MassBank Record: WA002137

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Acepromazine (oxide); LC-ESI-Q; MS; POS; 45 V

Mass Spectrum
Chemical Structure
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ACCESSION: WA002137
RECORD_TITLE: Acepromazine (oxide); 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$NAME: Acepromazine (oxide)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H22N2OS
CH$EXACT_MASS: 326.14528
CH$SMILES: CN(C)CCCN(c21)c(c3)c(ccc(C(C)=O)3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3
CH$LINK: CAS 61-00-7
CH$LINK: INCHIKEY NOSIYYJFMPDDSA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1022552

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 14.070 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$SPLASH: splash10-004i-0029000000-6f33744c4caeaf8393e6
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  239 39 39
  240 78 78
  241 20 20
  254 121 121
  255 20 20
  256 16 16
  282 55 55
  298 16 16
  327 999 999
  328 192 192
  329 63 63
  343 184 184
  344 35 35
  359 55 55
  360 12 12
//