ACCESSION: MSBNK-Waters-WA002117
RECORD_TITLE: Flupentixol; LC-ESI-Q; MS; POS; 15 V, 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Flupentixol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₂₅F₃N₂OS
CH$EXACT_MASS: 434.16397
CH$SMILES: OCCN(C4)CCN(C4)CCC=C(c21)c(c3)c(ccc(C(F)(F)F)3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5-
CH$LINK: CAS 2709-56-0
CH$LINK: INCHIKEY NJMYODHXAKYRHW-DVZOWYKESA-N
CH$LINK: COMPTOX DTXSID9046310

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 16.000 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 15 V, 45 V

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

PK$SPLASH: splash10-000i-0000900000-ab7f8adfcbaa450cb8bd
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  435 999 999
  436 227 227
  437 71 71
//