MassBank Record: JP011766

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1,1,1-TRIFLUOROACETONE; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP011766
RECORD_TITLE: 1,1,1-TRIFLUOROACETONE; 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$NAME: 1,1,1-TRIFLUOROACETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H3F3O
CH$EXACT_MASS: 112.013599999999996725819073617458343505859375
CH$SMILES: CC(=O)C(F)(F)F
CH$IUPAC: InChI=1S/C3H3F3O/c1-2(7)3(4,5)6/h1H3
CH$LINK: COMPTOX DTXSID9059963
CH$LINK: INCHIKEY FHUDAMLDXFJHJE-UHFFFAOYSA-N

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$SPLASH: splash10-00kf-9000000000-11dbb8873168018b095f
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  14 6.17 62
  15 57.35 574
  26 1.75 18
  27 1.17 12
  29 2.48 25
  31 6.83 68
  33 1.84 18
  41 2.85 29
  42 12.03 120
  43 99.99 999
  44 3.24 32
  50 6.58 66
  51 1.23 12
  59 1.11 11
  69 32.48 325
  75 1.08 11
  78 1.42 14
  97 1.22 12
//