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MassBank Record: WA002251

Haloperidol; LC-ESI-Q; MS; POS; 45 V

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

ACCESSION: WA002251
RECORD_TITLE: Haloperidol; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-000x-0609000000-a6809e0ab1efe4391d95
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  139 35 35
  141 12 12
  181 999 999
  182 78 78
  183 329 329
  184 24 24
  194 27 27
  196 12 12
  198 8 8
  199 8 8
  210 31 31
  212 47 47
  222 12 12
  270 12 12
  315 43 43
  316 8 8
  331 20 20
  340 8 8
  358 39 39
  359 8 8
  360 16 16
  374 176 176
  375 20 20
  376 125 125
  377 24 24
  378 24 24
  392 787 787
  393 141 141
  394 572 572
  395 86 86
  396 102 102
  397 20 20
//

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