MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005403
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005403
RECORD_TITLE: TRIFLUOROACETIC ACID ETHYL ESTER; 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$NAME: TRIFLUOROACETIC ACID ETHYL ESTER
CH$NAME: ETHYL TRIFLUOROACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H5F3O2
CH$EXACT_MASS: 142.02416
CH$SMILES: CCOC(=O)C(F)(F)F
CH$IUPAC: InChI=1S/C4H5F3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
CH$LINK: COMPTOX
DTXSID8041959
CH$LINK: INCHIKEY
STSCVKRWJPWALQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:9794
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$SPLASH: splash10-004i-9000000000-b8b335c3b1c91f1b15d5
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
15 3.52 35
26 4.61 46
27 27.78 278
28 13.35 134
29 99.99 999
30 2.5 25
31 5.38 54
33 2.69 27
43 2.88 29
44 3.97 40
45 1.98 20
47 1.73 17
50 2.24 22
51 1.66 17
69 27.46 275
73 1.02 10
97 1.22 12
99 5.83 58
115 1 10
127 1.86 19
141 3.78 38
142 1.15 12
//