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MassBank Record: JP005406

1,1,1,5,5,5-HEXAFLUOROACETYLACETONE; EI-B; MS

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

ACCESSION: JP005406
RECORD_TITLE: 1,1,1,5,5,5-HEXAFLUOROACETYLACETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: 1,1,1,5,5,5-HEXAFLUOROACETYLACETONE
CH$NAME: 1,1,1,5,5,5-HEXAFLUORO-2,4-PENTADIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H2F6O2
CH$EXACT_MASS: 207.99590
CH$SMILES: O=C(CC(=O)C(F)(F)F)C(F)(F)F
CH$IUPAC: InChI=1S/C5H2F6O2/c6-4(7,8)2(12)1-3(13)5(9,10)11/h1H2
CH$LINK: INCHIKEY QAMFBRUWYYMMGJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4061753

AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014r-9400000000-143ea0627121cb91cf07
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  19 1 10
  29 1.79 18
  31 2.45 25
  33 1.2 12
  41 3.71 37
  42 4.24 42
  50 1.67 17
  51 1.08 11
  53 1.06 11
  63 1.79 18
  69 99.99 999
  70 2.93 29
  75 1.79 18
  83 1.67 17
  89 3.53 35
  91 4.66 47
  97 1.91 19
  119 5.86 59
  120 1.73 17
  137 1.73 17
  139 50.75 508
  140 2.27 23
  208 2.39 24
//

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