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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
Adenosine triphosphateATPME6964855957C00002--
Adenosine triphosphate_13C_1ATPME6964865957C00002--
Adenosine triphosphate_13C_2ATPME6964875957C00002--
Adenosine triphosphate_13C_3ATPME6964885957C00002--
Adenosine triphosphate_13C_4ATPME6964895957C00002--
Adenosine triphosphate_13C_5ATPME6964905957C00002--
Nicotinamide Adenine Dinucleotide oxidizedNAD+ME69645010897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_1NAD+ME69654210897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_2NAD+ME69654310897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_3NAD+ME69654410897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_4NAD+ME69654510897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_5NAD+ME69654610897651C00003--
Nicotinamide Adenine Dinucleotide reducedNADHME696451439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_1NADHME696547439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_2NADHME696548439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_3NADHME696549439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_4NADHME696550439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_5NADHME696551439153C00004--
Adenosine diphosphateADPME6964686022C00008--
Adenosine diphosphate_13C_1ADPME6964696022C00008--
Adenosine diphosphate_13C_2ADPME6964706022C00008--
Adenosine diphosphate_13C_3ADPME6964716022C00008--
Adenosine diphosphate_13C_4ADPME6964726022C00008--
Adenosine diphosphate_13C_5ADPME6964736022C00008--
Adenosine monophosphateAMPME6964746083C00020--
Adenosine monophosphate_13C_1AMPME6964756083C00020--
Adenosine monophosphate_13C_2AMPME6964766083C00020--
Adenosine monophosphate_13C_3AMPME6964776083C00020--
Adenosine monophosphate_13C_4AMPME6964786083C00020--
Adenosine monophosphate_13C_5AMPME6964796083C00020--
Acetyl-CoAAcetyl-CoAME696465444493C00024--
Acetyl-CoA_13C_1Acetyl-CoAME696466444493C00024--
Acetyl-CoA_13C_2Acetyl-CoAME696467444493C00024--
AspartateAspartic acidME6964805960C00049--
Aspartate_13C_1Aspartic acidME6964815960C00049--
Aspartate_13C_2Aspartic acidME6964825960C00049--
Aspartate_13C_3Aspartic acidME6964835960C00049--
Aspartate_13C_4Aspartic acidME6964845960C00049--
PhosphoenolpyruvatePhosphoenolpyruvic acidME6964521005C00074--
Phosphoenolpyruvate_13C_1Phosphoenolpyruvic acidME6965521005C00074--
Phosphoenolpyruvate_13C_2Phosphoenolpyruvic acidME6965531005C00074--
Phosphoenolpyruvate_13C_3Phosphoenolpyruvic acidME6965541005C00074--
Malonyl-CoAMalonyl-CoAME696538644066C00083--
Malonyl-CoA_13C_1Malonyl-CoAME696539644066C00083--
Malonyl-CoA_13C_2Malonyl-CoAME696540644066C00083--
Malonyl-CoA_13C_3Malonyl-CoAME696541644066C00083--
SucroseSucroseME6964535988C00089--
Sucrose_13C_1SucroseME6965695988C00089--
Glucose 6-phosphate or fructose-6-phosphateGlucose 6-phosphateME6965135958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_1Glucose 6-phosphateME6965145958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_2Glucose 6-phosphateME6965155958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_3Glucose 6-phosphateME6965165958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_4Glucose 6-phosphateME6965175958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_5Glucose 6-phosphateME6965185958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_6Glucose 6-phosphateME6965195958C00092--
Ribose-5-phosphate or xylulose 5-phosphateRibose 5-phosphateME69655577982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_1Ribose 5-phosphateME69655677982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_2Ribose 5-phosphateME69655777982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_3Ribose 5-phosphateME69655877982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_4Ribose 5-phosphateME69655977982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_5Ribose 5-phosphateME69656077982C00117--
3-phosphoglyceraldehydeGlyceraldehyde 3-phosphateME696509439168C00118--
