ACCESSION: MSBNK-Waters-WA002248
RECORD_TITLE: Haloperidol; 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$NAME: Haloperidol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₂₃ClFNO₂
CH$EXACT_MASS: 375.14013
CH$SMILES: Fc(c3)ccc(c3)C(=O)CCCN(C2)CCC(O)(C2)c(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C21H23ClFNO2/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/h3-10,26H,1-2,11-15H2
CH$LINK: CAS 52-86-8
CH$LINK: INCHIKEY LNEPOXFFQSENCJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4034150

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 14.800 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$SPLASH: splash10-001i-0901000000-2ba235edb7890f50e11a
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  139 435 435
  140 16 16
  141 141 141
  142 8 8
  179 8 8
  181 999 999
  182 86 86
  183 345 345
  184 24 24
  194 20 20
  196 12 12
  198 20 20
  199 12 12
  210 16 16
  212 20 20
  222 27 27
  224 12 12
  253 8 8
  374 63 63
  375 8 8
  376 43 43
  377 8 8
  378 8 8
  392 67 67
  393 12 12
  394 47 47
  395 8 8
  396 8 8
//