MassBank Record: MSBNK-Waters-WA002199
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
//