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Return to study ST001948 main page
Analysis: Normal phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-Hydroxybutyric acid
2-Hydroxybutyric acid
ME449052
129763027
-
-
-
2-Hydroxyglutaric acid
2-Hydroxyglutaric acid
ME449045
43
C02630
-
-
3'-CMP
3'-CMP
ME449056
66535
C00475
-
-
3-Hydroxybutyric acid
3-Hydroxybutyric acid
ME449054
3541112
-
-
-
4-Pyridoxic acid
4-Pyridoxic acid
ME449046
6723
C00847
-
-
Adenine
Adenine
ME449047
190
C00147
-
-
Adipic acid
Adipic acid
ME449050
200164
-
-
-
ADP
ADP
ME449048
6022
C00008
-
-
alpha-Aminoadipic acid
alpha-Aminoadipic acid
ME449044
6992111
-
-
-
AMP
AMP
ME449049
6083
C00020
-
-
Citric acid
Citric acid
ME449055
31348
C00158
-
-
Dihydroxyacetone phosphate
Dihydroxyacetone phosphate
ME449057
668
C00184
-
-
Glycocholic acid
Glycocholic acid
ME449060
10140
C01921
-
-
Hippuric acid
Hippuric acid
ME449063
516953
C01586
-
-
Hypoxanthine
Hypoxanthine
ME449064
790
C00262
-
-
IMP
IMP
ME449069
8582
C00130
-
-
indole_3_propionate
-
ME449065
3292996
-
-
-
Indoleacetic acid
Indoleacetic acid
ME449066
802
C00954
-
-
Indoxyl sulfate
Indoxyl sulfate
ME449067
10258
-
-
-
Inosine
Inosine
ME449068
135398641
C00294
-
-
Kynurenine
Kynurenine
ME449071
846
C01718
-
-
Lactic acid
Lactic acid
ME449072
91435
C01432
-
-
Malic acid
Malic acid
ME449073
160434
C00711
-
-
Myo-inositol
Myo-inositol
ME449070
892
-
-
-
O-Phosphotyrosine
O-Phosphotyrosine
ME449076
30819
C06501
-
-
Oxoglutaric acid
2-Oxoglutaric acid
ME449053
164533
C00026
-
-
Pantothenic acid
Pantothenic acid
ME449074
167945
C00864
-
-
Phosphoenolpyruvic acid
Phosphoenolpyruvic acid
ME449075
1005
-
-
-
Pyruvic acid
Pyruvic acid
ME449077
107735
-
-
-
sn-Glycero-3-phosphate
sn-Glycero-3-phosphate
ME449051
23672316
C03189
-
-
Sorbitol
Sorbitol
ME449078
5780
C00794
-
-
SUM_fructose_glucose_galactose
-
ME449058
-
-
-
-
SUM_fumarate_maleate
-
ME449059
-
-
-
-
SUM_glycodeoxycholate_glycochenodeoxycholate
-
ME449061
-
-
-
-
SUM_hexose_diphosphates
-
ME449062
-
-
-
-
SUM_Taurodeoxycholic acid/Taurochenodeoxycholic ac...
-
ME449080
-
-
-
-
Taurocholic acid
Taurocholic acid
ME449079
23666345
-
-
-
UMP
UMP
ME449083
6030
C00105
-
-
Uric acid
Uric acid
ME449081
1175
C00366
-
-
Uridine
Uridine
ME449082
6029
C00299
-
-
Xanthine
Xanthine
ME449084
1188
C00385
-
-
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
3-Hydroxyanthranilic acid
3-Hydroxyanthranilic acid
ME449085
86
C00632
-
-
5-Hydroxyindoleacetic acid
5-Hydroxyindoleacetic acid
ME449086
1826
C05635
-
-
Acetylcholine
Acetylcholine
ME449087
187
C01996
-
-
Alanine
Alanine
ME449088
5950
C00041
-
-
Allantoin
Allantoin
ME449089
204
C01551
-
-
Arginine
Arginine
ME449091
28782
C00062
-
-
Asparagine
Asparagine
ME449092
6267
C00152
-
-
Aspartic acid
Aspartic acid
ME449093
5960
C00049
-
-
Asymmetric-dimethyl-L-arginine
Dimethylarginine
ME449103
123831
-
-
-
Betaine
Betaine
ME449094
247
C00719
-
-
CAR 10:0
CAR 10:0
ME449146
11953821
-
-
-
CAR 10:1
CAR 10:1
ME449145
71464497
-
-
-
CAR 12:0
CAR 12:0
ME449148
168381
-
-
-
CAR 12:1
CAR 12:1
ME449147
168381
-
-
-
CAR 14:0
CAR 14:0
ME449150
53477791
-
-
-
CAR 14:1
CAR 14:1
ME449149
22833575
-
-
-
CAR 16:0
CAR 16:0
ME449152
11953816
-
-
-
CAR 16:1
CAR 16:1
ME449151
71464547
-
-
-
CAR 16:1;OH
CAR 16:1;OH
ME449153
71464549
-
-
