ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009401
RECORD_TITLE: TRIFLUOROACETIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: TRIFLUOROACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂HF₃O₂
CH$EXACT_MASS: 113.99286
CH$SMILES: OC(=O)C(F)(F)F
CH$IUPAC: InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
CH$LINK: INCHIKEY DTQVDTLACAAQTR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9041578

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0fr2-9000000000-aed48110ad973f60f967
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  17 2.98 30
  18 3.4 34
  29 6.88 69
  31 13.24 132
  44 5.09 51
  45 99.99 999
  46 1.17 12
  47 2.35 24
  50 21.76 218
  51 43.28 433
  67 1.06 11
  69 73.85 739
  70 2.56 26
  78 2.16 22
  86 1.69 17
  95 6.41 64
  97 3.96 40
  114 1.06 11
//