ACCESSION: MSBNK-Waters-WA002254
RECORD_TITLE: Hydroxyhaloperidol; 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$NAME: Hydroxyhaloperidol
CH$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 45 V

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

PK$SPLASH: splash10-03fr-0009000000-ba257a6024192051e0f8
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  149 188 188
  150 12 12
  165 63 63
  194 51 51
  196 20 20
  206 39 39
  224 20 20
  326 55 55
  342 82 82
  344 74 74
  345 12 12
  360 964 964
  361 172 172
  362 353 353
  363 55 55
  378 999 999
  379 168 168
  380 380 380
  381 67 67
//