ACCESSION: MSBNK-Waters-WA002237
RECORD_TITLE: Fluphenazine (oxide); LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-006x-0910000000-893b6216d9ea7e1347e2
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  100 282 282
  101 12 12
  112 31 31
  113 106 106
  114 16 16
  124 20 20
  125 55 55
  126 24 24
  128 98 98
  129 20 20
  131 20 20
  133 12 12
  139 47 47
  141 121 121
  143 999 999
  144 67 67
  147 27 27
  157 12 12
  169 39 39
  171 619 619
  172 51 51
  226 16 16
  248 63 63
  258 51 51
  260 12 12
  266 51 51
  267 16 16
  280 266 266
  281 43 43
  282 12 12
  294 16 16
  296 16 16
  307 16 16
  308 24 24
  310 16 16
  324 27 27
  353 43 43
  435 20 20
  436 16 16
  438 63 63
  439 16 16
  454 74 74
  455 16 16
  470 27 27
//