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Return to study ST002011 main page
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
alanine/sarcosine
Alanine/Sarcosine
ME464131
-
-
1.00E+00
-
threonine/homoserine
Threonine/Homoserine
ME464142
-
-
1.00E+00
-
UMP
UMP
ME464219
-
-
1.03E+01
-
GMP
GMP
ME464229
-
-
1.05E+01
-
IMP
IMP
ME464227
-
-
1.05E+01
-
Pro-Glu-Glu (PEE)
Pro-Glu-Glu
ME464234
-
-
1.05E+01
-
pantothenate
Pantothenic acid
ME464187
-
-
1.07E+01
-
Acetyllysine
N(2)-Acetyllysine
ME464181
-
-
1.10E+00
-
dGMP/AMP
dGMP
ME464226
-
-
1.10E+01
-
Ser-Ile-Asp (SID)
Ser-Ile-Asp
ME464223
-
-
1.10E+01
-
nicotinate
Nicotinic acid
ME464143
-
-
1.12E+01
-
Hexose
Hexose
ME464175
-
-
1.13E+00
-
dTMP
dTMP
ME464217
-
-
1.13E+01
-
serine
Serine
ME464134
-
-
1.14E+00
-
asparagine
Asparagine
ME464150
-
-
1.15E+00
-
hydroxyproline/Aminolevulinate
cis-3-Hydroxyproline
ME464146
-
-
1.15E+00
-
Asp-Leu-Ser (DLS)
Asp-Leu-Ser
ME464222
-
-
1.15E+01
-
Pro-Val-Asn-Phe (PVNF)
Pro-Val-Asn-Phe
ME464250
-
-
1.16E+01
-
glutamine
Glutamine
ME464155
-
-
1.17E+00
-
succinate/Methylmalonic acid
Methylmalonic acid
ME464141
-
-
1.17E+01
-
hypoxanthine
Hypoxanthine
ME464153
-
-
1.18E+00
-
cytidine
Cytidine
ME464196
-
-
1.20E+00
-
DL-Pipecolic Acid
Pipecolic acid
ME464145
-
-
1.20E+00
-
dAMP
dAMP
ME464221
-
-
1.20E+01
-
N-acetyl-L-ornithine
N-Acetylornithine
ME464170
-
-
1.21E+00
-
2-Hydroxy-2-methylbutanedioic acid
Citramalic acid
ME464158
-
-
1.21E+01
-
ribose
Ribose
ME464160
-
-
1.22E+00
-
N-carbamoyl-L-aspartate
Carbamoylaspartate
ME464173
-
-
1.23E+01
-
proline
Proline
ME464136
-
-
1.27E+00
-
malate
Malic acid
ME464152
-
-
1.27E+01
-
maleic acid
Maleic acid
ME464138
-
-
1.27E+01
-
xanthosine-5-phosphate
XMP
ME464230
-
-
1.27E+01
-
biotin
Biotin
ME464198
-
-
1.29E+01
-
glutathione disulfide
Oxidized glutathione
ME464264
-
-
1.29E+01
-
acetyl-aspartate
N-Acetylaspartic acid
ME464172
-
-
1.30E+01
-
cyclic-AMP
3',5' cyclic AMP
ME464220
-
-
1.30E+01
-
a-ketoglutarate
2-Oxoglutaric acid
ME464154
-
-
1.31E+01
-
4-phosphopantetheine
Pantetheine 4'-phosphate
ME464228
-
-
1.33E+01
-
6-phospho-D-gluconate
6-Phosphogluconic acid
ME464207
-
-
1.34E+01
-
N-acetyl-glutamate
N-Acetylglutamic acid
ME464182
-
-
1.34E+01
-
UDP-D-glucose
UDP-glucose
ME464260
-
-
1.34E+01
-
UDP-N-acetyl-glucosamine
UDP-N-acetylglucosamine
ME464263
-
-
1.34E+01
-
CDP
CDP
ME464241
-
-
1.35E+01
-
fumarate
Fumaric acid
ME464137
-
-
1.35E+01
-
3-phosphoglycerate
3-Phosphoglyceric acid
ME464179
-
-
1.36E+01
-
citrate/isocitrate
Citric acid/Isocitric acid
ME464183
-
-
1.36E+01
-
dCDP
dCDP
ME464237
-
-
1.36E+01
-
fructose-1-6-bisphosphate
Fructose 1,6-bisphosphate
ME464225
-
-
1.36E+01
-
Octulose Bisphosphate
-
ME464239
-
-
1.36E+01
-
orotidine-5'-phosphate
Orotidylic acid
ME464232
-
-
1.36E+01
-
Sedoheptulose bisphosphate
Sedoheptulose 1,7-bisphosphate
ME464233
-
-
1.36E+01
-
ADP-D-glucose
ADP-glucose
ME464262
-
-
1.37E+01
-
phosphoenolpyruvate
Phosphoenolpyruvic acid
ME464166
-
-
1.38E+01
-
UDP
UDP
ME464242
-
-
1.38E+01
-
4-phosphopantothenate
(R)-4'-Phosphopantothenic acid
ME464212
-
-
1.39E+01
-
GDP
GDP
ME464246
-
-
1.39E+01
-
NADP+
NADP+
ME464267
-
-
1.39E+01
-
dGDP/ADP
