ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006051
RECORD_TITLE: ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-1900000000-0a80429f2bb48f708850
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  51 1 10
  63 0.1 1
  77 3.42 34
  96 20.16 202
  97 1.25 13
  126 1.28 13
  127 18.32 183
  128 1.33 13
  145 26.03 260
  146 99.99 999
  147 7.53 75
//