ACCESSION: MSBNK-Waters-WA002198
RECORD_TITLE: Perphenazine (oxide); LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Perphenazine (oxide)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₂₆ClN₃OS
CH$EXACT_MASS: 403.14851
CH$SMILES: OCCN(C4)CCN(C4)CCCN(c21)c(c3)c(ccc(Cl)3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2
CH$LINK: CAS 58-39-9
CH$LINK: INCHIKEY RGCVKNLCSQQDEP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1023441

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 15.130 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$SPLASH: splash10-0zmi-0401900000-5c0860149ec5f42b18ba
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  143 204 204
  144 12 12
  147 12 12
  171 901 901
  172 74 74
  246 12 12
  256 12 12
  272 12 12
  370 20 20
  386 282 282
  387 59 59
  388 16 16
  402 90 90
  404 999 999
  405 176 176
  406 404 404
  407 74 74
  408 16 16
  409 24 24
  418 114 114
  419 20 20
  420 20 20
  427 35 35
  436 129 129
  437 24 24
  438 59 59
  455 39 39
//