MassBank Record: MSBNK-Waters-WA002198
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
//