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MassBank Record: JP011286

HEXAFLUOROACETONE; EI-B; MS

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

ACCESSION: JP011286
RECORD_TITLE: HEXAFLUOROACETONE; 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$NAME: HEXAFLUOROACETONE
CH$NAME: PERFLUOROACETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3F6O
CH$EXACT_MASS: 165.98533
CH$SMILES: O=C(C(F)(F)F)C(F)(F)F
CH$IUPAC: InChI=1S/C3F6O/c4-2(5,6)1(10)3(7,8)9
CH$LINK: INCHIKEY VBZWSGALLODQNC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9043778

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-014i-9000000000-3f3d6b6a01fe1cfb62cf
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  31 33.75 338
  40 1.26 13
  43 1.64 16
  47 1.39 14
  50 42.88 429
  62 1.05 11
  69 99.99 999
  70 1.79 18
  74 1.02 10
  78 6.43 64
  93 1.76 18
  97 19.4 194
  100 1.33 13
  119 1.38 14
  147 11.98 120
//

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