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Analysis: LCMS Negative ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME685224172313C00354--
MalateMalic acidME685225222656C00149--
Nicotinamide Adenine Dinucleotide oxidizedNAD+ME68522610897651C00003--
Nicotinamide Adenine Dinucleotide reducedNADHME685227439153C00004--
PhosphoenolpyruvatePhosphoenolpyruvic acidME6852281005C00074--
SucroseSucroseME6852295988C00089--
2 or 3-phosphoglycerate_2PG/3PGPhosphoglyceric acidME685230724C00597--
2 or 3-phosphoglycerate_13C_1Phosphoglyceric acidME685231724C00597--
2 or 3-phosphoglycerate_13C_2Phosphoglyceric acidME685232724C00597--
2 or 3-phosphoglycerate_13C_3Phosphoglyceric acidME685233724C00597--
6-Phosphogluconate6-Phosphogluconic acidME68523491493C00345--
6-Phosphogluconate_13C_16-Phosphogluconic acidME68523591493C00345--
6-Phosphogluconate_13C_26-Phosphogluconic acidME68523691493C00345--
6-Phosphogluconate_13C_36-Phosphogluconic acidME68523791493C00345--
6-Phosphogluconate_13C_46-Phosphogluconic acidME68523891493C00345--
6-Phosphogluconate_13C_56-Phosphogluconic acidME68523991493C00345--
6-Phosphogluconate_13C_66-Phosphogluconic acidME68524091493C00345--
Acetyl-CoAAcetyl-CoAME685241444493C00024--
Acetyl-CoA_13C_1Acetyl-CoAME685242444493C00024--
Acetyl-CoA_13C_2Acetyl-CoAME685243444493C00024--
Adenosine diphosphateADPME6852446022C00008--
Adenosine diphosphate_13C_1ADPME6852456022C00008--
Adenosine diphosphate_13C_2ADPME6852466022C00008--
Adenosine diphosphate_13C_3ADPME6852476022C00008--
Adenosine diphosphate_13C_4ADPME6852486022C00008--
Adenosine diphosphate_13C_5ADPME6852496022C00008--
Adenosine monophosphateAMPME6852506083C00020--
Adenosine monophosphate_13C_1AMPME6852516083C00020--
Adenosine monophosphate_13C_2AMPME6852526083C00020--
Adenosine monophosphate_13C_3AMPME6852536083C00020--
Adenosine monophosphate_13C_4AMPME6852546083C00020--
Adenosine monophosphate_13C_5AMPME6852556083C00020--
AspartateAspartic acidME6852565960C00049--
Aspartate_13C_1Aspartic acidME6852575960C00049--
Aspartate_13C_2Aspartic acidME6852585960C00049--
Aspartate_13C_3Aspartic acidME6852595960C00049--
Aspartate_13C_4Aspartic acidME6852605960C00049--
Adenosine triphosphateATPME6852615957C00002--
Adenosine triphosphate_13C_1ATPME6852625957C00002--
Adenosine triphosphate_13C_2ATPME6852635957C00002--
Adenosine triphosphate_13C_3ATPME6852645957C00002--
Adenosine triphosphate_13C_4ATPME6852655957C00002--
Adenosine triphosphate_13C_5ATPME6852665957C00002--
Citrate or IsocitrateCitric acid/Isocitric acidME685267311C00158--
Citrate or Isocitrate_13C_1Citric acid/Isocitric acidME685268311C00158--
Citrate or Isocitrate_13C_2Citric acid/Isocitric acidME685269311C00158--
Citrate or Isocitrate_13C_3Citric acid/Isocitric acidME685270311C00158--
Citrate or Isocitrate_13C_4Citric acid/Isocitric acidME685271311C00158--
Citrate or Isocitrate_13C_5Citric acid/Isocitric acidME685272311C00158--
Citrate or Isocitrate_13C_6Citric acid/Isocitric acidME685273311C00158--
Erythrose 4-phosphateErythrose 4-phosphateME685274122357C00279--
Erythrose 4-phosphate_13C_1Erythrose 4-phosphateME685275122357C00279--
Erythrose 4-phosphate_13C_2Erythrose 4-phosphateME685276122357C00279--
Erythrose 4-phosphate_13C_3Erythrose 4-phosphateME685277122357C00279--
Erythrose 4-phosphate_13C_4Erythrose 4-phosphateME685278122357C00279--
Fructose 1,6-bisphosphate_13C_1Fructose 1,6-bisphosphateME685279172313C00354--
Fructose 1,6-bisphosphate_13C_2Fructose 1,6-bisphosphateME685280172313C00354--
