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Analysis: ESI/QTOF 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 acidME685401724C00597--
2 or 3-phosphoglycerate_13C_2Phosphoglyceric acidME685402724C00597--
2 or 3-phosphoglycerate_13C_3Phosphoglyceric acidME685403724C00597--
2 or 3-phosphoglycerate_2PG/3PGPhosphoglyceric acidME685400724C00597--
3-Glycerophosphate3-Phosphoglyceric acidME685466754---
3-Glycerophosphate_13C_13-Phosphoglyceric acidME685467754---
3-Glycerophosphate_13C_23-Phosphoglyceric acidME685468754---
3-Glycerophosphate_13C_33-Phosphoglyceric acidME685469754---
3-phosphoglyceraldehydeGlyceraldehyde 3-phosphateME685455439168C00118--
3-phosphoglyceraldehyde_13C_1Glyceraldehyde 3-phosphateME685456439168C00118--
3-phosphoglyceraldehyde_13C_2Glyceraldehyde 3-phosphateME685457439168C00118--
3-phosphoglyceraldehyde_13C_3Glyceraldehyde 3-phosphateME685458439168C00118--
6-Phosphogluconate6-Phosphogluconic acidME68540491493C00345--
6-Phosphogluconate_13C_16-Phosphogluconic acidME68540591493C00345--
6-Phosphogluconate_13C_26-Phosphogluconic acidME68540691493C00345--
6-Phosphogluconate_13C_36-Phosphogluconic acidME68540791493C00345--
6-Phosphogluconate_13C_46-Phosphogluconic acidME68540891493C00345--
6-Phosphogluconate_13C_56-Phosphogluconic acidME68540991493C00345--
6-Phosphogluconate_13C_66-Phosphogluconic acidME68541091493C00345--
Acetyl-CoAAcetyl-CoAME685411444493C00024--
Acetyl-CoA_13C_1Acetyl-CoAME685412444493C00024--
Acetyl-CoA_13C_2Acetyl-CoAME685413444493C00024--
Adenosine diphosphateADPME6854146022C00008--
Adenosine diphosphate_13C_1ADPME6854156022C00008--
Adenosine diphosphate_13C_2ADPME6854166022C00008--
Adenosine diphosphate_13C_3ADPME6854176022C00008--
Adenosine diphosphate_13C_4ADPME6854186022C00008--
Adenosine diphosphate_13C_5ADPME6854196022C00008--
Adenosine monophosphateAMPME6854206083C00020--
Adenosine monophosphate_13C_1AMPME6854216083C00020--
Adenosine monophosphate_13C_2AMPME6854226083C00020--
Adenosine monophosphate_13C_3AMPME6854236083C00020--
Adenosine monophosphate_13C_4AMPME6854246083C00020--
Adenosine monophosphate_13C_5AMPME6854256083C00020--
Adenosine triphosphateATPME6854315957C00002--
Adenosine triphosphate_13C_1ATPME6854325957C00002--
Adenosine triphosphate_13C_2ATPME6854335957C00002--
Adenosine triphosphate_13C_3ATPME6854345957C00002--
Adenosine triphosphate_13C_4ATPME6854355957C00002--
Adenosine triphosphate_13C_5ATPME6854365957C00002--
AspartateAspartic acidME6854265960C00049--
Aspartate_13C_1Aspartic acidME6854275960C00049--
Aspartate_13C_2Aspartic acidME6854285960C00049--
Aspartate_13C_3Aspartic acidME6854295960C00049--
Aspartate_13C_4Aspartic acidME6854305960C00049--
Citrate or IsocitrateCitric acid/Isocitric acidME685437311C00158--
Citrate or Isocitrate_13C_1Citric acid/Isocitric acidME685438311C00158--
Citrate or Isocitrate_13C_2Citric acid/Isocitric acidME685439311C00158--
Citrate or Isocitrate_13C_3Citric acid/Isocitric acidME685440311C00158--
Citrate or Isocitrate_13C_4Citric acid/Isocitric acidME685441311C00158--
Citrate or Isocitrate_13C_5Citric acid/Isocitric acidME685442311C00158--
Citrate or Isocitrate_13C_6Citric acid/Isocitric acidME685443311C00158--
Erythrose 4-phosphateErythrose 4-phosphateME685444122357C00279--
Erythrose 4-phosphate_13C_1Erythrose 4-phosphateME685445122357C00279--
Erythrose 4-phosphate_13C_2Erythrose 4-phosphateME685446122357C00279--
Erythrose 4-phosphate_13C_3Erythrose 4-phosphateME685447122357C00279--
Erythrose 4-phosphate_13C_4Erythrose 4-phosphateME685448122357C00279--
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME685394172313C00354--
Fructose 1,6-bisphosphate_13C_1Fructose 1,6-bisphosphateME685449172313C00354--
Fructose 1,6-bisphosphate_13C_2Fructose 1,6-bisphosphateME685450172313C00354--
Fructose 1,6-bisphosphate_13C_3Fructose 1,6-bisphosphateME685451172313C00354--
Fructose 1,6-bisphosphate_13C_4Fructose 1,6-bisphosphateME685452172313C00354--
Fructose 1,6-bisphosphate_13C_5Fructose 1,6-bisphosphateME685453172313C00354--