ADP
ME464244
-
-
1.40E+01
-
folate
Folic acid
ME464245
-
-
1.40E+01
-
4-Pyridoxic acid
4-Pyridoxic acid
ME464177
-
-
1.41E+01
-
NADH
NADH
ME464266
-
-
1.41E+01
-
dTDP
dTDP
ME464240
-
-
1.44E+01
-
valine
Valine
ME464140
-
-
1.45E+00
-
FMN
FMN
ME464248
-
-
1.45E+01
-
2_3-Diphosphoglyceric acid
2,3-Diphosphoglyceric acid
ME464205
-
-
1.47E+01
-
UDP-D-glucuronate
UDP-glucuronic acid
ME464261
-
-
1.47E+01
-
CTP
CTP
ME464252
-
-
1.48E+01
-
dATP
dATP
ME464256
-
-
1.48E+01
-
dCTP
dCTP
ME464249
-
-
1.48E+01
-
dGTP/ATP
ATP
ME464258
-
-
1.48E+01
-
dTTP
dTTP
ME464251
-
-
1.48E+01
-
UTP
UTP
ME464253
-
-
1.48E+01
-
GTP
GTP
ME464259
-
-
1.49E+01
-
NADPH
NADPH
ME464268
-
-
1.49E+01
-
FAD
FAD
ME464270
-
-
1.50E+01
-
5-phosphoribosyl-1-pyrophosphate
Phosphoribosyl pyrophosphate
ME464238
-
-
1.51E+01
-
thiamine
Thiamine
ME464204
-
-
1.55E+00
-
coenzyme A
Coenzyme A
ME464269
-
-
1.59E+01
-
acetyl-CoA
Acetyl-CoA
ME464271
-
-
1.62E+01
-
Phenol Red
Phenolsulfonphthalein
ME464129
-
-
1.69E+01
-
succinyl-CoA/methylmalonyl-CoA
-
ME464272
-
-
1.69E+01
-
uridine
Uridine
ME464197
-
-
1.70E+00
-
nicotinamide mononucleotide
Nicotinamide ribotide
ME464224
-
-
1.71E+00
-
chlorpropamide
Chlorpropamide
ME464127
-
-
1.72E+01
-
methionine
Methionine
ME464159
-
-
1.77E+00
-
pyridoxine
Pyridoxine
ME464167
-
-
1.80E+00
-
D-glucosamine-1/6-phosphate
-
ME464201
-
-
1.90E+00
-
Decanoyl-CoA
Decanoyl-CoA
ME464273
-
-
1.94E+01
-
tyrosine
Tyrosine
ME464176
-
-
2.00E+00
-
Atovaquone
Atovaquone
ME464231
-
-
21.39
-
isoleucine
Isoleucine
ME464148
-
-
2.22E+00
-
leucine
Leucine
ME464149
-
-
2.60E+00
-
L-arginino-succinate
Argininosuccinic acid
ME464211
-
-
3.25E+00
-
glutamate
Glutamic acid
ME464157
-
-
3.26E+00
-
Pro-Glu-Glu-Lys (PEEK)
-
ME464257
-
-
3.38E+00
-
guanine
Guanine
ME464161
-
-
3.40E+00
-
inosine
Inosine
ME464206
-
-
3.50E+00
-
deoxyuridine
Deoxyuridine
ME464189
-
-
3.54E+00
-
Asp-Leu-His (DLH)
Asp-Leu-His
ME464235
-
-
3.73E+00
-
4-aminobutyrate
gamma-Aminobutyric acid
ME464133
-
-
4.00E+00
-
guanosine
Guanosine
ME464208
-
-
4.00E+00
-
Ser-Asp (SD)
Ser-Asp
ME464188
-
-
4.08E+00
-
aspartate
Aspartic acid
ME464151
-
-
4.28E+00
-
phenylalanine
Phenylalanine
ME464165
-
-
4.37E+00
-
aspartate (standard)
Aspartic acid
ME464128
-
-
4.46E+00
-
Pro-Glu (PE)
Pro-Glu
ME464199
-
-
4.55E+00
-
Pro-Asp (PD)
Pro-Asp
ME464193
-
-
4.68E+00
-
2-dehydro-D-gluconate
2-Dehydro-D-gluconic acid
ME464184
-
-
5.00E+00
-
D-gluconate
Gluconic acid
ME464185
-
-
5.00E+00
-
thymidine
Thymidine
ME464195
-
-
5.40E+00
-
Octulose 8/1P
-
ME464216
-
-
6.00E+00
-
ribose-phosphate
Ribose 5-phosphate
ME464191
-
-
6.00E+00
-
Val-Asp (VD)
Val-Asp
ME464194
-
-
6.33E+00
-
glycerate
Glyceric acid
ME464135
-
-
6.35E+00
-
CDP-ethanolamine
CDP-Ethanolamine
ME464247
-
-
6.38E+00
-
CDP-choline
CDP-choline
ME464255
-
-
6.53E+00
-
S-adenosyl-L-homocysteine
S-Adenosylhomocysteine
ME464236
-
-
6.86E+00
-
dihydroorotate
4,5-Dihydroorotic acid
ME464164
-
-
6.90E+00
-
glucono-lactone
Gluconolactone
ME464174
-
-
6.90E+00
-
Ribose-5-phosphate
Ribose 5-phosphate
ME464192
-
-
6.94E+00
-
N-acetyl-glutamine
N-Acetylglutamine
ME464180
-
-
7.00E+00
-
lactate
Lactic acid
ME464132
-
-
7.28E+00
-
