ACCESSION: MSBNK-Waters-WA002196
RECORD_TITLE: Perphenazine (oxide); LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-006x-0920000000-b371cf4a00b3374f91bd
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  100 372 372
  101 24 24
  112 20 20
  113 110 110
  124 16 16
  125 20 20
  126 20 20
  128 90 90
  129 20 20
  131 16 16
  139 24 24
  141 94 94
  143 999 999
  144 51 51
  147 20 20
  169 27 27
  171 560 560
  172 43 43
  196 24 24
  198 24 24
  211 20 20
  212 31 31
  214 90 90
  215 24 24
  216 24 24
  228 67 67
  232 20 20
  233 12 12
  239 71 71
  240 12 12
  241 12 12
  246 129 129
  247 12 12
  248 55 55
  255 24 24
  256 20 20
  269 12 12
  272 12 12
  273 12 12
  274 12 12
  276 12 12
  301 12 12
  319 12 12
  404 24 24
  418 12 12
//