MassBank Record: WA002198



 Perphenazine (oxide); LC-ESI-Q; MS; POS; 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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: Copyright 2007-2011 Nihon Waters K.K.

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$LINK: CAS 58-39-9
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 15.130 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$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 //