D-sedoheptulose-1/7-phosphate
-
ME464210
-
-
7.29E+00
-
N-acetyl-glucosamine-1/6-phosphate
-
ME464213
-
-
7.30E+00
-
sn-glycerol-3-phosphate
sn-Glycero-3-phosphate
ME464169
-
-
7.30E+00
-
indole
Indole
ME464139
-
-
7.50E+00
-
tryptophan
Tryptophan
ME464186
-
-
7.50E+00
-
Pyroglutamic acid
Pyroglutamic acid
ME464144
-
-
7.69E+00
-
xanthosine
Xanthosine
ME464209
-
-
7.77E+00
-
ribulose-5-phosphate
Ribulose 5-phosphate
ME464190
-
-
7.81E+00
-
fructose-6-phosphate
Fructose 6-phosphate
ME464202
-
-
7.98E+00
-
glucose-1-phosphate
Glucose 1-phosphate
ME464203
-
-
7.98E+00
-
glutathione
Glutathione
ME464215
-
-
8.02E+00
-
orotate
Orotic acid
ME464163
-
-
8.10E+00
-
3-phospho-serine
Phosphoserine
ME464178
-
-
8.20E+00
-
N-Acetyl-L-alanine
N-Acetylalanine
ME464147
-
-
8.51E+00
-
CMP
CMP
ME464218
-
-
8.61E+00
-
NAD+
NAD+
ME464265
-
-
8.62E+00
-
Leu-Asp (LD)
Leu-Asp
ME464200
-
-
8.65E+00
-
pyruvate
Pyruvic acid
ME464130
-
-
8.67E+00
-
dihydroxy-acetone-phosphate
Dihydroxyacetone phosphate
ME464168
-
-
9.00E+00
-
Thiamine pyrophosphate
Thiamine diphosphate
ME464243
-
-
9.31E+00
-
dCMP
dCMP
ME464214
-
-
9.80E+00
-
His-Val-Asp-Asp (HVDD)
-
ME464254
-
-
9.83E+00
-
arginine
Arginine
ME464171
-
-
-
-
histidine
Histidine
ME464162
-
-
-
-
lysine
Lysine
ME464156
-
-
-
-
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
alanine/sarcosine
Alanine/Sarcosine
ME464277
-
-
1.00E+00
-
carnitine
Carnitine
ME464317
-
-
1.00E+00
-
ornithine
Ornithine
ME464300
-
-
1.00E+00
-
threonine/homoserine
Threonine/Homoserine
ME464287
-
-
1.00E+00
-
UMP
UMP
ME464394
-
-
1.03E+01
-
GMP
GMP
ME464404
-
-
1.05E+01
-
IMP
IMP
ME464402
-
-
1.05E+01
-
Pro-Glu-Glu (PEE)
Pro-Glu-Glu
ME464407
-
-
1.05E+01
-
pantothenate
Pantothenic acid
ME464349
-
-
1.07E+01
-
Acetyllysine
N(2)-Acetyllysine
ME464337
-
-
1.10E+00
-
dGMP/AMP
dGMP
ME464401
-
-
1.10E+01
-
nicotinate
Nicotinic acid
ME464289
-
-
1.12E+01
-
Ser-Asp-Leu (SDL)
Ser-Asp-Leu
ME464396
-
-
1.12E+01
-
Hexose
Hexose
ME464330
-
-
1.13E+00
-
dTMP
dTMP
ME464392
-
-
1.13E+01
-
cystathionine
Cystathionine
ME464352
-
-
1.14E+00
-
serine
Serine
ME464280
-
-
1.14E+00
-
Nicotinic acid mononucleotide
Nicotinic acid mononucleotide
ME464398
-
-
1.14E+01
-
asparagine
Asparagine
ME464299
-
-
1.15E+00
-
hydroxyproline/Aminolevulinate
cis-3-Hydroxyproline
ME464293
-
-
1.15E+00
-
Asp-Leu-Ser (DLS)
Asp-Leu-Ser
ME464395
-
-
1.15E+01
-
Pro-Val-Asn-Phe (PVNF)
Pro-Val-Asn-Phe
ME464426
-
-
1.16E+01
-
S-methyl-5'-thioadenosine
5'-Methylthioadenosine
ME464383
-
-
1.16E+01
-
glutamine
Glutamine
ME464306
-
-
1.17E+00
-
succinate/Methylmalonic acid
Methylmalonic acid
ME464286
-
-
1.17E+01
-
hypoxanthine
Hypoxanthine
ME464302
-
-
1.18E+00
-
cytidine
Cytidine
ME464362
-
-
1.20E+00
-
DL-Pipecolic Acid
Pipecolic acid
ME464291
-
-
1.20E+00
-
deoxyadenosine
Deoxyadenosine
ME464368
-
-
1.20E+01
-
N-acetyl-L-ornithine
N-Acetylornithine
ME464324
-
-
1.21E+00
-
2-Hydroxy-2-methylbutanedioic acid
Citramalic acid
ME464309
-
-
1.21E+01
-
Carbamoyl phosphate
Carbamoylphosphate
ME464304
-
-
1.21E+01
-
ribose
Ribose
ME464311
-
-
1.22E+00
-
cysteine
Cysteine
ME464288
-
-
1.23E+00
-
N-carbamoyl-L-aspartate
Carbamoylaspartate
ME464327
-
-
1.23E+01
-
riboflavin
