MassBank Record: JP006777



 1,1,1-TRIFLUORO-4-PHENYL-2,4-BUTANEDIONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP006777
RECORD_TITLE: 1,1,1-TRIFLUORO-4-PHENYL-2,4-BUTANEDIONE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: TAJIMA SGUNMA COLLEGE OF TECHNOLOGY, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: 1,1,1-TRIFLUORO-4-PHENYL-2,4-BUTANEDIONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H7F3O2 CH$EXACT_MASS: 216.03981 CH$SMILES: O=C(CC(=O)C(F)(F)F)c(c1)cccc1 CH$IUPAC: InChI=1S/C10H7F3O2/c11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7/h1-5H,6H2 CH$LINK: INCHIKEY VVXLFFIFNVKFBD-UHFFFAOYSA-N
AC$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: splash10-014i-9510000000-4c1c830b0eb184475d49 PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 27 2.21 22 39 6.19 62 41 2.14 21 43 2.2 22 50 10.62 106 51 27.65 277 52 3.1 31 59 1.47 15 62 2.06 21 63 4.5 45 65 6.71 67 69 99.99 999 70 3.1 31 73.5 3.32 33 74 4.35 44 75 3.83 38 76 3.69 37 77 54.42 544 78 7.08 71 79 1.47 15 89 3.32 33 90 2.36 24 91 6.12 61 103 3.24 32 105 56.19 562 119 1.47 15 120 3.61 36 121 2.14 21 139 2.14 21 147 75.15 752 148 7.37 74 149 1.55 16 215 5.09 51 216 40.78 408 217 11.06 111 //