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MassBank Record: JP005405

1,1,1-TRIFLUOROACETYLACETONE; EI-B; MS

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

ACCESSION: JP005405
RECORD_TITLE: 1,1,1-TRIFLUOROACETYLACETONE; 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$NAME: 1,1,1-TRIFLUOROACETYLACETONE
CH$NAME: 1,1,1-TRIFLUORO-2,4-PENTADIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H5F3O2
CH$EXACT_MASS: 154.02416
CH$SMILES: CC(=O)CC(=O)C(F)(F)F
CH$IUPAC: InChI=1S/C5H5F3O2/c1-3(9)2-4(10)5(6,7)8/h2H2,1H3
CH$LINK: INCHIKEY SHXHPUAKLCCLDV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3059896

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$SPLASH: splash10-00ko-9000000000-f8bf974377af1253f3e3
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  15 8.47 85
  26 1.93 19
  27 7.16 72
  29 7.27 73
  31 6.7 67
  38 2.39 24
  39 8.35 84
  40 1.59 16
  41 7.73 77
  42 8.07 81
  43 99.99 999
  44 4.55 46
  45 5.97 60
  50 2.16 22
  51 3.47 35
  53 1.7 17
  55 3.86 39
  69 50.06 501
  70 1.65 17
  77 1.48 15
  85 57.27 573
  86 2.78 28
  89 1.82 18
  91 2.22 22
  94 4.43 44
  97 1.25 13
  107 3.58 36
  119 5.63 56
  127 1 10
  139 8.64 86
  154 11.08 111
  155 1.82 18
//

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