ACCESSION: MSBNK-Waters-WA001159
RECORD_TITLE: Bromazepam; LC-ESI-Q; MS; POS; 45 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 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
//