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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
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME702998172313C00354--
MalateMalic acidME702999222656C00149--
Nicotinamide Adenine Dinucleotide oxidizedNAD+ME70300010897651C00003--
Nicotinamide Adenine Dinucleotide reducedNADHME703001439153C00004--
PhosphoenolpyruvatePhosphoenolpyruvic acidME7030021005C00074--
SucroseSucroseME7030035988C00089--
2 or 3-phosphoglycerate_2PG/3PGPhosphoglyceric acidME703004724C00597--
2 or 3-phosphoglycerate_13C_1Phosphoglyceric acidME703005724C00597--
2 or 3-phosphoglycerate_13C_2Phosphoglyceric acidME703006724C00597--
2 or 3-phosphoglycerate_13C_3Phosphoglyceric acidME703007724C00597--
6-Phosphogluconate6-Phosphogluconic acidME70300891493C00345--
6-Phosphogluconate_13C_16-Phosphogluconic acidME70300991493C00345--
6-Phosphogluconate_13C_26-Phosphogluconic acidME70301091493C00345--
6-Phosphogluconate_13C_36-Phosphogluconic acidME70301191493C00345--
6-Phosphogluconate_13C_46-Phosphogluconic acidME70301291493C00345--
6-Phosphogluconate_13C_56-Phosphogluconic acidME70301391493C00345--
6-Phosphogluconate_13C_66-Phosphogluconic acidME70301491493C00345--
Acetyl-CoAAcetyl-CoAME703015444493C00024--
Acetyl-CoA_13C_1Acetyl-CoAME703016444493C00024--
Acetyl-CoA_13C_2Acetyl-CoAME703017444493C00024--
Adenosine diphosphate_13C_1ADPME7030186022C00008--
Adenosine diphosphate_13C_2ADPME7030196022C00008--
Adenosine diphosphate_13C_3ADPME7030206022C00008--
Adenosine diphosphate_13C_4ADPME7030216022C00008--
Adenosine diphosphate_13C_5ADPME7030226022C00008--
Adenosine monophosphate_13C_1AMPME7030236083C00020--
Adenosine monophosphate_13C_2AMPME7030246083C00020--
Adenosine monophosphate_13C_3AMPME7030256083C00020--
Adenosine monophosphate_13C_4AMPME7030266083C00020--
Adenosine monophosphate_13C_5AMPME7030276083C00020--
AspartateAspartic acidME7030285960C00049--
Aspartate_13C_1Aspartic acidME7030295960C00049--
Aspartate_13C_2Aspartic acidME7030305960C00049--
Aspartate_13C_3Aspartic acidME7030315960C00049--
Aspartate_13C_4Aspartic acidME7030325960C00049--
Adenosine triphosphate_13C_1ATPME7030335957C00002--
Adenosine triphosphate_13C_2ATPME7030345957C00002--
Adenosine triphosphate_13C_3ATPME7030355957C00002--
Adenosine triphosphate_13C_4ATPME7030365957C00002--
Adenosine triphosphate_13C_5ATPME7030375957C00002--
Citrate or IsocitrateCitric acid/Isocitric acidME703038311C00158--
Citrate or Isocitrate_13C_1Citric acid/Isocitric acidME703039311C00158--
Citrate or Isocitrate_13C_2Citric acid/Isocitric acidME703040311C00158--
Citrate or Isocitrate_13C_3Citric acid/Isocitric acidME703041311C00158--
Citrate or Isocitrate_13C_4Citric acid/Isocitric acidME703042311C00158--
Citrate or Isocitrate_13C_5Citric acid/Isocitric acidME703043311C00158--
Citrate or Isocitrate_13C_6Citric acid/Isocitric acidME703044311C00158--
Erythrose 4-phosphateErythrose 4-phosphateME703045122357C00279--
Erythrose 4-phosphate_13C_1Erythrose 4-phosphateME703046122357C00279--
Erythrose 4-phosphate_13C_2Erythrose 4-phosphateME703047122357C00279--
Erythrose 4-phosphate_13C_3Erythrose 4-phosphateME703048122357C00279--
Erythrose 4-phosphate_13C_4Erythrose 4-phosphateME703049122357C00279--
Fructose 1,6-bisphosphate_13C_1Fructose 1,6-bisphosphateME703050172313C00354--
Fructose 1,6-bisphosphate_13C_2Fructose 1,6-bisphosphateME703051172313C00354--
Fructose 1,6-bisphosphate_13C_3Fructose 1,6-bisphosphateME703052172313C00354--
