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LC-ESI-IT
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664 Hit.
( 410 - 466 Displayed )
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Name
Formula / Structure
ExactMass
ID
Nalidixic acid
2 spectra
C12H12N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
232.08479
LC-ESI-IT; MS2; m/z: 233; [M+H]+
MSBNK-Keio_Univ-KO009130
LC-ESI-IT; MS3; m/z: 233/205; [M+H]+
MSBNK-Keio_Univ-KO009131
Naproxen
2 spectra
C14H14O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
230.09428
LC-ESI-IT; MS2; m/z: 231; [M+H]+
MSBNK-Keio_Univ-KO009075
LC-ESI-IT; MS3; m/z: 231/185; [M+H]+
MSBNK-Keio_Univ-KO009076
Neostigmine
4 spectra
[C12H19N2O2]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
223.14465
LC-ESI-IT; MS2; m/z: 223; [M+H]+
MSBNK-Keio_Univ-KO009126
LC-ESI-IT; MS3; m/z: 223/208; [M+H]+
MSBNK-Keio_Univ-KO009127
LC-ESI-IT; MS4; m/z: 223/208/135; [M+H]+
MSBNK-Keio_Univ-KO009129
LC-ESI-IT; MS4; m/z: 223/208/164; [M+H]+
MSBNK-Keio_Univ-KO009128
O-Acetylcarnitine
3 spectra
[C9H18NO4]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
204.12358
LC-ESI-IT; MS2; m/z: 204; [M+H]+
MSBNK-Keio_Univ-KO009087
LC-ESI-IT; MS3; m/z: 204/145; [M+H]+
MSBNK-Keio_Univ-KO009088
LC-ESI-IT; MS3; m/z: 204/85; [M+H]+
MSBNK-Keio_Univ-KO009089
Octanoic acid
1 spectrum
C8H16O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
144.11504
LC-ESI-IT; MS2; m/z: 143.2; [M-H]-
MSBNK-Metabolon-MT000140
Octanoylcarnitine
1 spectrum
[C15H30NO4]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
288.21747
LC-ESI-IT; MS2; m/z: 288.3; [M]+
MSBNK-Metabolon-MT000098
Octopine
5 spectra
C9H18N4O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
246.13281
LC-ESI-IT; MS2; m/z: 247; [M+H]+
MSBNK-Keio_Univ-KO009138
LC-ESI-IT; MS3; m/z: 247/130; [M+H]+
MSBNK-Keio_Univ-KO009142
LC-ESI-IT; MS3; m/z: 247/142; [M+H]+
MSBNK-Keio_Univ-KO009141
LC-ESI-IT; MS3; m/z: 247/175; [M+H]+
MSBNK-Keio_Univ-KO009140
LC-ESI-IT; MS3; m/z: 247/188; [M+H]+
MSBNK-Keio_Univ-KO009139
Oleandomycin
2 spectra
C35H61NO12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
687.41937
LC-ESI-IT; MS2; m/z: 688; [M+H]+
MSBNK-Keio_Univ-KO009136
LC-ESI-IT; MS3; m/z: 688/544; [M+H]+
MSBNK-Keio_Univ-KO009137
Oleic acid
1 spectrum
C18H34O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
282.25589
LC-ESI-IT; MS2; m/z: 281.3; [M-H]-
MSBNK-Metabolon-MT000029
Orotidine 5'-monophosphate
4 spectra
C10H13N2O11P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
368.02570
LC-ESI-IT; MS2; m/z: 369; [M+H]+
MSBNK-Keio_Univ-KO009132
LC-ESI-IT; MS3; m/z: 369/213; [M+H]+
MSBNK-Keio_Univ-KO009135
LC-ESI-IT; MS3; m/z: 369/309; [M+H]+
MSBNK-Keio_Univ-KO009134
LC-ESI-IT; MS3; m/z: 369/327; [M+H]+
MSBNK-Keio_Univ-KO009133
p-Acetamidophenylglucuronide
1 spectrum
C14H17NO8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
327.09543
LC-ESI-IT; MS2; m/z: 345.0; [M+NH4]+
MSBNK-Metabolon-MT000138
p-Cresol sulfate
1 spectrum
C7H8O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
188.01433
LC-ESI-IT; MS2; m/z: 187.1; [M-H]-
MSBNK-Metabolon-MT000146
Palmatine
3 spectra
