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
//