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Analysis: LCMS

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2 or 3-phosphoglycerate_13C_1Phosphoglyceric acidME685061724C00597--
2 or 3-phosphoglycerate_13C_2Phosphoglyceric acidME685062724C00597--
2 or 3-phosphoglycerate_13C_3Phosphoglyceric acidME685063724C00597--
2 or 3-phosphoglycerate_2PG/3PGPhosphoglyceric acidME685060724C00597--
3-Glycerophosphate3-Phosphoglyceric acidME685126754---
3-Glycerophosphate_13C_13-Phosphoglyceric acidME685127754---
3-Glycerophosphate_13C_23-Phosphoglyceric acidME685128754---
3-Glycerophosphate_13C_33-Phosphoglyceric acidME685129754---
3-phosphoglyceraldehydeGlyceraldehyde 3-phosphateME685115439168C00118--
3-phosphoglyceraldehyde_13C_1Glyceraldehyde 3-phosphateME685116439168C00118--
3-phosphoglyceraldehyde_13C_2Glyceraldehyde 3-phosphateME685117439168C00118--
3-phosphoglyceraldehyde_13C_3Glyceraldehyde 3-phosphateME685118439168C00118--
6-Phosphogluconate6-Phosphogluconic acidME68506491493C00345--
6-Phosphogluconate_13C_16-Phosphogluconic acidME68506591493C00345--
6-Phosphogluconate_13C_26-Phosphogluconic acidME68506691493C00345--
6-Phosphogluconate_13C_36-Phosphogluconic acidME68506791493C00345--
6-Phosphogluconate_13C_46-Phosphogluconic acidME68506891493C00345--
6-Phosphogluconate_13C_56-Phosphogluconic acidME68506991493C00345--
6-Phosphogluconate_13C_66-Phosphogluconic acidME68507091493C00345--
Acetyl-CoAAcetyl-CoAME685071444493C00024--
Acetyl-CoA_13C_1Acetyl-CoAME685072444493C00024--
Acetyl-CoA_13C_2Acetyl-CoAME685073444493C00024--
Adenosine diphosphateADPME6850746022C00008--
Adenosine diphosphate_13C_1ADPME6850756022C00008--
Adenosine diphosphate_13C_2ADPME6850766022C00008--
Adenosine diphosphate_13C_3ADPME6850776022C00008--
Adenosine diphosphate_13C_4ADPME6850786022C00008--
Adenosine diphosphate_13C_5ADPME6850796022C00008--
Adenosine monophosphateAMPME6850806083C00020--
Adenosine monophosphate_13C_1AMPME6850816083C00020--
Adenosine monophosphate_13C_2AMPME6850826083C00020--
Adenosine monophosphate_13C_3AMPME6850836083C00020--
Adenosine monophosphate_13C_4AMPME6850846083C00020--
Adenosine monophosphate_13C_5AMPME6850856083C00020--
Adenosine triphosphateATPME6850915957C00002--
Adenosine triphosphate_13C_1ATPME6850925957C00002--
Adenosine triphosphate_13C_2ATPME6850935957C00002--
Adenosine triphosphate_13C_3ATPME6850945957C00002--
Adenosine triphosphate_13C_4ATPME6850955957C00002--
Adenosine triphosphate_13C_5ATPME6850965957C00002--
AspartateAspartic acidME6850865960C00049--
Aspartate_13C_1Aspartic acidME6850875960C00049--
Aspartate_13C_2Aspartic acidME6850885960C00049--
Aspartate_13C_3Aspartic acidME6850895960C00049--
Aspartate_13C_4Aspartic acidME6850905960C00049--
Citrate or IsocitrateCitric acid/Isocitric acidME685097311C00158--
Citrate or Isocitrate_13C_1Citric acid/Isocitric acidME685098311C00158--
Citrate or Isocitrate_13C_2Citric acid/Isocitric acidME685099311C00158--
Citrate or Isocitrate_13C_3Citric acid/Isocitric acidME685100311C00158--
Citrate or Isocitrate_13C_4Citric acid/Isocitric acidME685101311C00158--
Citrate or Isocitrate_13C_5Citric acid/Isocitric acidME685102311C00158--
Citrate or Isocitrate_13C_6Citric acid/Isocitric acidME685103311C00158--
Erythrose 4-phosphateErythrose 4-phosphateME685104122357C00279--
Erythrose 4-phosphate_13C_1Erythrose 4-phosphateME685105122357C00279--
Erythrose 4-phosphate_13C_2Erythrose 4-phosphateME685106122357C00279--
Erythrose 4-phosphate_13C_3Erythrose 4-phosphateME685107122357C00279--