-
CAR 18:1
CAR 18:1
ME449155
6441392
-
-
-
CAR 18:2
CAR 18:2
ME449154
51000598
-
-
-
CAR 2:0
CAR 2:0
ME449136
18230
-
-
-
CAR 3:0
CAR 3:0
ME449137
188824
-
-
-
CAR 4:0
CAR 4:0
ME449138
168379
-
-
-
CAR 6:0;OH
CAR 6:0;OH
ME449140
53481624
-
-
-
CAR 8:0
CAR 8:0
ME449143
70679121
-
-
-
CAR 8:1
CAR 8:1
ME449142
70679121
-
-
-
CAR DC3:0
CAR DC3:0
ME449139
22833583
-
-
-
CAR DC5:0
CAR DC5:0
ME449141
3036008
-
-
-
CAR DC5:0;3Me
CAR DC5:0;3Me
ME449144
128145
-
-
-
Carnitine
Carnitine
ME449095
10917
C00318
-
-
Choline
Choline
ME449096
305
C00114
-
-
Citrulline
Citrulline
ME449098
6992098
C00327
-
-
Creatine
Creatine
ME449099
586
C00300
-
-
Creatinine
Creatinine
ME449100
588
C00791
-
-
Cytidine
Cytidine
ME449101
6175
C00475
-
-
Dimethylglycine
Dimethylglycine
ME449102
673
C01026
-
-
Glucosamine
Glucosamine
ME449104
441477
C08349
-
-
Glutamic acid
Glutamic acid
ME449106
33032
C00025
-
-
Glutamine
Glutamine
ME449107
5961
C00064
-
-
Glycine
Glycine
ME449108
5257127
C00037
-
-
Histidine
Histidine
ME449109
6274
C00135
-
-
Hypoxanthine
Hypoxanthine
ME449110
790
C00262
-
-
IMP
IMP
ME449111
8582
C00130
-
-
Inosine
Inosine
ME449112
135398641
C00294
-
-
Isoleucine
Isoleucine
ME449113
6306
C00407
-
-
Kynurenic acid
Kynurenic acid
ME449114
3845
C01717
-
-
Leucine
Leucine
ME449115
6106
C00123
-
-
Liothyronine
Liothyronine
ME449130
5920
C02465
-
-
Lysine
Lysine
ME449116
5962
C00047
-
-
Methionine
Methionine
ME449117
5255805
C01733
-
-
Nicotinamide
Niacinamide
ME449119
936
C00153
-
-
N-monomethyl-L-arginine
Arginine
ME449120
28782
C00062
-
-
Ornithine
Ornithine
ME449121
6262
C00077
-
-
Phenylalanine
Phenylalanine
ME449122
6140
C00079
-
-
Proline
Proline
ME449123
145742
C00148
-
-
Serine
Serine
ME449124
5951
C00065
-
-
Serotonin
Serotonin
ME449125
5202
C00780
-
-
sn-Glycero-3-phosphocholine
sn-Glycero-3-phosphocholine
ME449090
657272
D07349
-
-
SUM_Monosaccharides
-
ME449105
-
-
-
-
Symmetric dimethyl-L-arginine
Symmetric dimethylarginine
ME449126
17801140
-
-
-
Taurine
Taurine
ME449127
1123
C00245
-
-
Threonine
Threonine
ME449128
6288
C00188
-
-
Thyroxine
Thyroxine
ME449129
25201348
C01829
-
-
trans-4-Hydroxyproline
trans-4-Hydroxyproline
ME449097
5810
C01157
-
-
Tryptophan
Tryptophan
ME449131
6305
C00078
-
-
Tyrosine
Tyrosine
ME449132
6057
C00082
-
-
Uracil
Uracil
ME449133
1174
C00106
-
-
Ureidopropionic acid
Ureidopropionic acid
ME449118
111
C02642
-
-
Valine
Valine
ME449134
6287
C00183
-
-
Xanthosine
Xanthosine
ME449135
64959
C01762
-
-
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
LPC 16:0
LPC 16:0
ME449160
460602
-
-
-
LPC 18:2
LPC 18:2
ME449161
11005824
-
-
-
LPC 20:4
LPC 20:4
ME449162
53480469
-
-
-
LPE 22:6
LPE 22:6
ME449163
52925132
-
-
-
PC 34:3
PC 34:3
ME449157
24778699
-
-
-
PC 34:4
PC 34:4
ME449156
52922891
-
-
-
PC 36:3
PC 36:3
ME449158
52922843
-
-
-
PC 38:6
PC 38:6
ME449159
52923295
-
-
-
SM (d14:0)
SM 14:0;O2
ME449164
11433862
-
-
-
SM (d15:0)
SM 15:0;O2
ME449165
52931139
-
-
-
SM (d16:1)
SM 16:1;O2
ME449166
52931145
-
-
-
SM (d18:0)
SM 18:0;O2
ME449167
6453725
-
-
-
SM (d20:0)
SM 20:0;O2
ME449168
44260124
-
-
-
SM (d22:0)
SM 22:0;O2
ME449170
44260125
-
-
-
SM (d22:1)
SM 22:1;O2
ME449169
-
-
-
-
SM (d24:0)
SM 24:0;O2
ME449172
44260127
-
-
-
SM (d24:1)
SM 24:1;O2
ME449171
-
-
-
-
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