MassBank Record: JP005406

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1,1,1,5,5,5-HEXAFLUOROACETYLACETONE; EI-B; MS
Mass Spectrum
Chemical Structure
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ACCESSION: JP005406
RECORD_TITLE: 1,1,1,5,5,5-HEXAFLUOROACETYLACETONE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 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 //