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Return to study ST001996 main page
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Dimethylglycine
Dimethylglycine
ME461038
-
C01026
-
104.0709
Choline
Choline
ME461055
-
C00114
-
104.1073
L-serine
Serine
ME461018
-
C00065
-
106.0503
Cytosine
Cytosine
ME461029
-
C00380
-
112.0508
Creatinine
Creatinine
ME461046
-
C00791
-
114.0663
L-proline
Proline
ME461017
-
C00148
-
116.0708
L-valine
Valine
ME461022
-
C00183
-
118.0864
L-threonine
Threonine
ME461019
-
C00188
-
120.0656
L-cysteine
Cysteine
ME461009
-
C00097
-
122.0271
Nicotinamide
Niacinamide
ME461033
-
C00153
-
123.0553
Picolinic acid
Picolinic acid
ME461053
-
C10164
-
124.0394
Taurine
Taurine
ME461049
-
C00245
-
126.0220
Thymine
Thymine
ME461030
-
C00178
-
127.0502
5-Oxoproline
Pyroglutamic acid
ME461035
-
C01879
-
130.0498
trans-4-Hydroxy-L-proline
trans-4-Hydroxyproline
ME461047
-
C01157
-
132.0654
Creatine
Creatine
ME461045
-
C00300
-
132.0766
L-leucine
Leucine
ME461013
-
C00123
-
132.1017
L-asparagine
Asparagine
ME461007
-
C00152
-
133.0607
L-aspartate
Aspartic acid
ME461008
-
C00049
-
134.0447
Adenine
Adenine
ME461025
-
C00147
-
136.0616
Hypoxanthine
Hypoxanthine
ME461031
-
C00262
-
137.0456
Anthranilate
2-Aminobenzoic acid
ME461052
-
C00108
-
138.0547
Acetylcholine
Acetylcholine
ME461054
-
C01996
-
146.1172
Spermidine
Spermidine
ME461042
-
C00315
-
146.1650
L-glutamine
Glutamine
ME461011
-
C00064
-
147.0762
L-lysine
Lysine
ME461014
-
C00047
-
147.1126
L-glutamate
Glutamic acid
ME461010
-
C00025
-
148.0601
L-methionine
Methionine
ME461015
-
C00073
-
150.0581
Guanine
Guanine
ME461026
-
C00242
-
152.0565
N6-Methyl-L-lysine
N(6)-Methyllysine
ME461060
-
C02728
-
161.1281
3-methyldioxyindole
3-Methyldioxyindole
ME461051
-
C05834
-
164.0703
cis-p-Coumarate
-
ME461059
-
C06738
-
165.0542
L-Methionine S-oxide
Methionine sulfoxide
ME461050
-
C02989
-
166.0528
L-phenylalanine
Phenylalanine
ME461016
-
C00079
-
166.0860
L-Noradrenaline
Norepinephrine
ME461062
-
C00547
-
170.0809
L-arginine
Arginine
ME461006
-
C00062
-
175.1187
L-Citrulline
Citrulline
ME461040
-
C00327
-
176.1026
Allantoate
Allantoic acid
ME461032
-
C00499
-
177.0606
Cys-Gly
Cys-Gly
ME461036
-
C01419
-
179.0480
L-tyrosine
Tyrosine
ME461021
-
C00082
-
182.0809
2-Oxo-7-methylthioheptanoic acid
2-Oxo-7-methylthioheptanoic acid
ME461063
-
C17220
-
191.0761
Spermine
Spermine
ME461043
-
C00750
-
203.2226
Triacanthine
Triacanthine
ME461056
-
C08435
-
204.1225
L-tryptophan
Tryptophan
ME461020
-
C00078
-
205.0967
Phosphocreatine
Phosphocreatine
ME461044
-
C02305
-
212.0425
Pantothenol
Pantothenol
ME461048
-
C00864
-
220.1173
Ergothioneine
Ergothioneine
ME461058
-
C02732
-
230.0951
gamma-Glutamyl-gamma-aminobutyrate
4-(Glutamylamino) butanoate
