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Name
Formula / Structure
ExactMass
ID
Phenylalanine
1 spectrum
C9H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
165.07898
LC-ESI-IT; MS2; m/z: 166.1; [M+H]+
MSBNK-Metabolon-MT000018
Phosphocreatine
3 spectra
C4H10N3O5P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
211.03581
LC-ESI-IT; MS2; m/z: 212; [M+H]+
MSBNK-Keio_Univ-KO009218
LC-ESI-IT; MS3; m/z: 212/114; [M+H]+
MSBNK-Keio_Univ-KO009220
LC-ESI-IT; MS3; m/z: 212/194; [M+H]+
MSBNK-Keio_Univ-KO009219
Phosphoramidon
1 spectrum
C23H34N3O10P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
543.19818
LC-ESI-IT; MS2; m/z: 544; [M+H]+
MSBNK-Keio_Univ-KO009148
Piperine
1 spectrum
C17H19NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
285.13651
LC-ESI-IT; MS2; m/z: 286.2; [M+H]+
MSBNK-Metabolon-MT000119
Pirimicarb
6 spectra
C11H18N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
238.14297
LC-ESI-IT; MS2; m/z: 239; [M+H]+
MSBNK-Keio_Univ-KO009151
LC-ESI-IT; MS3; m/z: 239/166; [M+H]+
MSBNK-Keio_Univ-KO009154
LC-ESI-IT; MS3; m/z: 239/182; [M+H]+
MSBNK-Keio_Univ-KO009153
LC-ESI-IT; MS3; m/z: 239/195; [M+H]+
MSBNK-Keio_Univ-KO009152
LC-ESI-IT; MS4; m/z: 239/182/137; [M+H]+
MSBNK-Keio_Univ-KO009156
LC-ESI-IT; MS4; m/z: 239/195/150; [M+H]+
MSBNK-Keio_Univ-KO009155
Piroxicam
2 spectra
C15H13N3O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
331.06268
LC-ESI-IT; MS2; m/z: 332; [M+H]+
MSBNK-Keio_Univ-KO009199
LC-ESI-IT; MS3; m/z: 332/164; [M+H]+
MSBNK-Keio_Univ-KO009200
Prazosin
6 spectra
C19H21N5O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
383.15936
LC-ESI-IT; MS2; m/z: 384; [M+H]+
MSBNK-Keio_Univ-KO009165
LC-ESI-IT; MS3; m/z: 384/231; [M+H]+
MSBNK-Keio_Univ-KO009170
LC-ESI-IT; MS3; m/z: 384/247; [M+H]+
MSBNK-Keio_Univ-KO009169
LC-ESI-IT; MS3; m/z: 384/316; [M+H]+
MSBNK-Keio_Univ-KO009168
LC-ESI-IT; MS3; m/z: 384/341; [M+H]+
MSBNK-Keio_Univ-KO009167
LC-ESI-IT; MS3; m/z: 384/366; [M+H]+
MSBNK-Keio_Univ-KO009166
Procaine
4 spectra
C13H20N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
236.15248
LC-ESI-IT; MS2; m/z: 237; [M+H]+
MSBNK-Keio_Univ-KO009161
LC-ESI-IT; MS3; m/z: 237/100; [M+H]+
MSBNK-Keio_Univ-KO009164
LC-ESI-IT; MS3; m/z: 237/120; [M+H]+
MSBNK-Keio_Univ-KO009163
LC-ESI-IT; MS3; m/z: 237/164; [M+H]+
MSBNK-Keio_Univ-KO009162
Proline
1 spectrum
C5H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
115.06333
LC-ESI-IT; MS2; m/z: 116.1; [M+H]+
MSBNK-Metabolon-MT000067
Propiconazole
3 spectra
