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Return to study ST001393 main page
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Aminobutyric Acid
Aminobutyric acid
ME320074
-
C00334
-
104.071154
Dimethyl Glycine
Dimethylglycine
ME320082
-
C01026
-
104.071154
Choline
Choline
ME320079
-
C00114
-
104.107539
Serine
Serine
ME320100
-
C00065
-
106.050419
Hypotaurine
Hypotaurine
ME320091
-
C00519
-
110.027576
Valine
Valine
ME320106
-
C00183
-
118.086804
Homoserine
Homoserine
ME320090
-
C00263
-
120.066069
Threonine
Threonine
ME320102
-
C00188
-
120.066069
Vitamin B3
Nicotinic acid
ME320107
-
C00253
-
124.039854
trans Hydroxyl proline
cis-3-Hydroxyproline
ME320103
-
C01157
-
132.066069
Isoleucine
Isoleucine
ME320092
-
C00407
-
132.102454
Leucine
Leucine
ME320093
-
C00123
-
132.102454
Asparagine
Asparagine
ME320076
-
C00152
-
133.061318
Ornithine
Ornithine
ME320098
-
C00077
-
133.097703
Aspartic acid
Aspartic acid
ME320077
-
C00049
-
134.045334
Adenine
Adenine
ME320070
-
C00147
-
136.06232
Homarine
Homarine
ME320089
-
-
-
138.055503
Trigonelline
Trigonelline
ME320104
-
C01004
-
138.055503
Lysine
Lysine
ME320094
-
C00047
-
147.113353
Methionine
Methionine
ME320095
-
C00073
-
150.058876
Guanine
Guanine
ME320086
-
C00242
-
152.057235
Histidine
Histidine
ME320088
-
C00135
-
156.077302
Carnitine
Carnitine
ME320078
-
C00487
-
162.113019
Methionine Sulfoxide
Methionine sulfoxide
ME320096
-
C02989
-
166.053791
Citrulline
Citrulline
ME320080
-
C00327
-
176.103517
Tyrosine
Tyrosine
ME320105
-
C00082
-
182.081719
N-Acetyl-Lysine
N(2)-Acetyllysine
ME320097
-
C02727
-
189.123918
Cystine
Cystine
ME320081
-
C00491
-
241.031677
Glucosylglycerol
Glucosylglycerol
ME320083
-
C11546
-
255.107995
Guanosine
Guanosine
ME320087
-
C00387
-
284.099495
Argininosuccinic Acid
Argininosuccinic acid
ME320075
-
C03406
-
291.13046
Glutathione
Glutathione
ME320084
-
C00051
-
308.091634
Adenosyl Homocysteine
S-Adenosylhomocysteine
ME320071
-
C00021
-
385.129416
Adenosyl Methionine
S-Adenosylmethionine
ME320072
-
C00019
-
399.145066
Thiamine pyrophosphate
Thiamine diphosphate
ME320101
-
C00068
-
425.044974
Glutathione Disulfide
Oxidized glutathione
ME320085
-
C00127
-
613.159793
Alanine
Alanine
ME320073
-
C00041
-
90.055504
Sarcosine
Sarcosine
ME320099
-
C00213
-
90.055504
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Aminobutyric Acid
Aminobutyric acid
ME320112
-
C00334
-
104.071154
Dimethyl Glycine
Dimethylglycine
ME320124
-
C01026
-
104.071154
Serine
Serine
ME320144
-
C00065
-
106.050419
Hypotaurine
Hypotaurine
ME320133
-
C00519
-
110.027576
Valine
Valine
ME320149
-
C00183
-
118.086804
Homoserine
Homoserine
ME320131
-
C00263
-
120.066069
Threonine
Threonine
ME320145
-
C00188
-
120.066069
Picolinic Acid
Picolinic acid
ME320142
-
C10164
-
124.039854
Vitamin B3
Nicotinic acid
ME320150
-
C00253
-
124.039854
trans Hydroxyl proline
cis-3-Hydroxyproline
ME320146
-
C01157
-
132.066069
Creatine
Creatine
ME320119
-
cpd:C00300
-
132.077302
Isoleucine
Isoleucine
ME320134
-
C00407
-
132.102454
Leucine
Leucine
ME320135
-
C00123
-
132.102454
Asparagine
Asparagine
ME320114
-
C00152
-
133.061318
Ornithine
Ornithine
ME320141
-
C00077
-
133.097703
Aspartic acid
Aspartic acid
ME320115
-
C00049
-
134.045334
Adenosine
Adenosine
ME320108
-
C00147
-
136.06232
Trigonelline
Trigonelline
ME320147
-
C01004
-
138.055503
