ACCESSION: MSBNK-Waters-WA002250
RECORD_TITLE: Haloperidol; 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$NAME: Haloperidol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₂₃ClFNO₂
CH$EXACT_MASS: 375.14013
CH$SMILES: Fc(c3)ccc(c3)C(=O)CCCN(C2)CCC(O)(C2)c(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
CH$LINK: CAS 52-86-8
CH$LINK: INCHIKEY LNEPOXFFQSENCJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4034150

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 14.800 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$SPLASH: splash10-0019-0900000000-a44a5186b87925c0e6c2
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  111 16 16
  125 16 16
  129 12 12
  139 999 999
  140 43 43
  141 349 349
  142 12 12
  181 451 451
  182 35 35
  183 161 161
  184 12 12
  198 27 27
  199 8 8
  212 8 8
  222 27 27
  224 12 12
  374 8 8
  376 8 8
  392 8 8
//