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MassBank Record: WA000429

Chlorpheniramine; LC-ESI-Q; MS; POS; 90 V

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

ACCESSION: WA000429
RECORD_TITLE: Chlorpheniramine; 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$NAME: Chlorpheniramine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H19ClN2
CH$EXACT_MASS: 274.12368
CH$SMILES: CN(C)CCC(c(c2)nccc2)c(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C16H19ClN2/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$LINK: CAS 132-22-9
CH$LINK: INCHIKEY SOYKEARSMXGVTM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0022804

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 12.900 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$SPLASH: splash10-014i-0910000000-50c81d33c8e6c0026c14
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  115 12 12
  117 157 157
  118 184 184
  119 20 20
  125 90 90
  127 31 31
  140 12 12
  166 35 35
  167 999 999
  168 153 153
  180 90 90
  181 12 12
  192 16 16
  193 35 35
  194 90 90
  195 16 16
  201 110 110
  202 35 35
  203 43 43
  204 12 12
  214 16 16
  228 20 20
  230 67 67
  232 20 20
//

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