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MassBank Record: WA000689

Propafenone; LC-ESI-Q; MS; POS; 15 V

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

ACCESSION: WA000689
RECORD_TITLE: Propafenone; LC-ESI-Q; MS; POS; 15 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Propafenone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H27NO3
CH$EXACT_MASS: 341.19909
CH$SMILES: CCCNCC(O)COc(c2)c(ccc2)C(=O)CCc(c1)cccc1
CH$IUPAC: InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
CH$LINK: CAS 54063-53-5
CH$LINK: INCHIKEY JWHAUXFOSRPERK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9045184

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 14.600 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

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

PK$SPLASH: splash10-0006-0009000000-336f1e1bd7a92f58ba96
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  342 999 999
  343 215 215
  344 27 27
//

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