Fructose 1,6-bisphosphate_13C_3Fructose 1,6-bisphosphateME685281172313C00354--
Fructose 1,6-bisphosphate_13C_4Fructose 1,6-bisphosphateME685282172313C00354--
Fructose 1,6-bisphosphate_13C_5Fructose 1,6-bisphosphateME685283172313C00354--
Fructose 1,6-bisphosphate_13C_6Fructose 1,6-bisphosphateME685284172313C00354--
3-phosphoglyceraldehydeGlyceraldehyde 3-phosphateME685285439168C00118--
3-phosphoglyceraldehyde_13C_1Glyceraldehyde 3-phosphateME685286439168C00118--
3-phosphoglyceraldehyde_13C_2Glyceraldehyde 3-phosphateME685287439168C00118--
3-phosphoglyceraldehyde_13C_3Glyceraldehyde 3-phosphateME685288439168C00118--
Glucose 6-phosphate or fructose-6-phosphateGlucose 6-phosphateME6852895958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_1Glucose 6-phosphateME6852905958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_2Glucose 6-phosphateME6852915958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_3Glucose 6-phosphateME6852925958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_4Glucose 6-phosphateME6852935958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_5Glucose 6-phosphateME6852945958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_6Glucose 6-phosphateME6852955958C00092--
3-Glycerophosphate3-Phosphoglyceric acidME685296754---
3-Glycerophosphate_13C_13-Phosphoglyceric acidME685297754---
3-Glycerophosphate_13C_23-Phosphoglyceric acidME685298754---
3-Glycerophosphate_13C_33-Phosphoglyceric acidME685299754---
GlutamateGlutamic acidME685300611---
Glutamate_13C_1Glutamic acidME685301611---
Glutamate_13C_2Glutamic acidME685302611---
Glutamate_13C_3Glutamic acidME685303611---
Glutamate_13C_4Glutamic acidME685304611---
Glutamate_13C_5Glutamic acidME685305611---
LactateLactic acidME685306107689C00186--
Lactate_13C_1Lactic acidME685307107689C00186--
Lactate_13C_2Lactic acidME685308107689C00186--
Lactate_13C_3Lactic acidME685309107689C00186--
Malate_13C_1Malic acidME685310222656C00149--
Malate_13C_2Malic acidME685311222656C00149--
Malate_13C_3Malic acidME685312222656C00149--
Malate_13C_4Malic acidME685313222656C00149--
Malonyl-CoAMalonyl-CoAME685314644066C00083--
Malonyl-CoA_13C_1Malonyl-CoAME685315644066C00083--
Malonyl-CoA_13C_2Malonyl-CoAME685316644066C00083--
Malonyl-CoA_13C_3Malonyl-CoAME685317644066C00083--
Nicotinamide Adenine Dinucleotide oxidized_13C_1NAD+ME68531810897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_2NAD+ME68531910897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_3NAD+ME68532010897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_4NAD+ME68532110897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_5NAD+ME68532210897651C00003--
Nicotinamide Adenine Dinucleotide reduced_13C_1NADHME685323439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_2NADHME685324439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_3NADHME685325439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_4NADHME685326439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_5NADHME685327439153C00004--
Phosphoenolpyruvate_13C_1Phosphoenolpyruvic acidME6853281005C00074--
Phosphoenolpyruvate_13C_2Phosphoenolpyruvic acidME6853291005C00074--
Phosphoenolpyruvate_13C_3Phosphoenolpyruvic acidME6853301005C00074--
Ribose-5-phosphate or xylulose 5-phosphateRibose 5-phosphateME68533177982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_1Ribose 5-phosphateME68533277982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_2Ribose 5-phosphateME68533377982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_3Ribose 5-phosphateME68533477982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_4Ribose 5-phosphateME68533577982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_5Ribose 5-phosphateME68533677982C00117--