C15H17Cl2N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
341.06979
LC-ESI-IT; MS2; m/z: 342; [M+H]+
MSBNK-Keio_Univ-KO009255
LC-ESI-IT; MS3; m/z: 342/205; [M+H]+
MSBNK-Keio_Univ-KO009257
LC-ESI-IT; MS3; m/z: 342/273; [M+H]+
MSBNK-Keio_Univ-KO009256
Propranolol
5 spectra
C16H21NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
259.15723
LC-ESI-IT; MS2; m/z: 260; [M+H]+
MSBNK-Keio_Univ-KO009171
LC-ESI-IT; MS3; m/z: 260/116; [M+H]+
MSBNK-Keio_Univ-KO009175
LC-ESI-IT; MS3; m/z: 260/157; [M+H]+
MSBNK-Keio_Univ-KO009174
LC-ESI-IT; MS3; m/z: 260/183; [M+H]+
MSBNK-Keio_Univ-KO009173
LC-ESI-IT; MS3; m/z: 260/218; [M+H]+
MSBNK-Keio_Univ-KO009172
Protopine
9 spectra
C20H19NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
353.12631
LC-ESI-IT; MS2; m/z: 354; [M+H]+
MSBNK-Keio_Univ-KO009201
LC-ESI-IT; MS3; m/z: 354/149; [M+H]+
MSBNK-Keio_Univ-KO009207
LC-ESI-IT; MS3; m/z: 354/188; [M+H]+
MSBNK-Keio_Univ-KO009206
LC-ESI-IT; MS3; m/z: 354/189; [M+H]+
MSBNK-Keio_Univ-KO009205
LC-ESI-IT; MS3; m/z: 354/206; [M+H]+
MSBNK-Keio_Univ-KO009204
LC-ESI-IT; MS3; m/z: 354/247; [M+H]+
MSBNK-Keio_Univ-KO009203
LC-ESI-IT; MS3; m/z: 354/275; [M+H]+
MSBNK-Keio_Univ-KO009202
LC-ESI-IT; MS4; m/z: 354/149/119; [M+H]+
MSBNK-Keio_Univ-KO009209
LC-ESI-IT; MS4; m/z: 354/247/217; [M+H]+
MSBNK-Keio_Univ-KO009208
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
Psychosine
4 spectra
C24H47NO7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
461.33524
LC-ESI-IT; MS2; m/z: 462; [M+H]+
MSBNK-Keio_Univ-KO009195
LC-ESI-IT; MS3; m/z: 462/247; [M+H]+
MSBNK-Keio_Univ-KO009198
LC-ESI-IT; MS3; m/z: 462/282; [M+H]+
MSBNK-Keio_Univ-KO009197
LC-ESI-IT; MS3; m/z: 462/444; [M+H]+
MSBNK-Keio_Univ-KO009196
Purine riboside
2 spectra
C10H12N4O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
252.08585
LC-ESI-IT; MS2; m/z: 253; [M+H]+
MSBNK-Keio_Univ-KO009216
LC-ESI-IT; MS3; m/z: 253/121; [M+H]+
MSBNK-Keio_Univ-KO009217
Puromycin
3 spectra
C22H29N7O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
471.22302
LC-ESI-IT; MS2; m/z: 472; [M+H]+
MSBNK-Keio_Univ-KO009213
LC-ESI-IT; MS3; m/z: 472/150; [M+H]+
MSBNK-Keio_Univ-KO009215
LC-ESI-IT; MS3; m/z: 472/309; [M+H]+
MSBNK-Keio_Univ-KO009214
Pyridoxamine 5'-phosphate
5 spectra
C8H13N2O5P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
248.05621
LC-ESI-IT; MS2; m/z: 249; [M+H]+
MSBNK-Keio_Univ-KO009143
LC-ESI-IT; MS3; m/z: 249/134; [M+H]+
MSBNK-Keio_Univ-KO009146
LC-ESI-IT; MS3; m/z: 249/151; [M+H]+
MSBNK-Keio_Univ-KO009145
LC-ESI-IT; MS3; m/z: 249/232; [M+H]+
MSBNK-Keio_Univ-KO009144
