ACCESSION: MSBNK-Waters-WA001160
RECORD_TITLE: Bromazepam; LC-ESI-Q; MS; POS; 15 V, 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 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
//