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MassBank Record: WA000522

Brompheniramine; LC-ESI-Q; MS; POS; 75 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA000522
RECORD_TITLE: Brompheniramine; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-014i-0930000000-55f34ba34a5fe2c666da
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  117 51 51
  118 137 137
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  167 999 999
  168 153 153
  169 39 39
  171 31 31
  180 110 110
  181 16 16
  193 12 12
  194 114 114
  195 43 43
  196 12 12
  245 43 43
  246 35 35
  247 47 47
  248 35 35
  274 259 259
  275 43 43
  276 259 259
  277 35 35
//

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