ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011271
RECORD_TITLE: PHENYL TRIFLUOROACETATE; 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$NAME: PHENYL TRIFLUOROACETATE
CH$NAME: TRIFLUOROACETIC ACID PHENYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₅F₃O₂
CH$EXACT_MASS: 190.02416
CH$SMILES: O=C(Oc(c1)cccc1)C(F)(F)F
CH$IUPAC: InChI=1S/C8H5F3O2/c9-8(10,11)7(12)13-6-4-2-1-3-5-6/h1-5H
CH$LINK: INCHIKEY DVCMYAIUSOSIQP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9060106

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$SPLASH: splash10-014i-9100000000-ae667447b781e5bc4b3a
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  26 2.26 23
  27 2.81 28
  29 1.65 17
  31 3.32 33
  37 5.19 52
  38 14.51 145
  39 54.67 547
  40 3.79 38
  45 4.61 46
  49 1.79 18
  50 20.01 200
  51 21.19 212
  52 1.16 12
  53 2.02 20
  55 1.29 13
  61 3.06 31
  62 6.55 66
  63 15.69 157
  64 6.96 70
  65 99.99 999
  66 9.61 96
  69 59.28 593
  70 1.49 15
  73 1.06 11
  74 4.27 43
  75 2.59 26
  76 2.32 23
  77 38.3 383
  78 3.4 34
  84 1.6 16
  92 1.68 17
  93 20.82 208
  94 10.62 106
  95 1.72 17
  96 12.16 122
  97 2.57 26
  114 1.78 18
  115 1.03 10
  121 4.48 45
  143 4.55 46
  162 20.41 204
  163 1.59 16
  190 52.15 522
  191 4.8 48
//