ACCESSION: MSBNK-Waters-WA002253
RECORD_TITLE: Hydroxyhaloperidol; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Hydroxyhaloperidol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₂₅ClFNO₂
CH$EXACT_MASS: 377.15578
CH$SMILES: Fc(c3)ccc(c3)C(O)CCCN(C2)CCC(O)(C2)c(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C21H25ClFNO2/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/h3-10,20,25-26H,1-2,11-15H2
CH$LINK: CAS 34104-67-1
CH$LINK: INCHIKEY WNZBBTJFOIOEMP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80929321

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 13.730 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 30 V

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

PK$SPLASH: splash10-004i-0009000000-5424b56e80acb64057a5
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  101 16 16
  344 55 55
  360 63 63
  361 12 12
  362 20 20
  378 999 999
  379 176 176
  380 372 372
  381 63 63
//