Riboflavin
ME464408
-
-
1.26E+01
-
proline
Proline
ME464281
-
-
1.27E+00
-
malate
Malic acid
ME464301
-
-
1.27E+01
-
maleic acid
Maleic acid
ME464283
-
-
1.27E+01
-
xanthosine-5-phosphate
XMP
ME464405
-
-
1.27E+01
-
Cystine
Cystine
ME464359
-
-
1.29E+00
-
biotin
Biotin
ME464364
-
-
1.29E+01
-
glutathione disulfide
Oxidized glutathione
ME464441
-
-
1.29E+01
-
acetyl-aspartate
N-Acetylaspartic acid
ME464326
-
-
1.30E+01
-
Asp-Ala-Leu (DAL)
Asp-Ala-Leu
ME464389
-
-
1.30E+01
-
2-keto-isovalerate
Ketoisovaleric acid
ME464284
-
-
1.31E+01
-
a-ketoglutarate
2-Oxoglutaric acid
ME464305
-
-
1.31E+01
-
creatine
Creatine
ME464295
-
-
1.33E+00
-
4-phosphopantetheine
Pantetheine 4'-phosphate
ME464403
-
-
1.33E+01
-
Citraconic acid
Citraconic acid
ME464292
-
-
1.33E+01
-
6-phospho-D-gluconate
6-Phosphogluconic acid
ME464376
-
-
1.34E+01
-
N-acetyl-glutamate
N-Acetylglutamic acid
ME464339
-
-
1.34E+01
-
UDP-D-glucose
UDP-glucose
ME464436
-
-
1.34E+01
-
UDP-N-acetyl-glucosamine
UDP-N-acetylglucosamine
ME464440
-
-
1.34E+01
-
CDP
CDP
ME464417
-
-
1.35E+01
-
fumarate
Fumaric acid
ME464282
-
-
1.35E+01
-
3-phosphoglycerate
3-Phosphoglyceric acid
ME464335
-
-
1.36E+01
-
citrate/isocitrate
Citric acid/Isocitric acid
ME464340
-
-
1.36E+01
-
dCDP
dCDP
ME464412
-
-
1.36E+01
-
fructose-1-6-bisphosphate
Fructose 1,6-bisphosphate
ME464399
-
-
1.36E+01
-
Octulose Bisphosphate
-
ME464415
-
-
1.36E+01
-
oxaloacetate
Oxaloacetic acid
ME464298
-
-
1.36E+01
-
Sedoheptulose bisphosphate
Sedoheptulose 1,7-bisphosphate
ME464406
-
-
1.36E+01
-
ADP-D-glucose
ADP-glucose
ME464438
-
-
1.37E+01
-
phosphoenolpyruvate
Phosphoenolpyruvic acid
ME464319
-
-
1.38E+01
-
UDP
UDP
ME464418
-
-
1.38E+01
-
1_3-Bisphosphoglyceric acid
3-Phospho-D-glyceroyl dihydrogen phosphate
ME464373
-
-
1.39E+01
-
4-phosphopantothenate
(R)-4'-Phosphopantothenic acid
ME464384
-
-
1.39E+01
-
GDP
GDP
ME464423
-
-
1.39E+01
-
IDP
IDP
ME464421
-
-
1.39E+01
-
NADP+
NADP+
ME464445
-
-
1.39E+01
-
Pyrophosphate
Pyrophosphate
ME464328
-
-
1.39E+01
-
Pro-Thr-Thr (PTT)
Pro-Thr-Thr
ME464390
-
-
1.40E+00
-
aconitate
trans-Aconitic acid
ME464323
-
-
1.40E+01
-
dGDP/ADP
ADP
ME464420
-
-
1.40E+01
-
folate
Folic acid
ME464422
-
-
1.40E+01
-
4-Pyridoxic acid
4-Pyridoxic acid
ME464333
-
-
1.41E+01
-
NADH
NADH
ME464443
-
-
1.41E+01
-
Xanthurenic acid
Xanthurenic acid
ME464345
-
-
1.41E+01
-
Kynurenic acid
Kynurenic acid
ME464338
-
-
1.42E+01
-
dTDP
dTDP
ME464416
-
-
1.44E+01
-
valine
Valine
ME464285
-
-
1.45E+00
-
UDP-D-glucuronate
UDP-glucuronic acid
ME464437
-
-
1.47E+01
-
CTP
CTP
ME464428
-
-
1.48E+01
-
dATP
dATP
ME464432
-
-
1.48E+01
-
dCTP
dCTP
ME464425
-
-
1.48E+01
-
dGTP/ATP
ATP
ME464434
-
-
1.48E+01
-
dTTP
dTTP
ME464427
-
-
1.48E+01
-
UTP
UTP
ME464429
-
-
1.48E+01
-
GTP
GTP
ME464435
-
-
1.49E+01
-
NADPH
NADPH
ME464446
-
-
1.49E+01
-
FAD
FAD
ME464448
-
-
1.50E+01
-
5-phosphoribosyl-1-pyrophosphate
Phosphoribosyl pyrophosphate
ME464413
-
-
1.51E+01
-
dephospho-CoA
3'-Dephospho-CoA
ME464444
-
-
1.51E+01
-
guanosine 5'-diphosphate-3'-diphosphate
-
ME464439
-
-
1.52E+01
-
thiamine
Thiamine
ME464372
-
-
1.55E+00
-
coenzyme A
Coenzyme A
ME464447
-
-
1.59E+01
-
lipoate
Lipoic acid
ME464346
-
-
