ACCESSION: MSBNK-Waters-WA000521
RECORD_TITLE: Brompheniramine; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Brompheniramine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₉BrN₂
CH$EXACT_MASS: 318.07316
CH$SMILES: CN(C)CCC(c(c2)nccc2)c(c1)ccc(Br)c1
CH$IUPAC: InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
CH$LINK: CAS 86-22-6
CH$LINK: INCHIKEY ZDIGNSYAACHWNL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5022691

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 13.190 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 90 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-014i-0900000000-ef06a42b932ad8a2fb8b
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  117 114 114
  118 168 168
  119 31 31
  166 35 35
  167 999 999
  168 157 157
  169 39 39
  171 31 31
  180 90 90
  181 12 12
  193 24 24
  194 121 121
  195 35 35
  245 31 31
  246 12 12
  247 31 31
  248 12 12
  274 43 43
  276 39 39
//