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Metabolon
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149 Hit.
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Name
Formula / Structure
ExactMass
ID
Pseudouridine
1 spectrum
C9H12N2O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
244.06953
LC-ESI-IT; MS2; m/z: 243.1; [M-H]-
MSBNK-Metabolon-MT000069
Saccharin
1 spectrum
C7H5NO3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
182.99901
LC-ESI-IT; MS2; m/z: 182.1; [M-H]-
MSBNK-Metabolon-MT000052
Sebacic acid
1 spectrum
C10H18O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
202.12051
LC-ESI-IT; MS2; m/z: 201.2; [M-H]-
MSBNK-Metabolon-MT000009
Serotonin
1 spectrum
C10H12N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
176.09496
LC-ESI-IT; MS2; m/z: 177.1; [M+H]+
MSBNK-Metabolon-MT000084
sn-Glycero-3-phosphocholine
1 spectrum
[C8H21NO6P]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
258.11066
LC-ESI-IT; MS2; m/z: 258.1; [M]+
MSBNK-Metabolon-MT000125
Stearic acid
1 spectrum
C18H36O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
284.27151
LC-ESI-IT; MS2; m/z: 283.4; [M-H]-
MSBNK-Metabolon-MT000015
Stearidonic acid (18:4(n-3))
1 spectrum
C18H28O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
276.20892
LC-ESI-IT; MS2; m/z: 275.3; [M-H]-
MSBNK-Metabolon-MT000005
Taurochenodeoxycholic acid
1 spectrum
C26H45NO6S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
499.29675
LC-ESI-IT; MS2; m/z: 498.3; [M-H]-
MSBNK-Metabolon-MT000095
Taurocholic acid
1 spectrum
C26H45NO7S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
515.29169
LC-ESI-IT; MS2; m/z: 514.3; [M-H]-
MSBNK-Metabolon-MT000116
Taurodeoxycholic acid
1 spectrum
C26H45NO6S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
499.29675
LC-ESI-IT; MS2; m/z: 498.3; [M-H]-
MSBNK-Metabolon-MT000071
Theophylline
1 spectrum
C7H8N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.06473
LC-ESI-IT; MS2; m/z: 179.1; [M-H]-
MSBNK-Metabolon-MT000080
Threonine
1 spectrum
C4H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
119.05824
LC-ESI-IT; MS2; m/z: 120.1; [M+H]+
MSBNK-Metabolon-MT000105
Threonylphenylalanine
1 spectrum
C13H18N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
266.12665
LC-ESI-IT; MS2; m/z: 265.2; [M-H]-
MSBNK-Metabolon-MT000062
trans-4-Hydroxy-L-proline
1 spectrum
C5H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.05824
LC-ESI-IT; MS2; m/z: 132.1; [M+H]+
MSBNK-Metabolon-MT000035
Tryptophan
1 spectrum
C11H12N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
204.08987
LC-ESI-IT; MS2; m/z: 205.1; [M+H]+
MSBNK-Metabolon-MT000149
Tyrosine
1 spectrum
C9H11NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
181.07388
LC-ESI-IT; MS2; m/z: 182.1; [M+H]+
MSBNK-Metabolon-MT000079
Undecanoic acid
1 spectrum
C11H22O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
186.16199
LC-ESI-IT; MS2; m/z: 185.2; [M-H]-
MSBNK-Metabolon-MT000049
Urea
1 spectrum
CH4N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
60.03236
LC-ESI-IT; MS2; m/z: 121.2; [2M+H]+
MSBNK-Metabolon-MT000006
Uric acid
1 spectrum
C5H4N4O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
168.02834
LC-ESI-IT; MS2; m/z: 169.1; [M+H]+
MSBNK-Metabolon-MT000083
Uridine
1 spectrum
C9H12N2O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
244.06953
LC-ESI-IT; MS2; m/z: 243.1; [M-H]-
MSBNK-Metabolon-MT000120
Urobilinogen
1 spectrum
C33H44N4O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
592.32611
LC-ESI-IT; MS2; m/z: 591.3; [M-H]-
MSBNK-Metabolon-MT000068
Ursodeoxycholic acid
1 spectrum
C24H40O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
392.29266
LC-ESI-IT; MS2; m/z: 391.3; [M-H]-
MSBNK-Metabolon-MT000012
Valine
1 spectrum
C5H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
117.07898
LC-ESI-IT; MS2; m/z: 118.1; [M+H]+
MSBNK-Metabolon-MT000075
Xanthine
1 spectrum
C5H4N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.03343
LC-ESI-IT; MS2; m/z: 153.1; [M+H]+
MSBNK-Metabolon-MT000100
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