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Analysis: ESI 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 acidME698097724C00597--
2 or 3-phosphoglycerate_13C_2Phosphoglyceric acidME698098724C00597--
2 or 3-phosphoglycerate_13C_3Phosphoglyceric acidME698099724C00597--
2 or 3-phosphoglycerate_2PG/3PGPhosphoglyceric acidME698096724C00597--
3-Glycerophosphate3-Phosphoglyceric acidME698144754---
3-phosphoglyceraldehydeGlyceraldehyde 3-phosphateME698142439168C00118--
6-Phosphogluconate6-Phosphogluconic acidME69810091493C00345--
6-Phosphogluconate_13C_16-Phosphogluconic acidME69810191493C00345--
6-Phosphogluconate_13C_26-Phosphogluconic acidME69810291493C00345--
6-Phosphogluconate_13C_36-Phosphogluconic acidME69810391493C00345--
6-Phosphogluconate_13C_46-Phosphogluconic acidME69810491493C00345--
6-Phosphogluconate_13C_56-Phosphogluconic acidME69810591493C00345--
6-Phosphogluconate_13C_66-Phosphogluconic acidME69810691493C00345--
Acetyl-CoAAcetyl-CoAME698107444493C00024--
Acetyl-CoA_13C_1Acetyl-CoAME698108444493C00024--
Acetyl-CoA_13C_2Acetyl-CoAME698109444493C00024--
Adenosine diphosphate_13C_1ADPME6981106022C00008--
Adenosine diphosphate_13C_2ADPME6981116022C00008--
Adenosine diphosphate_13C_3ADPME6981126022C00008--
Adenosine diphosphate_13C_4ADPME6981136022C00008--
Adenosine diphosphate_13C_5ADPME6981146022C00008--
Adenosine monophosphate_13C_1AMPME6981156083C00020--
Adenosine monophosphate_13C_2AMPME6981166083C00020--
Adenosine monophosphate_13C_3AMPME6981176083C00020--
Adenosine monophosphate_13C_4AMPME6981186083C00020--
Adenosine monophosphate_13C_5AMPME6981196083C00020--
Adenosine triphosphate_13C_1ATPME6981255957C00002--
Adenosine triphosphate_13C_2ATPME6981265957C00002--
Adenosine triphosphate_13C_3ATPME6981275957C00002--
Adenosine triphosphate_13C_4ATPME6981285957C00002--
Adenosine triphosphate_13C_5ATPME6981295957C00002--
ADPADPME6981396022C00008--
AMPAMPME6981386083C00020--
AspartateAspartic acidME6981205960C00049--
Aspartate_13C_1Aspartic acidME6981215960C00049--
Aspartate_13C_2Aspartic acidME6981225960C00049--
Aspartate_13C_3Aspartic acidME6981235960C00049--
Aspartate_13C_4Aspartic acidME6981245960C00049--
ATPATPME6981405957C00002--
Citrate or IsocitrateCitric acid/Isocitric acidME698130311C00158--
Citrate or Isocitrate_13C_1Citric acid/Isocitric acidME698131311C00158--
Citrate or Isocitrate_13C_2Citric acid/Isocitric acidME698132311C00158--
Citrate or Isocitrate_13C_3Citric acid/Isocitric acidME698133311C00158--
Citrate or Isocitrate_13C_4Citric acid/Isocitric acidME698134311C00158--
Citrate or Isocitrate_13C_5Citric acid/Isocitric acidME698135311C00158--
Citrate or Isocitrate_13C_6Citric acid/Isocitric acidME698136311C00158--
Erythrose 4-phosphateErythrose 4-phosphateME698137122357C00279--
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME698141172313C00354--
Glucose 6-phosphate or fructose-6-phosphateGlucose 6-phosphateME6981435958C00092--
GlutamateGlutamic acidME698145611---
LactateLactic acidME698146107689C00186--
MalateMalic acidME698147222656C00149--
Malonyl-CoAMalonyl-CoAME698148644066C00083--
Nicotinamide Adenine Dinucleotide oxidizedNAD+ME69814910897651C00003--
Nicotinamide Adenine Dinucleotide reducedNADHME698150439153C00004--
PhosphoenolpyruvatePhosphoenolpyruvic acidME6981511005C00074--
Ribose-5-phosphate or xylulose 5-phosphateRibose 5-phosphateME69815277982C00117--
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME698153165007C05382--
SucroseSucroseME6981545988C00089--


Analysis: ESI positive ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
Alanine_123AlanineME6981635950C00041--
Alanine_123_13C_1AlanineME6981645950C00041--
alpha-Ketoglutarate_123452-Oxoglutaric acidME69816851C00026--
alpha-Ketoglutarate_12345_13C_12-Oxoglutaric acidME69816951C00026--
alpha-Ketoglutarate_12345_13C_22-Oxoglutaric acidME69817051C00026--
alpha-Ketoglutarate_12345_13C_32-Oxoglutaric acidME69817151C00026--
Fumarate_1234Fumaric acidME698165444972C00122--
Fumarate_1234_13C_1Fumaric acidME698166444972C00122--
Fumarate_1234_13C_2Fumaric acidME698167444972C00122--
Lactate_123Lactic acidME698159107689C00186--
Lactate_123_13C_1Lactic acidME698160107689C00186--
Lactate_123_13C_2Lactic acidME698161107689C00186--
Lactate_123_13C_3Lactic acidME698162107689C00186--
Pyruvate_123Pyruvic acidME6981551060C00022--
Pyruvate_123_13C_1Pyruvic acidME6981561060C00022--
Pyruvate_123_13C_2Pyruvic acidME6981571060C00022--
Pyruvate_123_13C_3Pyruvic acidME6981581060C00022--


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