ACCESSION: MSBNK-Waters-WA001157
RECORD_TITLE: Bromazepam; LC-ESI-Q; MS; POS; 75 V, 90 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 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
//