Erythrose 4-phosphate_13C_4Erythrose 4-phosphateME685108122357C00279--
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME685054172313C00354--
Fructose 1,6-bisphosphate_13C_1Fructose 1,6-bisphosphateME685109172313C00354--
Fructose 1,6-bisphosphate_13C_2Fructose 1,6-bisphosphateME685110172313C00354--
Fructose 1,6-bisphosphate_13C_3Fructose 1,6-bisphosphateME685111172313C00354--
Fructose 1,6-bisphosphate_13C_4Fructose 1,6-bisphosphateME685112172313C00354--
Fructose 1,6-bisphosphate_13C_5Fructose 1,6-bisphosphateME685113172313C00354--
Fructose 1,6-bisphosphate_13C_6Fructose 1,6-bisphosphateME685114172313C00354--
Glucose 6-phosphate or fructose-6-phosphateGlucose 6-phosphateME6851195958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_1Glucose 6-phosphateME6851205958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_2Glucose 6-phosphateME6851215958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_3Glucose 6-phosphateME6851225958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_4Glucose 6-phosphateME6851235958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_5Glucose 6-phosphateME6851245958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_6Glucose 6-phosphateME6851255958C00092--
GlutamateGlutamic acidME685130611---
Glutamate_13C_1Glutamic acidME685131611---
Glutamate_13C_2Glutamic acidME685132611---
Glutamate_13C_3Glutamic acidME685133611---
Glutamate_13C_4Glutamic acidME685134611---
Glutamate_13C_5Glutamic acidME685135611---
LactateLactic acidME685136107689C00186--
Lactate_13C_1Lactic acidME685137107689C00186--
Lactate_13C_2Lactic acidME685138107689C00186--
Lactate_13C_3Lactic acidME685139107689C00186--
MalateMalic acidME685055222656C00149--
Malate_13C_1Malic acidME685140222656C00149--
Malate_13C_2Malic acidME685141222656C00149--
Malate_13C_3Malic acidME685142222656C00149--
Malate_13C_4Malic acidME685143222656C00149--
Malonyl-CoAMalonyl-CoAME685144644066C00083--
Malonyl-CoA_13C_1Malonyl-CoAME685145644066C00083--
Malonyl-CoA_13C_2Malonyl-CoAME685146644066C00083--
Malonyl-CoA_13C_3Malonyl-CoAME685147644066C00083--
Nicotinamide Adenine Dinucleotide oxidizedNAD+ME68505610897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_1NAD+ME68514810897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_2NAD+ME68514910897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_3NAD+ME68515010897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_4NAD+ME68515110897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_5NAD+ME68515210897651C00003--
Nicotinamide Adenine Dinucleotide reducedNADHME685057439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_1NADHME685153439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_2NADHME685154439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_3NADHME685155439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_4NADHME685156439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_5NADHME685157439153C00004--
PhosphoenolpyruvatePhosphoenolpyruvic acidME6850581005C00074--
Phosphoenolpyruvate_13C_1Phosphoenolpyruvic acidME6851581005C00074--
Phosphoenolpyruvate_13C_2Phosphoenolpyruvic acidME6851591005C00074--
Phosphoenolpyruvate_13C_3Phosphoenolpyruvic acidME6851601005C00074--
Ribose-5-phosphate or xylulose 5-phosphateRibose 5-phosphateME68516177982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_1Ribose 5-phosphateME68516277982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_2Ribose 5-phosphateME68516377982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_3Ribose 5-phosphateME68516477982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_4Ribose 5-phosphateME68516577982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_5Ribose 5-phosphateME68516677982C00117--
