MassBank Record: MSBNK-Waters-WA002239
ACCESSION: MSBNK-Waters-WA002239
RECORD_TITLE: Fluphenazine (oxide); LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Fluphenazine (oxide)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H26F3N3OS
CH$EXACT_MASS: 437.17487
CH$SMILES: OCCN(C4)CCN(C4)CCCN(c21)c(c3)c(ccc(C(F)(F)F)3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
CH$LINK: CAS
69-23-8
CH$LINK: INCHIKEY
PLDUPXSUYLZYBN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2023068
AC$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$CHROMATOGRAPHY: RETENTION_TIME 15.750 min
AC$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: splash10-000i-0100900000-b543b6fb5ff668ab469c
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
143 74 74
171 239 239
172 24 24
398 20 20
438 999 999
439 215 215
440 63 63
454 153 153
455 31 31
470 231 231
471 47 47
472 16 16
//
system version 2.2.6-SNAPSHOT