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MassBank Record: WA002135

Acepromazine (oxide); LC-ESI-Q; MS; POS; 75 V

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

ACCESSION: WA002135
RECORD_TITLE: Acepromazine (oxide); 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$NAME: Acepromazine (oxide)
CH$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 75 V

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

PK$SPLASH: splash10-0fkc-0090000000-f5a7eaf2391c93da2d73
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  106 16 16
  117 24 24
  179 20 20
  180 47 47
  198 35 35
  199 43 43
  206 129 129
  207 59 59
  208 24 24
  211 71 71
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  213 31 31
  214 12 12
  222 999 999
  223 125 125
  224 39 39
  225 51 51
  226 71 71
  227 12 12
  234 12 12
  236 114 114
  237 16 16
  238 67 67
  239 274 274
  240 368 368
  241 251 251
  242 43 43
  254 658 658
  255 114 114
  256 51 51
  266 12 12
  267 12 12
  270 20 20
  280 47 47
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  282 27 27
  298 12 12
  327 43 43
  343 20 20
//

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