[C21H22NO4]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
352.15488
LC-ESI-IT; MS2; m/z: 352; [M+H]+
MSBNK-Keio_Univ-KO009210
LC-ESI-IT; MS3; m/z: 352/308; [M+H]+
MSBNK-Keio_Univ-KO009212
LC-ESI-IT; MS3; m/z: 352/337; [M+H]+
MSBNK-Keio_Univ-KO009211
Palmitic acid
1 spectrum
C16H32O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
256.24023
LC-ESI-IT; MS2; m/z: 255.3; [M-H]-
MSBNK-Metabolon-MT000023
Palmitoleic acid
1 spectrum
C16H30O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.22458
LC-ESI-IT; MS2; m/z: 253.3; [M-H]-
MSBNK-Metabolon-MT000064
Palmitoylcarnitine
1 spectrum
[C23H46NO4]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
400.34268
LC-ESI-IT; MS2; m/z: 400.4; [M]+
MSBNK-Metabolon-MT000124
ParaXanthine
1 spectrum
C7H8N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.06473
LC-ESI-IT; MS2; m/z: 181.2; [M+H]+
MSBNK-Metabolon-MT000013
Pelargonic acid
1 spectrum
C9H18O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
158.13068
LC-ESI-IT; MS2; m/z: 157.2; [M-H]-
MSBNK-Metabolon-MT000076
Penciclovir
2 spectra
C10H15N5O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
253.11749
LC-ESI-IT; MS2; m/z: 254; [M+H]+
MSBNK-Keio_Univ-KO009149
LC-ESI-IT; MS3; m/z: 254/152; [M+H]+
MSBNK-Keio_Univ-KO009150
Pendimethalin
4 spectra
C13H19N3O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
281.13757
LC-ESI-IT; MS2; m/z: 282; [M+H]+
MSBNK-Keio_Univ-KO009157
LC-ESI-IT; MS3; m/z: 282/212; [M+H]+
MSBNK-Keio_Univ-KO009158
LC-ESI-IT; MS4; m/z: 282/212/118; [M+H]+
MSBNK-Keio_Univ-KO009160
LC-ESI-IT; MS4; m/z: 282/212/194; [M+H]+
MSBNK-Keio_Univ-KO009159
Pentamidine
3 spectra
C19H24N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
340.18994
LC-ESI-IT; MS2; m/z: 341; [M+H]+
MSBNK-Keio_Univ-KO009179
LC-ESI-IT; MS3; m/z: 341/324; [M+H]+
MSBNK-Keio_Univ-KO009180
LC-ESI-IT; MS4; m/z: 341/324/188; [M+H]+
MSBNK-Keio_Univ-KO009181
Pentanoic acid
1 spectrum
C5H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
102.06808
LC-ESI-IT; MS2; m/z: 101.2; [M-H]-
MSBNK-Metabolon-MT000004
Phenazopyridine
8 spectra
C11H11N5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
213.10146
LC-ESI-IT; MS2; m/z: 214; [M+H]+
MSBNK-Keio_Univ-KO009187
LC-ESI-IT; MS3; m/z: 214/108; [M+H]+
MSBNK-Keio_Univ-KO009192
LC-ESI-IT; MS3; m/z: 214/122; [M+H]+
MSBNK-Keio_Univ-KO009191
LC-ESI-IT; MS3; m/z: 214/141; [M+H]+
MSBNK-Keio_Univ-KO009190
LC-ESI-IT; MS3; m/z: 214/158; [M+H]+
MSBNK-Keio_Univ-KO009189
LC-ESI-IT; MS3; m/z: 214/197; [M+H]+
MSBNK-Keio_Univ-KO009188
LC-ESI-IT; MS3; m/z: 214/77; [M+H]+
MSBNK-Keio_Univ-KO009194
LC-ESI-IT; MS3; m/z: 214/95; [M+H]+
MSBNK-Keio_Univ-KO009193
Phenoxybenzamine
3 spectra
C18H22ClNO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
303.13901
LC-ESI-IT; MS2; m/z: 304; [M+H]+
MSBNK-Keio_Univ-KO009176
LC-ESI-IT; MS3; m/z: 304/120; [M+H]+
MSBNK-Keio_Univ-KO009178
LC-ESI-IT; MS3; m/z: 304/212; [M+H]+
MSBNK-Keio_Univ-KO009177
Phenylacetic acid
1 spectrum
C8H8O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
136.05243
LC-ESI-IT; MS2; m/z: 135.1; [M-H]-
MSBNK-Metabolon-MT000056
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