N-methyltaurine
N-Methyltaurine
ME320140
-
-
-
140.038141
Lysine
Lysine
ME320136
-
C00047
-
147.113353
Methionine
Methionine
ME320137
-
C00073
-
150.058876
Guanine
Guanine
ME320128
-
C00242
-
152.057235
Histidine
Histidine
ME320130
-
C00135
-
156.077302
Hydroxyectoine
Hydroxyectoine
ME320132
-
C16432
-
159.076968
Carnitine
Carnitine
ME320116
-
C00487
-
162.113019
Methionine Sulfoxide
Methionine sulfoxide
ME320138
-
C02989
-
166.053791
Citrulline
Citrulline
ME320118
-
C00327
-
176.103517
Tyrosine
Tyrosine
ME320148
-
C00082
-
182.081719
N-Acetyl-Lysine
N(2)-Acetyllysine
ME320139
-
C02727
-
189.123918
Cystathionine
Cystathionine
ME320121
-
cpd:C02291
-
223.075255
Cystine
Cystine
ME320122
-
C00491
-
241.031677
Cytidine
Cytidine
ME320123
-
cpd:C00475
-
242.077697
Glucosylglycerol
Glucosylglycerol
ME320125
-
C11546
-
255.107995
Guanosine
Guanosine
ME320129
-
C00387
-
284.099495
Argininosuccinic Acid
Argininosuccinic acid
ME320113
-
C03406
-
291.13046
Glutathione
Glutathione
ME320126
-
C00051
-
308.091634
Cys-Gly oxidized
Cys-Gly
ME320120
-
-
-
355.074605
Adenosyl Homocysteine
S-Adenosylhomocysteine
ME320109
-
C00021
-
385.129416
Adenosyl Methionine
S-Adenosylmethionine
ME320110
-
C00019
-
399.145066
Chitobiose
N,N'-Diacetylchitobiose
ME320117
-
cpd:C01674
-
425.177138
Glutathione Disulfide
Oxidized glutathione
ME320127
-
C00127
-
613.159793
Alanine
Alanine
ME320111
-
C00041
-
90.055504
Sarcosine
Sarcosine
ME320143
-
C00213
-
90.055504
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Fumaric Acid
Fumaric acid
ME320158
-
C00122
-
115.003135
Taurine
Taurine
ME320169
-
C00245
-
124.006841
Isethionic Acid
2-Hydroxyethanesulfonate
ME320161
-
C05123
-
124.990857
Malic Acid
Malic acid
ME320163
-
C00149
-
133.0137
Ketoglutaric Acid
2-Oxoglutaric acid
ME320162
-
C00026
-
145.0137
PEP
Phosphoenolpyruvic acid
ME320166
-
C00074
-
166.974553
Cysteic Acid
Cysteic acid
ME320155
-
C00506
-
167.996671
Sulfolactic acid
Sulfolactic acid
ME320168
-
C16069
-
168.980687
Aconitic Acid
cis-Aconitic acid
ME320151
-
C00417
-
173.008615
Citric Acid
Citric acid
ME320154
-
C00158
-
191.01918
Uridine
Uridine
ME320172
-
C00299
-
243.061713
Fructose 6 phosphate
Fructose 6-phosphate
ME320157
-
C00085
-
259.021897
Glucose 6 phosphate
Glucose 6-phosphate
ME320159
-
C00092
-
259.021897
Sucrose
Sucrose
ME320167
-
C00089
-
341.10839
AMP
AMP
ME320153
-
C00020
-
346.055262
GMP
GMP
ME320160
-
C00144
-
362.050178
ADP
ADP
ME320152
-
C00008
-
426.021596
UDP-glucose
UDP-glucose
ME320171
-
C00029
-
565.047204
UDP-glucosamine
UDP-glucosamine
ME320170
-
C00043
-
606.073753
NAD
NAD+
ME320164
-
C00003
-
662.101304
NADP
NADP+
ME320165
-
C00006
-
742.067637
FAD
FAD
ME320156
-
C00016
-
784.149317
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Fumaric Acid
Fumaric acid
ME320180
-
C00122
-
115.003135
Succinic Acid
Succinic acid
ME320193
-
C00042
-
117.018785
Taurine
Taurine
ME320196
-
C00245
-
124.006841
Isethionic Acid
2-Hydroxyethanesulfonate
ME320186
-
C05123
-
124.990857
Thymine
Thymine
ME320197
-
C00178
-
127.050753
Malic Acid
Malic acid
ME320188
-
C00149
-
133.0137
Methyl 3-methylthiopropionate
-
ME320189
-
-
-
133.032327
Ketoglutaric Acid
2-Oxoglutaric acid
ME320187
-
C00026
-
145.0137
Cysteic Acid
Cysteic acid
ME320177
-
C00506
-
167.996671
Sulfolactic acid
Sulfolactic acid
ME320195
-
C16069
-
168.980687
