ACCESSION: MSBNK-Waters-WA000479
RECORD_TITLE: Pizotifen; 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$NAME: Pizotifen
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₁NS
CH$EXACT_MASS: 295.13947
CH$SMILES: CN(C4)CCC(C4)=C(c21)c(c3)c(sc3)CCc(cccc2)1
CH$IUPAC: InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3
CH$LINK: CAS 15574-96-6
CH$LINK: INCHIKEY FIADGNVRKBPQEU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6023490

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 14.650 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$SPLASH: splash10-0002-0090000000-6f2902cdda7176484062
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  199 31 31
  296 999 999
  297 208 208
  298 67 67
  299 12 12
//