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Instrument Type:
LC-ESI-IT
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664 Hit.
( 553 - 613 Displayed )
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Name
Formula / Structure
ExactMass
ID
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
Sisomicin
3 spectra
C19H37N5O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
447.26929
LC-ESI-IT; MS2; m/z: 448; [M+H]+
MSBNK-Keio_Univ-KO009245
LC-ESI-IT; MS3; m/z: 448/322; [M+H]+
MSBNK-Keio_Univ-KO009246
LC-ESI-IT; MS4; m/z: 448/322/205; [M+H]+
MSBNK-Keio_Univ-KO009247
sn-Glycero-3-phosphocholine
3 spectra
[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
LC-ESI-IT; MS2; m/z: 258; [M+H]+
MSBNK-Keio_Univ-KO009112
LC-ESI-IT; MS3; m/z: 258/104; [M+H]+
MSBNK-Keio_Univ-KO009113
Specitinomycin
3 spectra
C14H24N2O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
332.15836
LC-ESI-IT; MS2; m/z: 333; [M+H]+
MSBNK-Keio_Univ-KO009242
LC-ESI-IT; MS3; m/z: 333/140; [M+H]+
MSBNK-Keio_Univ-KO009244
LC-ESI-IT; MS3; m/z: 333/189; [M+H]+
MSBNK-Keio_Univ-KO009243
Spermine
3 spectra
C10H26N4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
202.21574
LC-ESI-IT; MS2; m/z: 203; [M+H]+
MSBNK-Keio_Univ-KO009230
LC-ESI-IT; MS3; m/z: 203/112; [M+H]+
MSBNK-Keio_Univ-KO009232
LC-ESI-IT; MS3; m/z: 203/129; [M+H]+
MSBNK-Keio_Univ-KO009231
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
Sulfathiazole
4 spectra
C9H9N3O2S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
255.01363
LC-ESI-IT; MS2; m/z: 256; [M+H]+
MSBNK-Keio_Univ-KO009251
LC-ESI-IT; MS3; m/z: 256/108; [M+H]+
MSBNK-Keio_Univ-KO009253
LC-ESI-IT; MS3; m/z: 256/156; [M+H]+
MSBNK-Keio_Univ-KO009252
LC-ESI-IT; MS3; m/z: 256/92; [M+H]+
MSBNK-Keio_Univ-KO009254
Sulindac
5 spectra
C20H17FO3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
356.08823
LC-ESI-IT; MS2; m/z: 357; [M+H]+
MSBNK-Keio_Univ-KO009077
LC-ESI-IT; MS3; m/z: 357/248; [M+H]+
MSBNK-Keio_Univ-KO009080
LC-ESI-IT; MS3; m/z: 357/297; [M+H]+
MSBNK-Keio_Univ-KO009079
LC-ESI-IT; MS3; m/z: 357/340; [M+H]+
MSBNK-Keio_Univ-KO009078
LC-ESI-IT; MS4; m/z: 357/297/280; [M+H]+
MSBNK-Keio_Univ-KO009081
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
2 spectra
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
LC-ESI-IT; MS2; m/z: 516; [M+H]+
MSBNK-Keio_Univ-KO009287
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
Terbutaline
5 spectra
C12H19NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
225.13649
LC-ESI-IT; MS2; m/z: 226; [M+H]+
MSBNK-Keio_Univ-KO009267
LC-ESI-IT; MS3; m/z: 226/152; [M+H]+
MSBNK-Keio_Univ-KO009270
LC-ESI-IT; MS3; m/z: 226/170; [M+H]+
MSBNK-Keio_Univ-KO009269
LC-ESI-IT; MS3; m/z: 226/208; [M+H]+
MSBNK-Keio_Univ-KO009268
LC-ESI-IT; MS4; m/z: 226/152/125; [M+H]+
MSBNK-Keio_Univ-KO009271
Tetrahydropalmatine
4 spectra
C21H25NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
355.17838
LC-ESI-IT; MS2; m/z: 356; [M+H]+
MSBNK-Keio_Univ-KO009283
LC-ESI-IT; MS3; m/z: 356/150; [M+H]+
MSBNK-Keio_Univ-KO009286
LC-ESI-IT; MS3; m/z: 356/165; [M+H]+
MSBNK-Keio_Univ-KO009285
LC-ESI-IT; MS3; m/z: 356/192; [M+H]+
MSBNK-Keio_Univ-KO009284
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
Thiabendazole
1 spectrum
C10H7N3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
201.03607
LC-ESI-IT; MS2; m/z: 202; [M+H]+
MSBNK-Keio_Univ-KO009276
Thiamine
3 spectra
[C12H17N4OS]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
265.11230
LC-ESI-IT; MS2; m/z: 265; [M+H]+
MSBNK-Keio_Univ-KO009294
LC-ESI-IT; MS3; m/z: 265/122; [M+H]+
MSBNK-Keio_Univ-KO009296
LC-ESI-IT; MS3; m/z: 265/144; [M+H]+
MSBNK-Keio_Univ-KO009295
Thiamine monophosphate
4 spectra
[C12H18N4O4PS]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
345.07864
LC-ESI-IT; MS2; m/z: 345; [M+H]+
MSBNK-Keio_Univ-KO009297
LC-ESI-IT; MS3; m/z: 345/122; [M+H]+
MSBNK-Keio_Univ-KO009299
LC-ESI-IT; MS3; m/z: 345/224; [M+H]+
MSBNK-Keio_Univ-KO009298
LC-ESI-IT; MS4; m/z: 345/224/126; [M+H]+
MSBNK-Keio_Univ-KO009300
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
Thymidine
4 spectra
C10H14N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
242.09027
LC-ESI-IT; MS2; m/z: 243; [M+H]+
MSBNK-Keio_Univ-KO009272
LC-ESI-IT; MS3; m/z: 243/117; [M+H]+
MSBNK-Keio_Univ-KO009274
LC-ESI-IT; MS3; m/z: 243/127; [M+H]+
MSBNK-Keio_Univ-KO009273
LC-ESI-IT; MS3; m/z: 243/99; [M+H]+
MSBNK-Keio_Univ-KO009275
Timolol
4 spectra
C13H24N4O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
316.15692
LC-ESI-IT; MS2; m/z: 317; [M+H]+
MSBNK-Keio_Univ-KO009303
LC-ESI-IT; MS3; m/z: 317/244; [M+H]+
MSBNK-Keio_Univ-KO009305
LC-ESI-IT; MS3; m/z: 317/261; [M+H]+
MSBNK-Keio_Univ-KO009304
LC-ESI-IT; MS4; m/z: 317/261/188; [M+H]+
MSBNK-Keio_Univ-KO009306
Tioconazole
2 spectra
C16H13Cl3N2OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
385.98141
LC-ESI-IT; MS2; m/z: 387; [M+H]+
MSBNK-Keio_Univ-KO009265
LC-ESI-IT; MS3; m/z: 387/199; [M+H]+
MSBNK-Keio_Univ-KO009266
Tolmetin
2 spectra
C15H15NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
257.10519
LC-ESI-IT; MS2; m/z: 258; [M+H]+
MSBNK-Keio_Univ-KO009288
LC-ESI-IT; MS3; m/z: 258/119; [M+H]+
MSBNK-Keio_Univ-KO009289
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
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