MassBank Record: WA001160

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Bromazepam; LC-ESI-Q; MS; POS; 15 V, 30 V
Mass Spectrum
Chemical Structure
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ACCESSION: WA001160
RECORD_TITLE: Bromazepam; LC-ESI-Q; MS; POS; 15 V, 30 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 15 V, 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014i-0009000000-af67b41b5ffd941af434 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 238 27 27 288 12 12 290 12 12 316 972 972 317 98 98 318 999 999 319 133 133 320 8 8 338 31 31 340 35 35 354 8 8 //