope Orn-[13C,15N]0 U_Kentucky_isotope Orn-[13C,15N]1 U_Kentucky_isotope Orn-[13C,15N]2 U_Kentucky_isotope Orn-[13C,15N]3 U_Kentucky_isotope Orn-[13C,15N]4 U_Kentucky_isotope Orn-[13C,15N]5 U_Kentucky_isotope Orn-ALL U_Kentucky_isotope Phe-[13C,15N]0 U_Kentucky_isotope Phe-[13C,15N]1 U_Kentucky_isotope Phe-[13C,15N]2 U_Kentucky_isotope Phe-[13C,15N]3 U_Kentucky_isotope Phe-[13C,15N]4 U_Kentucky_isotope Phe-[13C,15N]5 U_Kentucky_isotope Phe-[13C,15N]6 U_Kentucky_isotope Phe-[13C,15N]7 U_Kentucky_isotope Phe-[13C,15N]8 U_Kentucky_isotope Phe-[13C,15N]9 U_Kentucky_isotope Phe-ALL U_Kentucky_isotope PO4-ALL U_Kentucky_isotope Pro258-[13C,15N]0 U_Kentucky_isotope Pro258-[13C,15N]1 U_Kentucky_isotope Pro258-[13C,15N]2 U_Kentucky_isotope Pro258-[13C,15N]3 U_Kentucky_isotope Pro258-[13C,15N]4 U_Kentucky_isotope Pro258-[13C,15N]5 U_Kentucky_isotope Pro258-ALL U_Kentucky_isotope SeMet-ALL U_Kentucky_isotope Ser-[13C,15N]0 U_Kentucky_isotope Ser-[13C,15N]1 U_Kentucky_isotope Ser-[13C,15N]2 U_Kentucky_isotope Ser-[13C,15N]3 U_Kentucky_isotope Ser-ALL U_Kentucky_isotope Succinate-[13C,15N]0 U_Kentucky_isotope Succinate-[13C,15N]1 U_Kentucky_isotope Succinate-[13C,15N]2 U_Kentucky_isotope Succinate-[13C,15N]3 U_Kentucky_isotope Succinate-[13C,15N]4 U_Kentucky_isotope Succinate-ALL U_Kentucky_isotope t-aconitate-[13C,15N]0 U_Kentucky_isotope t-aconitate-[13C,15N]1 U_Kentucky_isotope t-aconitate-[13C,15N]2 U_Kentucky_isotope t-aconitate-[13C,15N]3 U_Kentucky_isotope t-aconitate-[13C,15N]4 U_Kentucky_isotope t-aconitate-[13C,15N]5 U_Kentucky_isotope t-aconitate-[13C,15N]6 U_Kentucky_isotope t-aconitate-ALL U_Kentucky_isotope Thr-[13C,15N]0 U_Kentucky_isotope Thr-[13C,15N]1 U_Kentucky_isotope Thr-[13C,15N]2 U_Kentucky_isotope Thr-[13C,15N]3 U_Kentucky_isotope Thr-[13C,15N]4 U_Kentucky_isotope Thr-ALL U_Kentucky_isotope Trp-[13C,15N]0 U_Kentucky_isotope Trp-[13C,15N]1 U_Kentucky_isotope Trp-[13C,15N]10 U_Kentucky_isotope Trp-[13C,15N]11 U_Kentucky_isotope Trp-[13C,15N]2 U_Kentucky_isotope Trp-[13C,15N]3 U_Kentucky_isotope Trp-[13C,15N]4 U_Kentucky_isotope Trp-[13C,15N]5 U_Kentucky_isotope Trp-[13C,15N]6 U_Kentucky_isotope Trp-[13C,15N]7 U_Kentucky_isotope Trp-[13C,15N]8 U_Kentucky_isotope Trp-[13C,15N]9 U_Kentucky_isotope Trp-ALL U_Kentucky_isotope Tyr-[13C,15N]0 U_Kentucky_isotope Tyr-[13C,15N]1 U_Kentucky_isotope Tyr-[13C,15N]2 U_Kentucky_isotope Tyr-[13C,15N]3 U_Kentucky_isotope Tyr-[13C,15N]4 U_Kentucky_isotope Tyr-[13C,15N]5 U_Kentucky_isotope Tyr-[13C,15N]6 U_Kentucky_isotope Tyr-[13C,15N]7 U_Kentucky_isotope Tyr-[13C,15N]8 U_Kentucky_isotope Tyr-[13C,15N]9 U_Kentucky_isotope Tyr-ALL U_Kentucky_isotope Val-[13C,15N]0 U_Kentucky_isotope Val-[13C,15N]1 U_Kentucky_isotope Val-[13C,15N]2 U_Kentucky_isotope Val-[13C,15N]3 U_Kentucky_isotope Val-[13C,15N]4 U_Kentucky_isotope Val-[13C,15N]5 U_Kentucky_isotope Val-ALL U_Kentucky_isotope METABOLITES_END #END