ACCESSION: MSBNK-Waters-WA002255
RECORD_TITLE: Hydroxyhaloperidol; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-01ot-0916000000-4d480edba0ac4925affe
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  109 74 74
  123 27 27
  129 24 24
  147 20 20
  149 999 999
  150 90 90
  165 106 106
  178 12 12
  194 86 86
  196 39 39
  204 24 24
  206 121 121
  207 12 12
  208 16 16
  224 63 63
  226 20 20
  326 20 20
  342 125 125
  343 20 20
  344 51 51
  360 458 458
  361 86 86
  362 172 172
  363 27 27
  378 102 102
  379 20 20
  380 35 35
//