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MassBank Record: MSBNK-Waters-WA002598

Fluindione; LC-ESI-Q; MS; NEG; 75 V

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

ACCESSION: MSBNK-Waters-WA002598
RECORD_TITLE: Fluindione; LC-ESI-Q; MS; NEG; 75 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 75 V

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

PK$SPLASH: splash10-000i-0390000000-e1f658fe7242942aa54f
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  101 27 27
  119 16 16
  125 12 12
  135 55 55
  145 137 137
  146 12 12
  163 47 47
  169 102 102
  170 12 12
  175 12 12
  183 86 86
  184 12 12
  191 59 59
  211 215 215
  212 35 35
  219 39 39
  239 999 999
  240 168 168
  241 16 16
//

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