ACCESSION: MSBNK-Waters-WA002199
RECORD_TITLE: Perphenazine (oxide); LC-ESI-Q; MS; POS; 15 V, 30 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 15 V, 30 V

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

PK$SPLASH: splash10-0zfr-0001900000-098a8af8edb03245f129
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  171 24 24
  370 24 24
  386 294 294
  387 67 67
  388 16 16
  402 98 98
  404 999 999
  405 133 133
  406 407 407
  407 63 63
  408 16 16
  418 114 114
  420 27 27
  427 24 24
  436 121 121
  437 20 20
  438 51 51
  455 55 55
  456 12 12
//