LC-ESI-IT; MS4; m/z: 249/134/106; [M+H]+
MSBNK-Keio_Univ-KO009147
Ranitidine
8 spectra
C13H22N4O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
314.14127
LC-ESI-IT; MS2; m/z: 315; [M+H]+
MSBNK-Keio_Univ-KO009222
LC-ESI-IT; MS3; m/z: 315/124; [M+H]+
MSBNK-Keio_Univ-KO009226
LC-ESI-IT; MS3; m/z: 315/176; [M+H]+
MSBNK-Keio_Univ-KO009225
LC-ESI-IT; MS3; m/z: 315/224; [M+H]+
MSBNK-Keio_Univ-KO009224
LC-ESI-IT; MS3; m/z: 315/270; [M+H]+
MSBNK-Keio_Univ-KO009223
LC-ESI-IT; MS4; m/z: 315/176/130; [M+H]+
MSBNK-Keio_Univ-KO009229
LC-ESI-IT; MS4; m/z: 315/224/181; [M+H]+
MSBNK-Keio_Univ-KO009228
LC-ESI-IT; MS4; m/z: 315/224/191; [M+H]+
MSBNK-Keio_Univ-KO009227
Ribostamycin
1 spectrum
C17H34N4O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
454.22748
LC-ESI-IT; MS2; m/z: 455; [M+H]+
MSBNK-Keio_Univ-KO009221
S-Adenosylmethionine
2 spectra
[C15H23N6O5S]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
399.14505
LC-ESI-IT; MS2; m/z: 399; [M+H]+
MSBNK-Keio_Univ-KO008827
LC-ESI-IT; MS3; m/z: 399/250; [M+H]+
MSBNK-Keio_Univ-KO008828
S-Lactoylglutathione
7 spectra
C13H21N3O8S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
379.10495
LC-ESI-IT; MS2; m/z: 380; [M+H]+
MSBNK-Keio_Univ-KO009024
LC-ESI-IT; MS3; m/z: 380/233; [M+H]+
MSBNK-Keio_Univ-KO009026
LC-ESI-IT; MS3; m/z: 380/251; [M+H]+
MSBNK-Keio_Univ-KO009025
LC-ESI-IT; MS4; m/z: 380/233/130; [M+H]+
MSBNK-Keio_Univ-KO009030
LC-ESI-IT; MS4; m/z: 380/233/169; [M+H]+
MSBNK-Keio_Univ-KO009029
LC-ESI-IT; MS4; m/z: 380/233/187; [M+H]+
MSBNK-Keio_Univ-KO009028
LC-ESI-IT; MS4; m/z: 380/233/215; [M+H]+
MSBNK-Keio_Univ-KO009027
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
Sanguinarine
5 spectra
[C20H14NO4]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
332.09229
LC-ESI-IT; MS2; m/z: 332; [M+H]+
MSBNK-Keio_Univ-KO009237
LC-ESI-IT; MS3; m/z: 332/246; [M+H]+
MSBNK-Keio_Univ-KO009241
LC-ESI-IT; MS3; m/z: 332/274; [M+H]+
MSBNK-Keio_Univ-KO009240
LC-ESI-IT; MS3; m/z: 332/304; [M+H]+
MSBNK-Keio_Univ-KO009239
LC-ESI-IT; MS3; m/z: 332/317; [M+H]+
MSBNK-Keio_Univ-KO009238
Scopolamine
4 spectra
C17H21NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
303.14706
LC-ESI-IT; MS2; m/z: 304; [M+H]+
MSBNK-Keio_Univ-KO009233
LC-ESI-IT; MS3; m/z: 304/110; [M+H]+
MSBNK-Keio_Univ-KO009236
LC-ESI-IT; MS3; m/z: 304/138; [M+H]+
MSBNK-Keio_Univ-KO009235
LC-ESI-IT; MS3; m/z: 304/156; [M+H]+
MSBNK-Keio_Univ-KO009234
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
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