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME685167165007C05382--
Sedoheptulose 7-phosphate_13C_1Sedoheptulose 7-phosphateME685168165007C05382--
Sedoheptulose 7-phosphate_13C_2Sedoheptulose 7-phosphateME685169165007C05382--
Sedoheptulose 7-phosphate_13C_3Sedoheptulose 7-phosphateME685170165007C05382--
Sedoheptulose 7-phosphate_13C_4Sedoheptulose 7-phosphateME685171165007C05382--
Sedoheptulose 7-phosphate_13C_5Sedoheptulose 7-phosphateME685172165007C05382--
Sedoheptulose 7-phosphate_13C_6Sedoheptulose 7-phosphateME685173165007C05382--
Sedoheptulose 7-phosphate_13C_7Sedoheptulose 7-phosphateME685174165007C05382--
SucroseSucroseME6850595988C00089--
Sucrose_13C_1SucroseME6851755988C00089--
Sucrose_13C_2SucroseME6851765988C00089--
Sucrose_13C_3SucroseME6851775988C00089--
Sucrose_13C_4SucroseME6851785988C00089--


Analysis: GCMS

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Alanine_123AlanineME6851875950C00041--
Alanine_123_13C_1AlanineME6851885950C00041--
Alanine_123_13C_2AlanineME6851895950C00041--
Alanine_123_13C_3AlanineME6851905950C00041--
alpha-Ketoglutarate_123452-Oxoglutaric acidME68520151C00026--
alpha-Ketoglutarate_12345_13C_12-Oxoglutaric acidME68520251C00026--
alpha-Ketoglutarate_12345_13C_22-Oxoglutaric acidME68520351C00026--
alpha-Ketoglutarate_12345_13C_32-Oxoglutaric acidME68520451C00026--
alpha-Ketoglutarate_12345_13C_42-Oxoglutaric acidME68520551C00026--
alpha-Ketoglutarate_12345_13C_52-Oxoglutaric acidME68520651C00026--
Aspartate_1234Aspartic acidME6852075960C00049--
Aspartate_1234_13C_1Aspartic acidME6852085960C00049--
Aspartate_1234_13C_2Aspartic acidME6852095960C00049--
Aspartate_1234_13C_3Aspartic acidME6852105960C00049--
Aspartate_1234_13C_4Aspartic acidME6852115960C00049--
Fumarate_1234Fumaric acidME685191444972C00122--
Fumarate_1234_13C_1Fumaric acidME685192444972C00122--
Fumarate_1234_13C_2Fumaric acidME685193444972C00122--
Fumarate_1234_13C_3Fumaric acidME685194444972C00122--
Fumarate_1234_13C_4Fumaric acidME685195444972C00122--
Glutamate_12345Glutamic acidME68521233032---
Glutamate_12345_13C_1Glutamic acidME68521333032---
Glutamate_12345_13C_2Glutamic acidME68521433032---
Glutamate_12345_13C_3Glutamic acidME68521533032---
Glutamate_12345_13C_4Glutamic acidME68521633032---
Glutamate_12345_13C_5Glutamic acidME68521733032---
Glutamine_12345GlutamineME6852185961C00064--
Glutamine_12345_13C_1GlutamineME6852195961C00064--
Glutamine_12345_13C_2GlutamineME6852205961C00064--
Glutamine_12345_13C_3GlutamineME6852225961C00064--
Glutamine_12345_13C_4GlutamineME6852215961C00064--
Glutamine_12345_13C_5GlutamineME6852235961C00064--
Lactate_123Lactic acidME685183107689C00186--
Lactate_123_13C_1Lactic acidME685184107689C00186--
Lactate_123_13C_2Lactic acidME685185107689C00186--
Lactate_123_13C_3Lactic acidME685186107689C00186--
Oxaloacetate_1234Oxaloacetic acidME685196970C00036--
Oxaloacetate_1234_13C_1Oxaloacetic acidME685197970C00036--
Oxaloacetate_1234_13C_2Oxaloacetic acidME685198970C00036--
Oxaloacetate_1234_13C_3Oxaloacetic acidME685199970C00036--
Oxaloacetate_1234_13C_4Oxaloacetic acidME685200970C00036--
Pyruvate_123Pyruvic acidME6851791060C00022--
Pyruvate_123_13C_1Pyruvic acidME6851801060C00022--
Pyruvate_123_13C_2Pyruvic acidME6851811060C00022--
Pyruvate_123_13C_3Pyruvic acidME6851821060C00022--


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