ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008863
RECORD_TITLE: ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE; 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$NAME: ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅F₃
CH$EXACT_MASS: 146.03433
CH$SMILES: FC(F)(F)c(c1)cccc1
CH$IUPAC: InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
CH$LINK: INCHIKEY GETTZEONDQJALK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2024589

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$SPLASH: splash10-0002-8900000000-44c6b8ce8cad5a8c0baa
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  27 3.31 33
  29 4.22 42
  31 1.88 19
  38 2.64 26
  39 4.89 49
  41 5.95 60
  43 9.71 97
  50 13.1 131
  51 19.13 191
  55 5.27 53
  57 9.79 98
  63 3.69 37
  63.5 2.86 29
  69 6.48 65
  70 4.07 41
  71 4.67 47
  73 2.26 23
  74 6.4 64
  75 9.86 99
  76 3.24 32
  77 16.87 169
  83 2.86 29
  85 3.01 30
  95 4.97 50
  96 37.95 380
  97 4.14 41
  99 2.64 26
  101 2.18 22
  115 1.51 15
  125 4.37 44
  126 4.59 46
  127 50.83 508
  128 6.02 60
  144 2.26 23
  145 38.55 386
  146 99.99 999
  147 7.68 77
//