ACCESSION: MSBNK-Waters-WA002257
RECORD_TITLE: Hydroxyhaloperidol; LC-ESI-Q; MS; POS; 90 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 90 V

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

PK$SPLASH: splash10-0a4j-0900000000-eef98f6a7122c7eb5867
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  103 24 24
  109 999 999
  110 47 47
  112 12 12
  121 39 39
  123 82 82
  125 27 27
  127 12 12
  128 31 31
  129 227 227
  130 43 43
  133 12 12
  134 129 129
  135 12 12
  137 27 27
  139 20 20
  147 110 110
  149 658 658
  150 102 102
  165 20 20
  206 24 24
  224 12 12
  378 12 12
//