1.60E+01
-
acetyl-CoA
Acetyl-CoA
ME464410
-
-
1.62E+01
-
Tetrahydrobiopterin
Sapropterin
ME464360
-
-
1.68E+00
-
Phenol Red
Phenolsulfonphthalein
ME464276
-
-
1.69E+01
-
succinyl-CoA/methylmalonyl-CoA
-
ME464449
-
-
1.69E+01
-
uridine
Uridine
ME464363
-
-
1.70E+00
-
N-acetyl-glucosamine
N-Acetyl-D-glucosamine
ME464351
-
-
1.71E+00
-
nicotinamide mononucleotide
Nicotinamide ribotide
ME464397
-
-
1.71E+00
-
chlorpropamide
Chlorpropamide
ME464275
-
-
1.72E+01
-
methionine
Methionine
ME464310
-
-
1.77E+00
-
pyridoxine
Pyridoxine
ME464320
-
-
1.80E+00
-
Octanoyl-CoA
Octanoyl-CoA
ME464450
-
-
1.87E+01
-
D-glucosamine-1/6-phosphate
-
ME464369
-
-
1.90E+00
-
Decanoyl-CoA
Decanoyl-CoA
ME464451
-
-
1.94E+01
-
tyrosine
Tyrosine
ME464332
-
-
2.00E+00
-
Triclosan
Triclosan
ME464380
-
-
20.4
-
Myristoyl/tetradecanoyl-CoA
Myristoyl-CoA
ME464452
-
-
2.18E+01
-
isoleucine
Isoleucine
ME464296
-
-
2.22E+00
-
leucine
Leucine
ME464297
-
-
2.60E+00
-
xanthine
Xanthine
ME464313
-
-
2.69E+00
-
1-Methyladenosine
1-Methyladenosine
ME464377
-
-
3.00E+00
-
L-arginino-succinate
Argininosuccinic acid
ME464382
-
-
3.25E+00
-
glutamate
Glutamic acid
ME464308
-
-
3.26E+00
-
Pro-Glu-Glu-Lys (PEEK)
-
ME464433
-
-
3.38E+00
-
guanine
Guanine
ME464312
-
-
3.40E+00
-
inosine
Inosine
ME464375
-
-
3.50E+00
-
deoxyuridine
Deoxyuridine
ME464353
-
-
3.54E+00
-
Kynurenine
Kynurenine
ME464347
-
-
3.60E+00
-
Asp-Leu-His (DLH)
Asp-Leu-His
ME464409
-
-
3.73E+00
-
4-aminobutyrate
gamma-Aminobutyric acid
ME464279
-
-
4.00E+00
-
guanosine
Guanosine
ME464378
-
-
4.00E+00
-
Ser-Asp (SD)
Ser-Asp
ME464350
-
-
4.08E+00
-
phenylalanine
Phenylalanine
ME464318
-
-
4.37E+00
-
aspartate (standard)
Aspartic acid
ME464274
-
-
4.46E+00
-
Pro-Glu (PE)
Pro-Glu
ME464365
-
-
4.55E+00
-
Pro-Asp (PD)
Pro-Asp
ME464357
-
-
4.68E+00
-
deoxyguanosine
Deoxyguanosine
ME464374
-
-
4.80E+00
-
cCMP
-
ME464386
-
-
4.91E+00
-
2-dehydro-D-gluconate
2-Dehydro-D-gluconic acid
ME464341
-
-
5.00E+00
-
D-gluconate
Gluconic acid
ME464342
-
-
5.00E+00
-
thymidine
Thymidine
ME464361
-
-
5.40E+00
-
Octulose 8/1P
-
ME464391
-
-
6.00E+00
-
ribose-phosphate
Ribose 5-phosphate
ME464354
-
-
6.00E+00
-
Val-Asp (VD)
Val-Asp
ME464358
-
-
6.33E+00
-
CDP-ethanolamine
CDP-Ethanolamine
ME464424
-
-
6.38E+00
-
CDP-choline
CDP-choline
ME464431
-
-
6.53E+00
-
S-adenosyl-L-homocysteine
S-Adenosylhomocysteine
ME464411
-
-
6.86E+00
-
dihydroorotate
4,5-Dihydroorotic acid
ME464316
-
-
6.90E+00
-
glucono-lactone
Gluconolactone
ME464329
-
-
6.90E+00
-
Ribose-5-phosphate
Ribose 5-phosphate
ME464355
-
-
6.94E+00
-
hexose-phosphate
Hexose 6-phosphate
ME464371
-
-
7.00E+00
-
N-acetyl-glutamine
N-Acetylglutamine
ME464336
-
-
7.00E+00
-
S-adenosyl-L-methionine
S-Adenosylmethionine
ME464414
-
-
7.00E+00
-
myo-inositol
Myo-inositol
ME464331
-
-
7.20E+00
-
lactate
Lactic acid
ME464278
-
-
7.28E+00
-
D-sedoheptulose-1/7-phosphate
-
ME464381
-
-
7.29E+00
-
N-acetyl-glucosamine-1/6-phosphate
-
ME464385
-
-
7.30E+00
-
sn-glycerol-3-phosphate
sn-Glycero-3-phosphate
ME464322
-
-
7.30E+00
-
D-erythrose-4-phosphate
Erythrose 4-phosphate
ME464343
-
-
7.45E+00
-
tryptophan
Tryptophan
ME464344
-
-
7.50E+00
-
Pyroglutamic acid
Pyroglutamic acid