Fructose 1,6-bisphosphate_13C_6Fructose 1,6-bisphosphateME685454172313C00354--
Glucose 6-phosphate or fructose-6-phosphateGlucose 6-phosphateME6854595958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_1Glucose 6-phosphateME6854605958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_2Glucose 6-phosphateME6854615958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_3Glucose 6-phosphateME6854625958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_4Glucose 6-phosphateME6854635958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_5Glucose 6-phosphateME6854645958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_6Glucose 6-phosphateME6854655958C00092--
GlutamateGlutamic acidME685470611---
Glutamate_13C_1Glutamic acidME685471611---
Glutamate_13C_2Glutamic acidME685472611---
Glutamate_13C_3Glutamic acidME685473611---
Glutamate_13C_4Glutamic acidME685474611---
Glutamate_13C_5Glutamic acidME685475611---
LactateLactic acidME685476107689C00186--
Lactate_13C_1Lactic acidME685477107689C00186--
Lactate_13C_2Lactic acidME685478107689C00186--
Lactate_13C_3Lactic acidME685479107689C00186--
MalateMalic acidME685395222656C00149--
Malate_13C_1Malic acidME685480222656C00149--
Malate_13C_2Malic acidME685481222656C00149--
Malate_13C_3Malic acidME685482222656C00149--
Malate_13C_4Malic acidME685483222656C00149--
Malonyl-CoAMalonyl-CoAME685484644066C00083--
Malonyl-CoA_13C_1Malonyl-CoAME685485644066C00083--
Malonyl-CoA_13C_2Malonyl-CoAME685486644066C00083--
Malonyl-CoA_13C_3Malonyl-CoAME685487644066C00083--
Nicotinamide Adenine Dinucleotide oxidizedNAD+ME68539610897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_1NAD+ME68548810897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_2NAD+ME68548910897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_3NAD+ME68549010897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_4NAD+ME68549110897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_5NAD+ME68549210897651C00003--
Nicotinamide Adenine Dinucleotide reducedNADHME685397439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_1NADHME685493439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_2NADHME685494439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_3NADHME685495439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_4NADHME685496439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_5NADHME685497439153C00004--
PhosphoenolpyruvatePhosphoenolpyruvic acidME6853981005C00074--
Phosphoenolpyruvate_13C_1Phosphoenolpyruvic acidME6854981005C00074--
Phosphoenolpyruvate_13C_2Phosphoenolpyruvic acidME6854991005C00074--
Phosphoenolpyruvate_13C_3Phosphoenolpyruvic acidME6855001005C00074--
Ribose-5-phosphate or xylulose 5-phosphateRibose 5-phosphateME68550177982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_1Ribose 5-phosphateME68550277982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_2Ribose 5-phosphateME68550377982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_3Ribose 5-phosphateME68550477982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_4Ribose 5-phosphateME68550577982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_5Ribose 5-phosphateME68550677982C00117--
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME685507165007C05382--
Sedoheptulose 7-phosphate_13C_1Sedoheptulose 7-phosphateME685508165007C05382--
Sedoheptulose 7-phosphate_13C_2Sedoheptulose 7-phosphateME685509165007C05382--
Sedoheptulose 7-phosphate_13C_3Sedoheptulose 7-phosphateME685510165007C05382--
Sedoheptulose 7-phosphate_13C_4Sedoheptulose 7-phosphateME685511165007C05382--
Sedoheptulose 7-phosphate_13C_5Sedoheptulose 7-phosphateME685512165007C05382--
Sedoheptulose 7-phosphate_13C_6Sedoheptulose 7-phosphateME685513165007C05382--
Sedoheptulose 7-phosphate_13C_7Sedoheptulose 7-phosphateME685514165007C05382--
SucroseSucroseME6853995988C00089--
Sucrose_13C_1SucroseME6855155988C00089--
Sucrose_13C_2SucroseME6855165988C00089--
Sucrose_13C_3SucroseME6855175988C00089--
Sucrose_13C_4SucroseME6855185988C00089--


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