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MassBank Record: WA002239

Fluphenazine (oxide); LC-ESI-Q; MS; POS; 45 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: 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
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  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
//

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