ME464290
-
-
7.69E+00
-
deoxyribose-phosphate
Deoxyribose 5-phosphate
ME464348
-
-
7.74E+00
-
xanthosine
Xanthosine
ME464379
-
-
7.77E+00
-
ribulose-5-phosphate
Ribulose 5-phosphate
ME464356
-
-
7.81E+00
-
glucose-1-phosphate
Glucose 1-phosphate
ME464370
-
-
7.98E+00
-
Glu-Val (EV)
Glu-Val
ME464366
-
-
7.99E+00
-
glutathione
Glutathione
ME464388
-
-
8.02E+00
-
orotate
Orotic acid
ME464315
-
-
8.10E+00
-
3-phospho-serine
Phosphoserine
ME464334
-
-
8.20E+00
-
cGMP
3',5' cyclic GMP
ME464400
-
-
8.20E+00
-
N-Acetyl-L-alanine
N-Acetylalanine
ME464294
-
-
8.51E+00
-
CMP
CMP
ME464393
-
-
8.61E+00
-
NAD+
NAD+
ME464442
-
-
8.62E+00
-
Leu-Asp (LD)
Leu-Asp
ME464367
-
-
8.65E+00
-
p-aminobenzoate
p-Aminobenzoic acid
ME464303
-
-
8.70E+00
-
dihydroxy-acetone-phosphate
Dihydroxyacetone phosphate
ME464321
-
-
9.00E+00
-
Thiamine pyrophosphate
Thiamine diphosphate
ME464419
-
-
9.31E+00
-
dCMP
dCMP
ME464387
-
-
9.80E+00
-
His-Val-Asp-Asp (HVDD)
-
ME464430
-
-
9.83E+00
-
arginine
Arginine
ME464325
-
-
-
-
histidine
Histidine
ME464314
-
-
-
-
lysine
Lysine
ME464307
-
-
-
-
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
taurine
Taurine
ME464469
-
-
0.82
-
lysine
Lysine
ME464491
-
-
0.85
-
arginine
Arginine
ME464511
-
-
0.87
-
histidine
Histidine
ME464498
-
-
0.87
-
citrulline
Citrulline
ME464513
-
-
0.9
-
alanine/sarcosine
Alanine/Sarcosine
ME464456
-
-
1
-
carnitine
Carnitine
ME464502
-
-
1
-
homocysteine
Homocysteine
ME464483
-
-
1
-
ornithine
Ornithine
ME464481
-
-
1
-
threonine/homoserine
Threonine/Homoserine
ME464467
-
-
1
-
UMP
UMP
ME464575
-
-
10.32
-
GMP
GMP
ME464588
-
-
10.5
-
IMP
IMP
ME464586
-
-
10.5
-
Pro-Glu-Glu (PEE)
Pro-Glu-Glu
ME464592
-
-
10.5
-
pantothenate
Pantothenic acid
ME464533
-
-
10.69
-
p-hydroxybenzoate
4-Hydroxybenzoic acid
ME464488
-
-
10.88
-
Ser-Ile-Asp (SID)
Ser-Ile-Asp
ME464580
-
-
10.96
-
dGMP/AMP
dGMP
ME464585
-
-
11
-
Acetyllysine
N(2)-Acetyllysine
ME464523
-
-
1.1
-
nicotinate
Nicotinic acid
ME464468
-
-
11.2
-
Ser-Asp-Leu (SDL)
Ser-Asp-Leu
ME464579
-
-
11.22
-
dTMP
dTMP
ME464573
-
-
11.27
-
Hexose
Hexose
ME464517
-
-
1.13
-
cystathionine
Cystathionine
ME464536
-
-
1.14
-
serine
Serine
ME464459
-
-
1.14
-
Nicotinic acid mononucleotide
Nicotinic acid mononucleotide
ME464582
-
-
11.44
-
Asp-Leu-Ser (DLS)
Asp-Leu-Ser
ME464577
-
-
11.46
-
asparagine
Asparagine
ME464479
-
-
1.15
-
hydroxyproline/Aminolevulinate
cis-3-Hydroxyproline
ME464474
-
-
1.15
-
S-methyl-5'-thioadenosine
5'-Methylthioadenosine
ME464562
-
-
11.6
-
Pro-Val-Asn-Phe (PVNF)
Pro-Val-Asn-Phe
ME464608
-
-
11.64
-
glutamine
Glutamine
ME464490
-
-
1.17
-
succinate/Methylmalonic acid
Methylmalonic acid
ME464466
-
-
11.72
-
hypoxanthine
Hypoxanthine
ME464485
-
-
1.18
-
deoxyadenosine
Deoxyadenosine
ME464549
-
-
11.99
-
dAMP
dAMP
ME464576
-
-
12
-
cytidine
Cytidine
ME464544
-
-
1.2
-
DL-Pipecolic Acid
Pipecolic acid
ME464471
-
-
1.2
-
2-Hydroxy-2-methylbutanedioic acid
Citramalic acid
ME464493
-
-
12.06
-
N-acetyl-L-ornithine
N-Acetylornithine
ME464510
-
-
1.21
-
ribose
Ribose
ME464495
-
-
1.22
-
N-carbamoyl-L-aspartate
Carbamoylaspartate
ME464514
-
-
12.25
-
proline
Proline
ME464461
-
-
1.27
-
malate
Malic acid
ME464482
-
-
