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Analysis: Negative ion mode

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 acidME685526724C00597--
2 or 3-phosphoglycerate_13C_2Phosphoglyceric acidME685527724C00597--
2 or 3-phosphoglycerate_13C_3Phosphoglyceric acidME685528724C00597--
2 or 3-phosphoglycerate_2PG/3PGPhosphoglyceric acidME685525724C00597--
3-Glycerophosphate3-Phosphoglyceric acidME685591754---
3-Glycerophosphate_13C_13-Phosphoglyceric acidME685592754---
3-Glycerophosphate_13C_23-Phosphoglyceric acidME685593754---
3-Glycerophosphate_13C_33-Phosphoglyceric acidME685594754---
3-phosphoglyceraldehydeGlyceraldehyde 3-phosphateME685580439168C00118--
3-phosphoglyceraldehyde_13C_1Glyceraldehyde 3-phosphateME685581439168C00118--
3-phosphoglyceraldehyde_13C_2Glyceraldehyde 3-phosphateME685582439168C00118--
3-phosphoglyceraldehyde_13C_3Glyceraldehyde 3-phosphateME685583439168C00118--
6-Phosphogluconate6-Phosphogluconic acidME68552991493C00345--
6-Phosphogluconate_13C_16-Phosphogluconic acidME68553091493C00345--
6-Phosphogluconate_13C_26-Phosphogluconic acidME68553191493C00345--
6-Phosphogluconate_13C_36-Phosphogluconic acidME68553291493C00345--
6-Phosphogluconate_13C_46-Phosphogluconic acidME68553391493C00345--
6-Phosphogluconate_13C_56-Phosphogluconic acidME68553491493C00345--
6-Phosphogluconate_13C_66-Phosphogluconic acidME68553591493C00345--
Acetyl-CoAAcetyl-CoAME685536444493C00024--
Acetyl-CoA_13C_1Acetyl-CoAME685537444493C00024--
Acetyl-CoA_13C_2Acetyl-CoAME685538444493C00024--
Adenosine diphosphateADPME6855396022C00008--
Adenosine diphosphate_13C_1ADPME6855406022C00008--
Adenosine diphosphate_13C_2ADPME6855416022C00008--
Adenosine diphosphate_13C_3ADPME6855426022C00008--
Adenosine diphosphate_13C_4ADPME6855436022C00008--
Adenosine diphosphate_13C_5ADPME6855446022C00008--
Adenosine monophosphateAMPME6855456083C00020--
Adenosine monophosphate_13C_1AMPME6855466083C00020--
Adenosine monophosphate_13C_2AMPME6855476083C00020--
Adenosine monophosphate_13C_3AMPME6855486083C00020--
Adenosine monophosphate_13C_4AMPME6855496083C00020--
Adenosine monophosphate_13C_5AMPME6855506083C00020--
Adenosine triphosphateATPME6855565957C00002--
Adenosine triphosphate_13C_1ATPME6855575957C00002--
Adenosine triphosphate_13C_2ATPME6855585957C00002--
Adenosine triphosphate_13C_3ATPME6855595957C00002--
Adenosine triphosphate_13C_4ATPME6855605957C00002--
Adenosine triphosphate_13C_5ATPME6855615957C00002--
AspartateAspartic acidME6855515960C00049--
Aspartate_13C_1Aspartic acidME6855525960C00049--
Aspartate_13C_2Aspartic acidME6855535960C00049--
Aspartate_13C_3Aspartic acidME6855545960C00049--
Aspartate_13C_4Aspartic acidME6855555960C00049--
Citrate or IsocitrateCitric acid/Isocitric acidME685562311C00158--
Citrate or Isocitrate_13C_1Citric acid/Isocitric acidME685563311C00158--
Citrate or Isocitrate_13C_2Citric acid/Isocitric acidME685564311C00158--
Citrate or Isocitrate_13C_3Citric acid/Isocitric acidME685565311C00158--
Citrate or Isocitrate_13C_4Citric acid/Isocitric acidME685566311C00158--
Citrate or Isocitrate_13C_5Citric acid/Isocitric acidME685567311C00158--
Citrate or Isocitrate_13C_6Citric acid/Isocitric acidME685568311C00158--
Erythrose 4-phosphateErythrose 4-phosphateME685569122357C00279--
Erythrose 4-phosphate_13C_1Erythrose 4-phosphateME685570122357C00279--
Erythrose 4-phosphate_13C_2Erythrose 4-phosphateME685571122357C00279--
Erythrose 4-phosphate_13C_3Erythrose 4-phosphateME685572122357C00279--
Erythrose 4-phosphate_13C_4Erythrose 4-phosphateME685573122357C00279--
