MassBank Record: WA002600



 Fluindione; LC-ESI-Q; MS; NEG; 15 V, 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002600
RECORD_TITLE: Fluindione; LC-ESI-Q; MS; NEG; 15 V, 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Fluindione CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H9FO2 CH$EXACT_MASS: 240.05866 CH$SMILES: Fc(c3)ccc(c3)C(C(=O)1)C(=O)c(c2)c(ccc2)1 CH$IUPAC: InChI=1S/C15H9FO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H CH$LINK: CAS 957-56-2
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 17.000 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 15 V, 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-000i-0090000000-5f9f2cb7d66d49e34afa PK$NUM_PEAK: 3 PK$PEAK: m/z int. rel.int. 239 999 999 240 165 165 241 20 20 //