3-phosphoglyceraldehyde_13C_1Glyceraldehyde 3-phosphateME696510439168C00118--
3-phosphoglyceraldehyde_13C_2Glyceraldehyde 3-phosphateME696511439168C00118--
3-phosphoglyceraldehyde_13C_3Glyceraldehyde 3-phosphateME696512439168C00118--
MalateMalic acidME696449222656C00149--
Malate_13C_1Malic acidME696534222656C00149--
Malate_13C_2Malic acidME696535222656C00149--
Malate_13C_3Malic acidME696536222656C00149--
Malate_13C_4Malic acidME696537222656C00149--
Citrate or IsocitrateCitric acid/Isocitric acidME696491311C00158--
Citrate or Isocitrate_13C_1Citric acid/Isocitric acidME696492311C00158--
Citrate or Isocitrate_13C_2Citric acid/Isocitric acidME696493311C00158--
Citrate or Isocitrate_13C_3Citric acid/Isocitric acidME696494311C00158--
Citrate or Isocitrate_13C_4Citric acid/Isocitric acidME696495311C00158--
Citrate or Isocitrate_13C_5Citric acid/Isocitric acidME696496311C00158--
Citrate or Isocitrate_13C_6Citric acid/Isocitric acidME696497311C00158--
LactateLactic acidME696530107689C00186--
Lactate_13C_1Lactic acidME696531107689C00186--
Lactate_13C_2Lactic acidME696532107689C00186--
Lactate_13C_3Lactic acidME696533107689C00186--
Erythrose 4-phosphateErythrose 4-phosphateME696498122357C00279--
Erythrose 4-phosphate_13C_1Erythrose 4-phosphateME696499122357C00279--
Erythrose 4-phosphate_13C_2Erythrose 4-phosphateME696500122357C00279--
Erythrose 4-phosphate_13C_3Erythrose 4-phosphateME696501122357C00279--
Erythrose 4-phosphate_13C_4Erythrose 4-phosphateME696502122357C00279--
6-Phosphogluconate6-Phosphogluconic acidME69645891493C00345--
6-Phosphogluconate_13C_16-Phosphogluconic acidME69645991493C00345--
6-Phosphogluconate_13C_26-Phosphogluconic acidME69646091493C00345--
6-Phosphogluconate_13C_36-Phosphogluconic acidME69646191493C00345--
6-Phosphogluconate_13C_46-Phosphogluconic acidME69646291493C00345--
6-Phosphogluconate_13C_56-Phosphogluconic acidME69646391493C00345--
6-Phosphogluconate_13C_66-Phosphogluconic acidME69646491493C00345--
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME696448172313C00354--
Fructose 1,6-bisphosphate_13C_1Fructose 1,6-bisphosphateME696503172313C00354--
Fructose 1,6-bisphosphate_13C_2Fructose 1,6-bisphosphateME696504172313C00354--
Fructose 1,6-bisphosphate_13C_3Fructose 1,6-bisphosphateME696505172313C00354--
Fructose 1,6-bisphosphate_13C_4Fructose 1,6-bisphosphateME696506172313C00354--
Fructose 1,6-bisphosphate_13C_5Fructose 1,6-bisphosphateME696507172313C00354--
Fructose 1,6-bisphosphate_13C_6Fructose 1,6-bisphosphateME696508172313C00354--
2 or 3-phosphoglycerate_13C_1Phosphoglyceric acidME696455724C00597--
2 or 3-phosphoglycerate_13C_2Phosphoglyceric acidME696456724C00597--
2 or 3-phosphoglycerate_13C_3Phosphoglyceric acidME696457724C00597--
2 or 3-phosphoglycerate_2PG/3PGPhosphoglyceric acidME696454724C00597--
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME696561165007C05382--
Sedoheptulose 7-phosphate_13C_1Sedoheptulose 7-phosphateME696562165007C05382--
Sedoheptulose 7-phosphate_13C_2Sedoheptulose 7-phosphateME696563165007C05382--
Sedoheptulose 7-phosphate_13C_3Sedoheptulose 7-phosphateME696564165007C05382--
Sedoheptulose 7-phosphate_13C_4Sedoheptulose 7-phosphateME696565165007C05382--
Sedoheptulose 7-phosphate_13C_5Sedoheptulose 7-phosphateME696566165007C05382--
Sedoheptulose 7-phosphate_13C_6Sedoheptulose 7-phosphateME696567165007C05382--
Sedoheptulose 7-phosphate_13C_7Sedoheptulose 7-phosphateME696568165007C05382--
3-Glycerophosphate3-Phosphoglyceric acidME696520754---
3-Glycerophosphate_13C_13-Phosphoglyceric acidME696521754---
3-Glycerophosphate_13C_23-Phosphoglyceric acidME696522754---
3-Glycerophosphate_13C_33-Phosphoglyceric acidME696523754---
GlutamateGlutamic acidME696524611---
Glutamate_13C_1Glutamic acidME696525611---
Glutamate_13C_2Glutamic acidME696526611---
Glutamate_13C_3Glutamic acidME696527611---
Glutamate_13C_4Glutamic acidME696528611---
Glutamate_13C_5Glutamic acidME696529611---


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