MassBank Record: MSBNK-Waters-WA002197
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
//