Fructose 1,6-bisphosphate_13C_4Fructose 1,6-bisphosphateME703053172313C00354--
Fructose 1,6-bisphosphate_13C_5Fructose 1,6-bisphosphateME703054172313C00354--
Fructose 1,6-bisphosphate_13C_6Fructose 1,6-bisphosphateME703055172313C00354--
3-phosphoglyceraldehydeGlyceraldehyde 3-phosphateME703056439168C00118--
3-phosphoglyceraldehyde_13C_1Glyceraldehyde 3-phosphateME703057439168C00118--
3-phosphoglyceraldehyde_13C_2Glyceraldehyde 3-phosphateME703058439168C00118--
3-phosphoglyceraldehyde_13C_3Glyceraldehyde 3-phosphateME703059439168C00118--
Glucose 6-phosphate or fructose-6-phosphateGlucose 6-phosphateME7030605958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_1Glucose 6-phosphateME7030615958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_2Glucose 6-phosphateME7030625958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_3Glucose 6-phosphateME7030635958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_4Glucose 6-phosphateME7030645958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_5Glucose 6-phosphateME7030655958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_6Glucose 6-phosphateME7030665958C00092--
3-Glycerophosphate3-Phosphoglyceric acidME703067754---
3-Glycerophosphate_13C_13-Phosphoglyceric acidME703068754---
3-Glycerophosphate_13C_23-Phosphoglyceric acidME703069754---
3-Glycerophosphate_13C_33-Phosphoglyceric acidME703070754---
GlutamateGlutamic acidME703071611---
Glutamate_13C_1Glutamic acidME703072611---
Glutamate_13C_2Glutamic acidME703073611---
Glutamate_13C_3Glutamic acidME703074611---
Glutamate_13C_4Glutamic acidME703075611---
Glutamate_13C_5Glutamic acidME703076611---
LactateLactic acidME703077107689C00186--
Lactate_13C_1Lactic acidME703078107689C00186--
Lactate_13C_2Lactic acidME703079107689C00186--
Lactate_13C_3Lactic acidME703080107689C00186--
Malate_13C_1Malic acidME703081222656C00149--
Malate_13C_2Malic acidME703082222656C00149--
Malate_13C_3Malic acidME703083222656C00149--
Malate_13C_4Malic acidME703084222656C00149--
Malonyl-CoAMalonyl-CoAME703085644066C00083--
Malonyl-CoA_13C_1Malonyl-CoAME703086644066C00083--
Malonyl-CoA_13C_2Malonyl-CoAME703087644066C00083--
Malonyl-CoA_13C_3Malonyl-CoAME703088644066C00083--
Nicotinamide Adenine Dinucleotide oxidized_13C_1NAD+ME70308910897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_2NAD+ME70309010897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_3NAD+ME70309110897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_4NAD+ME70309210897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_5NAD+ME70309310897651C00003--
Nicotinamide Adenine Dinucleotide reduced_13C_1NADHME703094439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_2NADHME703095439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_3NADHME703096439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_4NADHME703097439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_5NADHME703098439153C00004--
Phosphoenolpyruvate_13C_1Phosphoenolpyruvic acidME7030991005C00074--
Phosphoenolpyruvate_13C_2Phosphoenolpyruvic acidME7031001005C00074--
Phosphoenolpyruvate_13C_3Phosphoenolpyruvic acidME7031011005C00074--
Ribose-5-phosphate or xylulose 5-phosphateRibose 5-phosphateME70310277982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_1Ribose 5-phosphateME70310377982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_2Ribose 5-phosphateME70310477982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_3Ribose 5-phosphateME70310577982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_4Ribose 5-phosphateME70310677982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_5Ribose 5-phosphateME70310777982C00117--
