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MassBank Record: WA001208

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

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

ACCESSION: WA001208
RECORD_TITLE: Acepromethazine; 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$NAME: Acepromethazine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H22N2OS
CH$EXACT_MASS: 326.14528
CH$SMILES: CN(C)C(C)CN(c21)c(c3)c(ccc(C(C)=O)3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C19H22N2OS/c1-13(20(3)4)12-21-16-7-5-6-8-18(16)23-19-10-9-15(14(2)22)11-17(19)21/h5-11,13H,12H2,1-4H3
CH$LINK: CAS 13461-01-3
CH$LINK: INCHIKEY XLOQNFNTQIRSOX-UHFFFAOYSA-N

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 14.030 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$SPLASH: splash10-0006-0290000000-7d4b68d4a0aa57997967
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  105 20 20
  162 8 8
  167 8 8
  179 8 8
  180 8 8
  196 12 12
  197 454 454
  198 63 63
  199 31 31
  204 16 16
  206 12 12
  207 24 24
  208 8 8
  212 16 16
  222 51 51
  223 24 24
  224 165 165
  225 71 71
  226 20 20
  228 8 8
  236 8 8
  238 16 16
  239 71 71
  240 999 999
  241 145 145
  242 55 55
  243 8 8
  250 20 20
  252 8 8
  254 27 27
  255 8 8
  266 24 24
  267 16 16
  268 8 8
  281 39 39
  282 24 24
  283 8 8
//

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