ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007923
RECORD_TITLE: 2-PENTAFLOROETYLBENZIMIDAZ0L; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MAKI Y, GOVERMENT INDUSTRIAL RESEARCH INSTITUTE, NAGOYA
LICENSE: CC BY-NC-SA
CH$NAME: 2-PENTAFLOROETYLBENZIMIDAZ0L
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H5F5N2
CH$EXACT_MASS: 236.03729
CH$SMILES: C1=CC=C2C(=C1)NC(=N2)C(C(F)(F)F)(F)F
CH$IUPAC: InChI=1S/C9H5F5N2/c10-8(11,9(12,13)14)7-15-5-3-1-2-4-6(5)16-7/h1-4H,(H,15,16)
CH$LINK: INCHIKEY MRDUDGYTAUTZQP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40508893
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$SPLASH: splash10-00kr-0970000000-2e148607eecb2ca50544
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  45 1.2 12
  90 4.57 46
  95 5.21 52
  100 1.34 13
  102 4.79 48
  108 3.13 31
  140 10.44 104
  147 9.3 93
  148 1.03 10
  167 90.73 907
  168 8.9 89
  186 3.37 34
  217 4.9 49
  235 1.31 13
  236 99.99 999
  237 10.82 108
//
