ACCESSION: MSBNK-Waters-WA002256
RECORD_TITLE: Hydroxyhaloperidol; 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$NAME: Hydroxyhaloperidol
CH$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 75 V

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

PK$SPLASH: splash10-0002-0900000000-80c695dd282605129508
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  109 368 368
  110 20 20
  112 12 12
  121 12 12
  123 55 55
  125 16 16
  129 106 106
  130 20 20
  134 39 39
  147 63 63
  149 999 999
  150 106 106
  165 55 55
  178 16 16
  194 20 20
  196 12 12
  204 20 20
  206 63 63
  208 12 12
  224 35 35
  226 12 12
  342 43 43
  344 16 16
  360 55 55
  361 12 12
  362 20 20
  378 16 16
//