ACCESSION: MSBNK-Waters-WA002197
RECORD_TITLE: Perphenazine (oxide); LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-00dl-0900100000-48541d7f649466b9dc9b
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  100 51 51
  113 35 35
  126 12 12
  128 24 24
  141 35 35
  143 635 635
  144 39 39
  147 20 20
  169 20 20
  171 999 999
  172 78 78
  214 12 12
  228 27 27
  239 31 31
  246 47 47
  248 20 20
  256 20 20
  272 16 16
  274 12 12
  285 12 12
  301 12 12
  319 16 16
  386 27 27
  402 20 20
  404 145 145
  405 24 24
  406 63 63
  418 24 24
  436 31 31
  438 12 12
//