MassBank Record: WA001159



 Bromazepam; LC-ESI-Q; MS; POS; 45 V 
Mass Spectrum
Chemical Structure
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ACCESSION: WA001159
RECORD_TITLE: Bromazepam; LC-ESI-Q; MS; POS; 45 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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014i-0149000000-d418ef7d9c18f95e6e87 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 105 8 8 106 24 24 107 8 8 124 24 24 135 8 8 182 176 176 183 24 24 184 39 39 186 31 31 208 8 8 209 302 302 210 55 55 211 8 8 212 12 12 214 8 8 237 16 16 238 24 24 259 8 8 260 12 12 261 106 106 262 16 16 263 98 98 264 12 12 288 204 204 289 27 27 290 212 212 291 24 24 316 979 979 317 94 94 318 999 999 319 137 137 320 8 8 338 39 39 340 47 47 //

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