ACCESSION: MSBNK-Waters-WA002236
RECORD_TITLE: Fluphenazine (oxide); LC-ESI-Q; MS; POS; 90 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 90 V

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

PK$SPLASH: splash10-0f6x-0950000000-7c1ddf8a4c13bc64649d
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  100 995 995
  101 51 51
  102 12 12
  110 12 12
  111 39 39
  112 82 82
  113 235 235
  114 24 24
  117 12 12
  124 51 51
  125 71 71
  126 31 31
  127 16 16
  128 231 231
  129 31 31
  131 27 27
  133 16 16
  139 125 125
  141 231 231
  143 999 999
  144 55 55
  147 20 20
  157 20 20
  169 35 35
  171 262 262
  172 20 20
  226 35 35
  230 16 16
  239 20 20
  247 12 12
  248 552 552
  249 71 71
  258 27 27
  260 67 67
  261 16 16
  262 24 24
  266 259 259
  267 78 78
  268 20 20
  274 20 20
  275 16 16
  276 12 12
  280 603 603
  281 86 86
  282 35 35
  291 12 12
  293 20 20
  294 31 31
  296 27 27
  306 16 16
  307 27 27
  308 27 27
  310 31 31
  324 16 16
  353 24 24
  404 27 27
  435 20 20
  438 16 16
  454 31 31
  470 12 12
//