ACCESSION: MSBNK-Waters-WA001210
RECORD_TITLE: Acepromethazine; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-0006-0093000000-017901dc120367f96b25
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  222 8 8
  239 161 161
  240 999 999
  241 153 153
  242 51 51
  243 8 8
  254 67 67
  255 16 16
  256 12 12
  268 12 12
  281 24 24
  282 188 188
  283 27 27
  284 8 8
  298 114 114
  299 20 20
  300 8 8
  327 239 239
  328 47 47
  329 12 12
  343 274 274
  344 55 55
  345 12 12
  359 51 51
  360 8 8
//