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME685519172313C00354--
Fructose 1,6-bisphosphate_13C_1Fructose 1,6-bisphosphateME685574172313C00354--
Fructose 1,6-bisphosphate_13C_2Fructose 1,6-bisphosphateME685575172313C00354--
Fructose 1,6-bisphosphate_13C_3Fructose 1,6-bisphosphateME685576172313C00354--
Fructose 1,6-bisphosphate_13C_4Fructose 1,6-bisphosphateME685577172313C00354--
Fructose 1,6-bisphosphate_13C_5Fructose 1,6-bisphosphateME685578172313C00354--
Fructose 1,6-bisphosphate_13C_6Fructose 1,6-bisphosphateME685579172313C00354--
Glucose 6-phosphate or fructose-6-phosphateGlucose 6-phosphateME6855845958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_1Glucose 6-phosphateME6855855958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_2Glucose 6-phosphateME6855865958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_3Glucose 6-phosphateME6855875958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_4Glucose 6-phosphateME6855885958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_5Glucose 6-phosphateME6855895958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_6Glucose 6-phosphateME6855905958C00092--
GlutamateGlutamic acidME685595611---
Glutamate_13C_1Glutamic acidME685596611---
Glutamate_13C_2Glutamic acidME685597611---
Glutamate_13C_3Glutamic acidME685598611---
Glutamate_13C_4Glutamic acidME685599611---
Glutamate_13C_5Glutamic acidME685600611---
LactateLactic acidME685601107689C00186--
Lactate_13C_1Lactic acidME685602107689C00186--
Lactate_13C_2Lactic acidME685603107689C00186--
Lactate_13C_3Lactic acidME685604107689C00186--
MalateMalic acidME685520222656C00149--
Malate_13C_1Malic acidME685605222656C00149--
Malate_13C_2Malic acidME685606222656C00149--
Malate_13C_3Malic acidME685607222656C00149--
Malate_13C_4Malic acidME685608222656C00149--
Malonyl-CoAMalonyl-CoAME685609644066C00083--
Malonyl-CoA_13C_1Malonyl-CoAME685610644066C00083--
Malonyl-CoA_13C_2Malonyl-CoAME685611644066C00083--
Malonyl-CoA_13C_3Malonyl-CoAME685612644066C00083--
Nicotinamide Adenine Dinucleotide oxidizedNAD+ME68552110897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_1NAD+ME68561310897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_2NAD+ME68561410897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_3NAD+ME68561510897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_4NAD+ME68561610897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_5NAD+ME68561710897651C00003--
Nicotinamide Adenine Dinucleotide reducedNADHME685522439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_1NADHME685618439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_2NADHME685619439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_3NADHME685620439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_4NADHME685621439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_5NADHME685622439153C00004--
PhosphoenolpyruvatePhosphoenolpyruvic acidME6855231005C00074--
Phosphoenolpyruvate_13C_1Phosphoenolpyruvic acidME6856231005C00074--
Phosphoenolpyruvate_13C_2Phosphoenolpyruvic acidME6856241005C00074--
Phosphoenolpyruvate_13C_3Phosphoenolpyruvic acidME6856251005C00074--
Ribose-5-phosphate or xylulose 5-phosphateRibose 5-phosphateME68562677982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_1Ribose 5-phosphateME68562777982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_2Ribose 5-phosphateME68562877982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_3Ribose 5-phosphateME68562977982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_4Ribose 5-phosphateME68563077982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_5Ribose 5-phosphateME68563177982C00117--