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME685337165007C05382--
Sedoheptulose 7-phosphate_13C_1Sedoheptulose 7-phosphateME685338165007C05382--
Sedoheptulose 7-phosphate_13C_2Sedoheptulose 7-phosphateME685339165007C05382--
Sedoheptulose 7-phosphate_13C_3Sedoheptulose 7-phosphateME685340165007C05382--
Sedoheptulose 7-phosphate_13C_4Sedoheptulose 7-phosphateME685341165007C05382--
Sedoheptulose 7-phosphate_13C_5Sedoheptulose 7-phosphateME685342165007C05382--
Sedoheptulose 7-phosphate_13C_6Sedoheptulose 7-phosphateME685343165007C05382--
Sedoheptulose 7-phosphate_13C_7Sedoheptulose 7-phosphateME685344165007C05382--
Sucrose_13C_1SucroseME6853455988C00089--
Sucrose_13C_2SucroseME6853465988C00089--
Sucrose_13C_3SucroseME6853475988C00089--
Sucrose_13C_4SucroseME6853485988C00089--


Analysis: GCMS Positive ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Pyruvate_123Pyruvic acidME6853491060C00022--
Pyruvate_123_13C_1Pyruvic acidME6853501060C00022--
Pyruvate_123_13C_2Pyruvic acidME6853511060C00022--
Pyruvate_123_13C_3Pyruvic acidME6853521060C00022--
Lactate_123Lactic acidME685353107689C00186--
Lactate_123_13C_1Lactic acidME685354107689C00186--
Lactate_123_13C_2Lactic acidME685355107689C00186--
Lactate_123_13C_3Lactic acidME685356107689C00186--
Alanine_123AlanineME6853575950C00041--
Alanine_123_13C_1AlanineME6853585950C00041--
Alanine_123_13C_2AlanineME6853595950C00041--
Alanine_123_13C_3AlanineME6853605950C00041--
Fumarate_1234Fumaric acidME685361444972C00122--
Fumarate_1234_13C_1Fumaric acidME685362444972C00122--
Fumarate_1234_13C_2Fumaric acidME685363444972C00122--
Fumarate_1234_13C_3Fumaric acidME685364444972C00122--
Fumarate_1234_13C_4Fumaric acidME685365444972C00122--
Oxaloacetate_1234Oxaloacetic acidME685366970C00036--
Oxaloacetate_1234_13C_1Oxaloacetic acidME685367970C00036--
Oxaloacetate_1234_13C_2Oxaloacetic acidME685368970C00036--
Oxaloacetate_1234_13C_3Oxaloacetic acidME685369970C00036--
Oxaloacetate_1234_13C_4Oxaloacetic acidME685370970C00036--
alpha-Ketoglutarate_123452-Oxoglutaric acidME68537151C00026--
alpha-Ketoglutarate_12345_13C_12-Oxoglutaric acidME68537251C00026--
alpha-Ketoglutarate_12345_13C_22-Oxoglutaric acidME68537351C00026--
alpha-Ketoglutarate_12345_13C_32-Oxoglutaric acidME68537451C00026--
alpha-Ketoglutarate_12345_13C_42-Oxoglutaric acidME68537551C00026--
alpha-Ketoglutarate_12345_13C_52-Oxoglutaric acidME68537651C00026--
Aspartate_1234Aspartic acidME6853775960C00049--
Aspartate_1234_13C_1Aspartic acidME6853785960C00049--
Aspartate_1234_13C_2Aspartic acidME6853795960C00049--
Aspartate_1234_13C_3Aspartic acidME6853805960C00049--
Aspartate_1234_13C_4Aspartic acidME6853815960C00049--
Glutamate_12345Glutamic acidME68538233032---
Glutamate_12345_13C_1Glutamic acidME68538333032---
Glutamate_12345_13C_2Glutamic acidME68538433032---
Glutamate_12345_13C_3Glutamic acidME68538533032---
Glutamate_12345_13C_4Glutamic acidME68538633032---
Glutamate_12345_13C_5Glutamic acidME68538733032---
Glutamine_12345GlutamineME6853885961C00064--
Glutamine_12345_13C_1GlutamineME6853895961C00064--
Glutamine_12345_13C_2GlutamineME6853905961C00064--
Glutamine_12345_13C_4GlutamineME6853915961C00064--
Glutamine_12345_13C_3GlutamineME6853925961C00064--
Glutamine_12345_13C_5GlutamineME6853935961C00064--


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