MassBank Record: WA001157

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Bromazepam; LC-ESI-Q; MS; POS; 75 V, 90 V
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Chemical Structure
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ACCESSION: WA001157
RECORD_TITLE: Bromazepam; LC-ESI-Q; MS; POS; 75 V, 90 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 75 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-053r-0950000000-33ebbf2612acebdc53f6 PK$NUM_PEAK: 49 PK$PEAK: m/z int. rel.int. 104 16 16 105 133 133 106 16 16 107 16 16 110 8 8 117 8 8 119 16 16 124 12 12 130 20 20 131 27 27 133 24 24 154 12 12 155 16 16 166 8 8 167 12 12 169 16 16 179 16 16 180 12 12 181 118 118 182 999 999 183 121 121 184 110 110 186 102 102 192 35 35 193 27 27 194 12 12 207 12 12 208 298 298 209 364 364 210 55 55 211 24 24 212 8 8 236 12 12 237 8 8 245 16 16 247 16 16 259 43 43 260 94 94 261 94 94 262 94 94 263 51 51 287 8 8 288 24 24 289 8 8 290 16 16 316 20 20 318 20 20 338 12 12 340 12 12 //