ACCESSION: MSBNK-Waters-WA002599
RECORD_TITLE: Fluindione; LC-ESI-Q; MS; NEG; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Fluindione
CH$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$LINK: CAS 957-56-2
CH$LINK: INCHIKEY NASXCEITKQITLD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1046211

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 17.000 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$SPLASH: splash10-000i-0090000000-cb4682789aad46536f42
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  145 12 12
  183 12 12
  211 59 59
  239 999 999
  240 165 165
  241 16 16
//