MassBank Record: WA001158

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Bromazepam; LC-ESI-Q; MS; POS; 60 V
Mass Spectrum
Chemical Structure
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ACCESSION: WA001158
RECORD_TITLE: Bromazepam; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (2007.08.01, 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Bromazepam CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H10BrN3O CH$EXACT_MASS: 315.00072 CH$SMILES: O=C(C2)Nc(c3)c(cc(Br)c3)C(=N2)c(c1)nccc1 CH$IUPAC: InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19) CH$LINK: CAS 1812-30-2 CH$LINK: INCHIKEY VMIYHDSEFNYJSL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40171081
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: RETENTION_TIME 14.000 min AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-053r-0692000000-fba21b7ea3372d69cc7b PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 105 47 47 106 35 35 107 27 27 119 20 20 124 35 35 131 12 12 133 31 31 135 12 12 181 20 20 182 999 999 183 118 118 184 145 145 186 133 133 187 8 8 192 12 12 193 12 12 194 8 8 208 153 153 209 819 819 210 137 137 211 20 20 212 16 16 214 12 12 236 12 12 237 20 20 238 8 8 259 27 27 260 82 82 261 243 243 262 98 98 263 192 192 264 16 16 271 8 8 273 8 8 287 8 8 288 145 145 289 24 24 290 157 157 291 20 20 316 204 204 317 24 24 318 215 215 319 24 24 338 27 27 340 24 24 //