12.7
-
xanthosine-5-phosphate
XMP
ME464589
-
-
12.7
-
maleic acid
Maleic acid
ME464462
-
-
12.71
-
Cystine
Cystine
ME464543
-
-
1.29
-
biotin
Biotin
ME464545
-
-
12.92
-
glutathione disulfide
Oxidized glutathione
ME464618
-
-
12.94
-
acetyl-aspartate
N-Acetylaspartic acid
ME464512
-
-
13
-
Asp-Ala-Leu (DAL)
Asp-Ala-Leu
ME464569
-
-
13
-
D-glucarate
Glucaric acid
ME464531
-
-
13
-
2-keto-isovalerate
Ketoisovaleric acid
ME464464
-
-
13.06
-
a-ketoglutarate
2-Oxoglutaric acid
ME464489
-
-
13.13
-
Citraconic acid
Citraconic acid
ME464472
-
-
13.29
-
creatine
Creatine
ME464476
-
-
1.33
-
4-phosphopantetheine
Pantetheine 4'-phosphate
ME464587
-
-
13.3
-
N-acetyl-glutamate
N-Acetylglutamic acid
ME464525
-
-
13.37
-
UDP-N-acetyl-glucosamine
UDP-N-acetylglucosamine
ME464617
-
-
13.37
-
6-phospho-D-gluconate
6-Phosphogluconic acid
ME464557
-
-
13.38
-
UDP-D-glucose
UDP-glucose
ME464614
-
-
13.44
-
fumarate
Fumaric acid
ME464463
-
-
13.49
-
anthranilate
2-Aminobenzoic acid
ME464486
-
-
13.51
-
CDP
CDP
ME464597
-
-
13.53
-
3-phosphoglycerate
3-Phosphoglyceric acid
ME464522
-
-
13.58
-
orotidine-5'-phosphate
Orotidylic acid
ME464590
-
-
13.58
-
quinolinate
Quinolinic acid
ME464504
-
-
13.58
-
citrate/isocitrate
Citric acid/Isocitric acid
ME464526
-
-
13.6
-
fructose-1-6-bisphosphate
Fructose 1,6-bisphosphate
ME464583
-
-
13.6
-
Octulose Bisphosphate
-
ME464596
-
-
13.64
-
Sedoheptulose bisphosphate
Sedoheptulose 1,7-bisphosphate
ME464591
-
-
13.64
-
ADP-D-glucose
ADP-glucose
ME464616
-
-
13.72
-
UDP
UDP
ME464598
-
-
13.81
-
phosphoenolpyruvate
Phosphoenolpyruvic acid
ME464505
-
-
13.83
-
1_3-Bisphosphoglyceric acid
3-Phospho-D-glyceroyl dihydrogen phosphate
ME464554
-
-
13.87
-
NADP+
NADP+
ME464622
-
-
13.87
-
prephenate
Prephenic acid
ME464537
-
-
13.87
-
Pyrophosphate
Pyrophosphate
ME464515
-
-
13.87
-
GDP
GDP
ME464603
-
-
13.9
-
IDP
IDP
ME464601
-
-
13.9
-
4-phosphopantothenate
(R)-4'-Phosphopantothenic acid
ME464563
-
-
13.94
-
folate
Folic acid
ME464602
-
-
13.99
-
dGDP/ADP
ADP
ME464600
-
-
14
-
Pro-Thr-Thr (PTT)
Pro-Thr-Thr
ME464570
-
-
1.4
-
4-Pyridoxic acid
4-Pyridoxic acid
ME464520
-
-
14.14
-
Hydroxyisocaproic acid
Hydroxyisocaproic acid
ME464480
-
-
14.14
-
NADH
NADH
ME464620
-
-
14.14
-
Xanthurenic acid
Xanthurenic acid
ME464530
-
-
14.14
-
Kynurenic acid
Kynurenic acid
ME464524
-
-
14.22
-
Ketoleucine
Ketoleucine
ME464473
-
-
14.3
-
valine
Valine
ME464465
-
-
1.45
-
FMN
FMN
ME464605
-
-
14.54
-
UDP-D-glucuronate
UDP-glucuronic acid
ME464615
-
-
14.68
-
dGTP/ATP
ATP
ME464613
-
-
14.77
-
dUTP
dUTP
ME464607
-
-
14.81
-
UTP
UTP
ME464609
-
-
14.81
-
NADPH
NADPH
ME464623
-
-
14.87
-
FAD
FAD
ME464624
-
-
15
-
Isopentyl-PP
-
ME464571
-
-
15.06
-
5-phosphoribosyl-1-pyrophosphate
Phosphoribosyl pyrophosphate
ME464595
-
-
15.13
-
thiamine
Thiamine
ME464553
-
-
1.55
-
Val-Asp-Pro-Val-Asn-Phe (VDPVNF)
-
ME464621
-
-
16.38
-
Geranyl-PP
Geranyl diphosphate
ME464568
-
-
16.46
-
Cholic acid
Cholic acid
ME464599
-
-
16.69
-
Phenol Red
Phenolsulfonphthalein
ME464453
-
-
16.91
-
N-acetyl-glucosamine
N-Acetyl-D-glucosamine
ME464535
-
-
1.71
-
nicotinamide mononucleotide
Nicotinamide ribotide
ME464581
-
-
1.71
-
chlorpropamide
