ACCESSION: MSBNK-Waters-WA002238
RECORD_TITLE: Fluphenazine (oxide); LC-ESI-Q; MS; POS; 60 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 60 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-00dl-0900400000-398300cd365c4f5203c8
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  100 47 47
  112 12 12
  113 35 35
  125 39 39
  126 12 12
  128 35 35
  131 12 12
  141 47 47
  143 658 658
  144 39 39
  147 31 31
  169 31 31
  171 999 999
  172 82 82
  258 63 63
  280 94 94
  308 24 24
  324 31 31
  353 47 47
  398 39 39
  435 12 12
  436 16 16
  438 474 474
  439 94 94
  440 31 31
  454 180 180
  455 39 39
  470 145 145
  471 27 27
//