MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005405
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
//
system version 2.2.6-SNAPSHOT