glycerol 3 phosphate
sn-Glycero-3-phosphate
ME320184
-
C00093
-
171.005853
Aconitic Acid
cis-Aconitic acid
ME320173
-
C00417
-
173.008615
Shikimic Acid
Shikimic acid
ME320192
-
C00493
-
173.045
Citric Acid
Citric acid
ME320176
-
C00158
-
191.01918
Gluconic Acid
Gluconic acid
ME320181
-
C00257
-
195.05048
Ribose 5 phosphate
Ribose 5-phosphate
ME320191
-
C00117
-
229.011333
Uridine
Uridine
ME320201
-
C00299
-
243.061713
Fructose 6 phosphate
Fructose 6-phosphate
ME320179
-
C00085
-
259.021897
Glucose 1 phosphate
Glucose 1-phosphate
ME320182
-
C00103
-
259.021897
Glucose 6 phosphate
Glucose 6-phosphate
ME320183
-
C00092
-
259.021897
Sucrose
Sucrose
ME320194
-
C00089
-
341.10839
Trehalose
Trehalose
ME320198
-
C01083
-
341.10839
cGMP
3',5' cyclic GMP
ME320175
-
C00942
-
344.039613
AMP
AMP
ME320174
-
C00020
-
346.055262
GMP
GMP
ME320185
-
C00144
-
362.050178
Riboflavin Monophosphate
FMN
ME320190
-
C00061
-
455.096794
UDP-glucose
UDP-glucose
ME320200
-
C00029
-
565.047204
UDP-glucosamine
UDP-glucosamine
ME320199
-
C00043
-
606.073753
FAD
FAD
ME320178
-
C00016
-
784.149317
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Proline
Proline
ME320207
-
C00148
-
116.071154
Betaine
Betaine
ME320203
-
C00719
-
118.086804
DMSP
S,S-Dimethyl-beta-propiothetin
ME320204
-
C04022
-
135.047977
Glutamine
Glutamine
ME320206
-
C00064
-
147.076968
Glutamic acid
Glutamic acid
ME320205
-
C00025
-
148.060984
Arginine
Arginine
ME320202
-
C00062
-
175.119501
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Choline
Choline
ME320210
-
C00114
-
104.107539
Proline
Proline
ME320215
-
C00148
-
116.071154
Betaine
Betaine
ME320209
-
C00719
-
118.086804
DMSP
S,S-Dimethyl-beta-propiothetin
ME320211
-
C04022
-
135.047977
Homarine
Homarine
ME320214
-
-
-
138.055503
Stachydrine hydrochloride
Stachydrine
ME320216
-
C10172
-
144.102454
Glutamine
Glutamine
ME320213
-
C00064
-
147.076968
Glutamic acid
Glutamic acid
ME320212
-
C00025
-
148.060984
Arginine
Arginine
ME320208
-
C00062
-
175.119501
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
DHPS
(2R)-3-sulfopropanediol
ME320217
-
C19675
-
155.001422
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
DHPS
(2R)-3-sulfopropanediol
ME320218
-
C19675
-
155.001422
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Phenylacetic Acid
Phenylacetic acid
ME320227
-
C07086
-
137.060254
Aminobenzoic Acid
Aminobenzoic acid
ME320219
-
C00568
-
138.055503
Xanthine
Xanthine
ME320235
-
C00385
-
153.041251
Phenylalanine
Phenylalanine
ME320228
-
C00079
-
166.086804
Pyridoxal
Pyridoxal
ME320229
-
C00250
-
168.066069
Tryptophan
Tryptophan
ME320233
-
C00078
-
205.097703
Kynurenine
Kynurenine
ME320224
-
C00328
-
209.092618
Pyridoxal Phosphate
Pyridoxal 5'-phosphate
ME320230
-
C00018
-
248.032402
Methylthioadenosine
Methylthioadenosine
ME320226
-
C00170
-
298.097387
Thiamine monophosphate
Thiamine monophosphate
ME320231
-
C01081
-
345.078641
Vitamin B2
Riboflavin
ME320234
-
C00255
-
377.146111
Tocopherol (Vit E)
alpha-Tocopherol
ME320232
-
C02477
-
431.388905
Carotene
beta-Carotene
ME320220
-
C02094
-
536.4382
Hydroxo B12
Hydroxocobalamin
ME320223
-
C08230
-
664.7861
Methyl B12
Methylcobalamin
ME320225
-
C06453
-
672.8011
Cyano B12
Vitamin B12
ME320222
-
C02823
-
678.2894
Coenzyme B12
Vitamin B12
ME320221
-
C00194
-
790.3367
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