Chlorpropamide
ME464455
-
-
17.2
-
cholesteryl sulfate
Cholesterol sulfate
ME464606
-
-
17.25
-
methionine
Methionine
ME464494
-
-
1.77
-
pyridoxine
Pyridoxine
ME464507
-
-
1.8
-
D-glucosamine-1/6-phosphate
-
ME464550
-
-
1.9
-
Decanoyl-CoA
Decanoyl-CoA
ME464625
-
-
19.35
-
tyrosine
Tyrosine
ME464519
-
-
2
-
isoleucine
Isoleucine
ME464477
-
-
2.22
-
leucine
Leucine
ME464478
-
-
2.6
-
xanthine
Xanthine
ME464497
-
-
2.69
-
1-Methyladenosine
1-Methyladenosine
ME464558
-
-
3
-
Aminoadipic acid
Aminoadipic acid
ME464501
-
-
3.22
-
L-arginino-succinate
Argininosuccinic acid
ME464561
-
-
3.25
-
glutamate
Glutamic acid
ME464492
-
-
3.26
-
Pro-Glu-Glu-Lys (PEEK)
-
ME464612
-
-
3.38
-
guanine
Guanine
ME464496
-
-
3.4
-
adenine
Adenine
ME464484
-
-
3.5
-
inosine
Inosine
ME464556
-
-
3.5
-
Asp-Leu-His (DLH)
Asp-Leu-His
ME464593
-
-
3.73
-
4-aminobutyrate
gamma-Aminobutyric acid
ME464458
-
-
4
-
Ser-Asp (SD)
Ser-Asp
ME464534
-
-
4.08
-
phenylalanine
Phenylalanine
ME464503
-
-
4.37
-
aspartate (standard)
Aspartic acid
ME464454
-
-
4.46E+00
-
Pro-Glu (PE)
Pro-Glu
ME464547
-
-
4.55
-
Pro-Asp (PD)
Pro-Asp
ME464541
-
-
4.68
-
deoxyguanosine
Deoxyguanosine
ME464555
-
-
4.8
-
cCMP
-
ME464565
-
-
4.91
-
2-dehydro-D-gluconate
2-Dehydro-D-gluconic acid
ME464527
-
-
5
-
D-gluconate
Gluconic acid
ME464528
-
-
5
-
Octulose 8/1P
-
ME464572
-
-
6
-
ribose-phosphate
Ribose 5-phosphate
ME464539
-
-
6
-
Uric acid
Uric acid
ME464506
-
-
6.17
-
Val-Asp (VD)
Val-Asp
ME464542
-
-
6.33
-
glycerate
Glyceric acid
ME464460
-
-
6.35
-
CDP-ethanolamine
CDP-Ethanolamine
ME464604
-
-
6.38
-
CDP-choline
CDP-choline
ME464611
-
-
6.53
-
S-adenosyl-L-homocysteine
S-Adenosylhomocysteine
ME464594
-
-
6.86
-
dihydroorotate
4,5-Dihydroorotic acid
ME464500
-
-
6.9
-
glucono-lactone
Gluconolactone
ME464516
-
-
6.9
-
Ribose-5-phosphate
Ribose 5-phosphate
ME464540
-
-
6.94
-
hexose-phosphate
Hexose 6-phosphate
ME464551
-
-
7
-
myo-inositol
Myo-inositol
ME464518
-
-
7.2
-
lactate
Lactic acid
ME464457
-
-
7.28
-
D-sedoheptulose-1/7-phosphate
-
ME464560
-
-
7.29
-
N-acetyl-glucosamine-1/6-phosphate
-
ME464564
-
-
7.3
-
sn-glycerol-3-phosphate
sn-Glycero-3-phosphate
ME464509
-
-
7.3
-
D-glyceraldehdye-3-phosphate
Glyceraldehyde 3-phosphate
ME464508
-
-
7.35
-
tryptophan
Tryptophan
ME464529
-
-
7.5
-
Pyroglutamic acid
Pyroglutamic acid
ME464470
-
-
7.69
-
deoxyribose-phosphate
Deoxyribose 5-phosphate
ME464532
-
-
7.74
-
xanthosine
Xanthosine
ME464559
-
-
7.77
-
ribulose-5-phosphate
Ribulose 5-phosphate
ME464538
-
-
7.81
-
glucose-1-phosphate
Glucose 1-phosphate
ME464552
-
-
7.98
-
Glu-Val (EV)
Glu-Val
ME464546
-
-
7.99
-
glutathione
Glutathione
ME464567
-
-
8.02
-
orotate
Orotic acid
ME464499
-
-
8.1
-
3-phospho-serine
Phosphoserine
ME464521
-
-
8.2
-
cGMP
3',5' cyclic GMP
ME464584
-
-
8.2
-
Ile-Asp-Ser (IDS)
Ile-Asp-Ser
ME464578
-
-
8.38
-
N-Acetyl-L-alanine
N-Acetylalanine
ME464475
-
-
8.51
-
CMP
CMP
ME464574
-
-
8.61
-
NAD+
NAD+
ME464619
-
-
8.62
-
Leu-Asp (LD)
Leu-Asp
ME464548
-
-
8.65
-
p-aminobenzoate
p-Aminobenzoic acid
ME464487
-
-
8.7
-
dCMP
dCMP
ME464566
-
-
9.8
-
His-Val-Asp-Asp (HVDD)
-
ME464610
-
-
9.83
-
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