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME703108165007C05382--
Sedoheptulose 7-phosphate_13C_1Sedoheptulose 7-phosphateME703109165007C05382--
Sedoheptulose 7-phosphate_13C_2Sedoheptulose 7-phosphateME703110165007C05382--
Sedoheptulose 7-phosphate_13C_3Sedoheptulose 7-phosphateME703111165007C05382--
Sedoheptulose 7-phosphate_13C_4Sedoheptulose 7-phosphateME703112165007C05382--
Sedoheptulose 7-phosphate_13C_5Sedoheptulose 7-phosphateME703113165007C05382--
Sedoheptulose 7-phosphate_13C_6Sedoheptulose 7-phosphateME703114165007C05382--
Sedoheptulose 7-phosphate_13C_7Sedoheptulose 7-phosphateME703115165007C05382--
Sucrose_13C_1SucroseME7031165988C00089--
Sucrose_13C_2SucroseME7031175988C00089--
Sucrose_13C_3SucroseME7031185988C00089--
Sucrose_13C_4SucroseME7031195988C00089--
AMPAMPME7031206083C00020--
ADPADPME7031216022C00008--
ATPATPME7031225957C00002--


Analysis: ESI 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 acidME7031231060C00022--
Pyruvate_123_13C_1Pyruvic acidME7031241060C00022--
Pyruvate_123_13C_2Pyruvic acidME7031251060C00022--
Pyruvate_123_13C_3Pyruvic acidME7031261060C00022--
Lactate_123Lactic acidME703127107689C00186--
Lactate_123_13C_1Lactic acidME703128107689C00186--
Lactate_123_13C_2Lactic acidME703129107689C00186--
Lactate_123_13C_3Lactic acidME703130107689C00186--
Alanine_123AlanineME7031315950C00041--
Alanine_123_13C_1AlanineME7031325950C00041--
Alanine_123_13C_2AlanineME7031335950C00041--
Alanine_123_13C_3AlanineME7031345950C00041--
Fumarate_1234Fumaric acidME703135444972C00122--
Fumarate_1234_13C_1Fumaric acidME703136444972C00122--
Fumarate_1234_13C_2Fumaric acidME703137444972C00122--
Fumarate_1234_13C_3Fumaric acidME703138444972C00122--
Fumarate_1234_13C_4Fumaric acidME703139444972C00122--
Oxaloacetate_1234Oxaloacetic acidME703140970C00036--
Oxaloacetate_1234_13C_1Oxaloacetic acidME703141970C00036--
Oxaloacetate_1234_13C_2Oxaloacetic acidME703142970C00036--
Oxaloacetate_1234_13C_3Oxaloacetic acidME703143970C00036--
Oxaloacetate_1234_13C_4Oxaloacetic acidME703144970C00036--
alpha-Ketoglutarate_123452-Oxoglutaric acidME70314551C00026--
alpha-Ketoglutarate_12345_13C_12-Oxoglutaric acidME70314651C00026--
alpha-Ketoglutarate_12345_13C_22-Oxoglutaric acidME70314751C00026--
alpha-Ketoglutarate_12345_13C_32-Oxoglutaric acidME70314851C00026--
alpha-Ketoglutarate_12345_13C_42-Oxoglutaric acidME70314951C00026--
alpha-Ketoglutarate_12345_13C_52-Oxoglutaric acidME70315051C00026--
Aspartate_1234Aspartic acidME7031515960C00049--
Aspartate_1234_13C_1Aspartic acidME7031525960C00049--
Aspartate_1234_13C_2Aspartic acidME7031535960C00049--
Aspartate_1234_13C_3Aspartic acidME7031545960C00049--
Aspartate_1234_13C_4Aspartic acidME7031555960C00049--
Glutamate_12345Glutamic acidME70315633032---
Glutamate_12345_13C_1Glutamic acidME70315733032---
Glutamate_12345_13C_2Glutamic acidME70315833032---
Glutamate_12345_13C_3Glutamic acidME70315933032---
Glutamate_12345_13C_4Glutamic acidME70316033032---
Glutamate_12345_13C_5Glutamic acidME70316133032---
Glutamine_12345GlutamineME7031625961C00064--
Glutamine_12345_13C_1GlutamineME7031635961C00064--
Glutamine_12345_13C_2GlutamineME7031645961C00064--
Glutamine_12345_13C_4GlutamineME7031655961C00064--
Glutamine_12345_13C_3GlutamineME7031665961C00064--
Glutamine_12345_13C_5GlutamineME7031675961C00064--


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