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME685632165007C05382--
Sedoheptulose 7-phosphate_13C_1Sedoheptulose 7-phosphateME685633165007C05382--
Sedoheptulose 7-phosphate_13C_2Sedoheptulose 7-phosphateME685634165007C05382--
Sedoheptulose 7-phosphate_13C_3Sedoheptulose 7-phosphateME685635165007C05382--
Sedoheptulose 7-phosphate_13C_4Sedoheptulose 7-phosphateME685636165007C05382--
Sedoheptulose 7-phosphate_13C_5Sedoheptulose 7-phosphateME685637165007C05382--
Sedoheptulose 7-phosphate_13C_6Sedoheptulose 7-phosphateME685638165007C05382--
Sedoheptulose 7-phosphate_13C_7Sedoheptulose 7-phosphateME685639165007C05382--
SucroseSucroseME6855245988C00089--
Sucrose_13C_1SucroseME6856405988C00089--
Sucrose_13C_2SucroseME6856415988C00089--
Sucrose_13C_3SucroseME6856425988C00089--
Sucrose_13C_4SucroseME6856435988C00089--


Analysis: Positive ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Alanine_123AlanineME6856525950C00041--
Alanine_123_13C_1AlanineME6856535950C00041--
Alanine_123_13C_2AlanineME6856545950C00041--
Alanine_123_13C_3AlanineME6856555950C00041--
alpha-Ketoglutarate_123452-Oxoglutaric acidME68566651C00026--
alpha-Ketoglutarate_12345_13C_12-Oxoglutaric acidME68566751C00026--
alpha-Ketoglutarate_12345_13C_22-Oxoglutaric acidME68566851C00026--
alpha-Ketoglutarate_12345_13C_32-Oxoglutaric acidME68566951C00026--
alpha-Ketoglutarate_12345_13C_42-Oxoglutaric acidME68567051C00026--
alpha-Ketoglutarate_12345_13C_52-Oxoglutaric acidME68567151C00026--
Aspartate_1234Aspartic acidME6856725960C00049--
Aspartate_1234_13C_1Aspartic acidME6856735960C00049--
Aspartate_1234_13C_2Aspartic acidME6856745960C00049--
Aspartate_1234_13C_3Aspartic acidME6856755960C00049--
Aspartate_1234_13C_4Aspartic acidME6856765960C00049--
Fumarate_1234Fumaric acidME685656444972C00122--
Fumarate_1234_13C_1Fumaric acidME685657444972C00122--
Fumarate_1234_13C_2Fumaric acidME685658444972C00122--
Fumarate_1234_13C_3Fumaric acidME685659444972C00122--
Fumarate_1234_13C_4Fumaric acidME685660444972C00122--
Glutamate_12345Glutamic acidME68567733032---
Glutamate_12345_13C_1Glutamic acidME68567833032---
Glutamate_12345_13C_2Glutamic acidME68567933032---
Glutamate_12345_13C_3Glutamic acidME68568033032---
Glutamate_12345_13C_4Glutamic acidME68568133032---
Glutamate_12345_13C_5Glutamic acidME68568233032---
Glutamine_12345GlutamineME6856835961C00064--
Glutamine_12345_13C_1GlutamineME6856845961C00064--
Glutamine_12345_13C_2GlutamineME6856855961C00064--
Glutamine_12345_13C_3GlutamineME6856875961C00064--
Glutamine_12345_13C_4GlutamineME6856865961C00064--
Glutamine_12345_13C_5GlutamineME6856885961C00064--
Lactate_123Lactic acidME685648107689C00186--
Lactate_123_13C_1Lactic acidME685649107689C00186--
Lactate_123_13C_2Lactic acidME685650107689C00186--
Lactate_123_13C_3Lactic acidME685651107689C00186--
Oxaloacetate_1234Oxaloacetic acidME685661970C00036--
Oxaloacetate_1234_13C_1Oxaloacetic acidME685662970C00036--
Oxaloacetate_1234_13C_2Oxaloacetic acidME685663970C00036--
Oxaloacetate_1234_13C_3Oxaloacetic acidME685664970C00036--
Oxaloacetate_1234_13C_4Oxaloacetic acidME685665970C00036--
Pyruvate_123Pyruvic acidME6856441060C00022--
Pyruvate_123_13C_1Pyruvic acidME6856451060C00022--
Pyruvate_123_13C_2Pyruvic acidME6856461060C00022--
Pyruvate_123_13C_3Pyruvic acidME6856471060C00022--


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