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Metabolon
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149 Hit.
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Name
Formula / Structure
ExactMass
ID
Acetylcarnitine
1 spectrum
[C9H18NO4]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
204.12358
LC-ESI-IT; MS2; m/z: 204.2; [M]+
MSBNK-Metabolon-MT000036
ADpSGEGDFXAEGGGVR
1 spectrum
C63H98N19O29P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1615.65149
LC-ESI-IT; MS2; m/z: 809.0; [M+2H]2+
MSBNK-Metabolon-MT000091
ADSGEGDFXAEGGGVR
1 spectrum
C63H97N19O26
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1535.68518
LC-ESI-IT; MS2; m/z: 769.0; [M+2H]2+
MSBNK-Metabolon-MT000043
alpha-Hydroxyisovaleric acid
1 spectrum
C5H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
118.06299
LC-ESI-IT; MS2; m/z: 117.1; [M-H]-
MSBNK-Metabolon-MT000081
Arachidonic acid
1 spectrum
C20H32O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
304.24023
LC-ESI-IT; MS2; m/z: 303.4; [M-H]-
MSBNK-Metabolon-MT000113
Arginine
1 spectrum
C6H14N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.11168
LC-ESI-IT; MS2; m/z: 175.2; [M+H]+
MSBNK-Metabolon-MT000042
Aspartylphenylalanine
1 spectrum
C13H16N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
280.10593
LC-ESI-IT; MS2; m/z: 281.1; [M+H]+
MSBNK-Metabolon-MT000139
Betaine
1 spectrum
C5H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
117.07898
LC-ESI-IT; MS2; m/z: 118.2; [M+H]+
MSBNK-Metabolon-MT000002
Bilirubin
1 spectrum
C33H36N4O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
584.26349
LC-ESI-IT; MS2; m/z: 583.2; [M-H]-
MSBNK-Metabolon-MT000136
Biliverdin
1 spectrum
C33H34N4O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
582.24780
LC-ESI-IT; MS2; m/z: 583.3; [M+H]+
MSBNK-Metabolon-MT000045
Butyrylcarnitine
1 spectrum
[C11H22NO4]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
232.15488
LC-ESI-IT; MS2; m/z: 232.2; [M]+
MSBNK-Metabolon-MT000060
Caffeine
1 spectrum
C8H10N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
194.08038
LC-ESI-IT; MS2; m/z: 195.1; [M+H]+
MSBNK-Metabolon-MT000087
Carnitine
1 spectrum
C7H15NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
161.10519
LC-ESI-IT; MS2; m/z: 162.2; [M+H]+
MSBNK-Metabolon-MT000082
Chenodeoxycholic acid
1 spectrum
C24H40O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
392.29266
LC-ESI-IT; MS2; m/z: 391.4; [M-H]-
MSBNK-Metabolon-MT000031
Cholic acid
1 spectrum
C24H40O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
408.28757
LC-ESI-IT; MS2; m/z: 407.4; [M-H]-
MSBNK-Metabolon-MT000010
Choline
1 spectrum
[C5H14NO]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
104.10754
LC-ESI-IT; MS2; m/z: 104.2; [M]+
MSBNK-Metabolon-MT000030
cis-Aconitic acid
1 spectrum
C6H6O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.01643
LC-ESI-IT; MS2; m/z: 192.0; [M+NH4]+
MSBNK-Metabolon-MT000021
Citramalic acid
1 spectrum
C5H8O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
148.03717
LC-ESI-IT; MS2; m/z: 147.1; [M-H]-
MSBNK-Metabolon-MT000024
Citric acid
1 spectrum
C6H8O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.02699
LC-ESI-IT; MS2; m/z: 191.1; [M-H]-
MSBNK-Metabolon-MT000044
Citrulline
1 spectrum
C6H13N3O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
175.09569
LC-ESI-IT; MS2; m/z: 176.1; [M+H]+
MSBNK-Metabolon-MT000038
Cortisol
1 spectrum
C21H30O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
362.20932
LC-ESI-IT; MS2; m/z: 361.0; [M-H]-
MSBNK-Metabolon-MT000028
Cotinine
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-MT000019
Creatine
1 spectrum
C4H9N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.06947
LC-ESI-IT; MS2; m/z: 132.1; [M+H]+
MSBNK-Metabolon-MT000092
Creatinine
1 spectrum
C4H7N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
113.05891
LC-ESI-IT; MS2; m/z: 227.0; [2M+H]+
MSBNK-Metabolon-MT000127
D-(+)-Pantothenic acid
1 spectrum
C9H17NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
219.11067
LC-ESI-IT; MS2; m/z: 218.2; [M-H]-
MSBNK-Metabolon-MT000131
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