MassBank Record: WA001875



 Topiramate; LC-ESI-Q; MS; POS; 30 V 
Mass Spectrum
Chemical Structure
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ACCESSION: WA001875
RECORD_TITLE: Topiramate; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.05.21)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Topiramate CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H21NO8S CH$EXACT_MASS: 339.09879 CH$SMILES: NS(=O)(=O)OCC(O2)(O3)C([H])(OC(C)(C)3)C([H])(O1)C([H])(C2)OC(C)(C)1 CH$IUPAC: InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1 CH$LINK: CAS 97240-79-4
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 14.320 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03di-0295000000-3acfeaefb9a826717b7a PK$ANNOTATION: m/z type 340 [M+H]+ 362 [M+Na]+ 378 [M+K]+ PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 106 24 24 122 16 16 123 12 12 127 90 90 138 12 12 167 39 39 184 180 180 185 188 188 206 24 24 224 121 121 225 16 16 242 59 59 264 999 999 265 125 125 266 55 55 267 12 12 282 376 376 283 39 39 284 12 12 305 31 31 322 121 121 323 16 16 340 215 215 341 20 20 342 12 12 357 282 282 358 35 35 362 188 188 378 223 223 379 16 16 380 27 27 //