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MassBank Record: WA002247

Haloperidol; LC-ESI-Q; MS; POS; 15 V, 30 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA002247
RECORD_TITLE: Haloperidol; LC-ESI-Q; MS; POS; 15 V, 30 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 15 V, 30 V

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

PK$SPLASH: splash10-0006-0009000000-4a4f3817229fdb89a985
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  273 16 16
  299 8 8
  315 39 39
  316 8 8
  331 31 31
  332 8 8
  345 12 12
  358 59 59
  359 12 12
  360 24 24
  361 8 8
  374 8 8
  392 999 999
  393 137 137
  394 737 737
  395 118 118
  396 125 125
  397 20 20
//

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