ME461037
-
C15767
-
233.1131
6-Lactoyl-5-6-7-8-tetrahydropterin
6-Lactoyltetrahydropterin
ME461057
-
C04244
-
240.1083
Cytidine
Cytidine
ME461028
-
C00475
-
244.0944
Fe(III)dicitrate
-
ME461061
-
C06229
-
245.9443
Adenosine
Adenosine
ME461024
-
C00212
-
268.1030
CMP
CMP
ME461027
-
C00055
-
324.0580
AMP
AMP
ME461023
-
C00020
-
348.0691
S-Adenosyl-L-methionine
S-Adenosylmethionine
ME461039
-
C00019
-
399.1429
NAD+
NAD+
ME461034
-
C00003
-
664.1138
glycine
Glycine
ME461012
-
C00037
-
76.0400
Putrescine
Putrescine
ME461041
-
C00134
-
89.1079
L-alanine
Alanine
ME461005
-
C00041
-
90.0555
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Uracil
Uracil
ME461065
-
C00106
-
111.0185
Fumarate
Fumaric acid
ME461079
-
C00122
-
115.0023
Succinate
Succinic acid
ME461078
-
C00042
-
117.0178
Itaconate
Itaconic acid
ME461082
-
C00490
-
129.0177
Oxaloacetate
Oxaloacetic acid
ME461081
-
C00036
-
131.0003
1-4-beta-D-Xylan
-
ME461090
-
C02352
-
131.0337
Ornithine
Ornithine
ME461088
-
C01602
-
131.0811
Malate
Malic acid
ME461080
-
C00149
-
133.0128
Ethanolamine phosphate
Phosphoethanolamine
ME461094
-
C00346
-
140.0103
2-Methyleneglutarate
-
ME461095
-
C02930
-
143.0336
2-Hydroxyglutarate/Citramalate
2-Hydroxyglutaric acid
ME461083
-
C02630
-
147.0286
2-Oxoadipate
Oxoadipic acid
ME461092
-
C00322
-
159.0289
Urate
Uric acid
ME461066
-
C00366
-
167.0196
D-Glyceraldehyde 3-phosphate/Glycerone phosphate
Glyceraldehyde 3-phosphate
ME461073
-
C00118
-
168.9886
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME461093
-
C00093
-
171.0054
9-Oxononanoic acid
9-Oxo-nonanoic acid
ME461097
-
C16322
-
171.1015
Ascorbate
Vitamin C
ME461087
-
C00072
-
175.0242
Diphosphate
Pyrophosphate
ME461069
-
C00013
-
176.9346
D-glucono-1,5-lactone
Gluconolactone
ME461096
-
C00198
-
177.0397
D-Glucose
Glucose
ME461070
-
C00031
-
179.0552
Citrate
Citric acid
ME461077
-
C00158
-
191.0187
alpha-D-Ribose 1-phosphate
Ribose 1-phosphate
ME461085
-
C00620
-
229.0110
N-formyl kynurenine
N-Formyl-L-kynurenine
ME461091
-
C02700
-
235.0750
D-Glucose 6-phosphate
Glucose 6-phosphate
ME461071
-
C00092
-
259.0215
Sedoheptulose 1-phosphate
Sedoheptulose 1-phosphate
ME461084
-
C06222
-
289.0324
Glutathione
Glutathione
ME461086
-
C00051
-
306.0761
N-Glycoloyl-neuraminate
N-Glycoloylneuraminic acid
ME461089
-
C03410
-
324.0929
3',5'-Cyclic IMP
3',5' cyclic IMP
ME461067
-
C00943
-
329.0299
D-Fructose 1-6-bisphosphate
Fructose 1,6-bisphosphate
ME461072
-
C00354
-
338.9883
Maltose
Maltose
ME461076
-
C00208
-
341.1084
UTP
UTP
ME461064
-
C00075
-
482.9600
Pyruvate
Pyruvic acid
ME461074
-
C00022
-
87.0071
Lactate
Lactic acid
ME461075
-
C01432
-
89.0228
Phosphate
Phosphoric acid
ME461068
-
C00009
-
96.9680
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