ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008819
RECORD_TITLE: PENTAFLUOROBENZONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA

CH$NAME: PENTAFLUOROBENZONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇F₅N
CH$EXACT_MASS: 192.99509
CH$SMILES: N#Cc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C7F5N/c8-3-2(1-13)4(9)6(11)7(12)5(3)10
CH$LINK: INCHIKEY YXWJGZQOGXGSSC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9061126

AC$INSTRUMENT: HP 5970
AC$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$SPLASH: splash10-0006-2900000000-ca1269f2acbd19ad12a4
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  43 1.79 18
  50 0.17 2
  55 2.98 30
  56 1.38 14
  57 1.94 19
  60 0.65 7
  62 1.87 19
  69 7.11 71
  74 5.93 59
  79 4.72 47
  81 1.74 17
  86 4.02 40
  93 18.62 186
  94 0.64 6
  96 3.41 34
  98 3.67 37
  100 4.08 41
  105 4.01 40
  110 0.47 5
  112 0.66 7
  117 7.04 70
  118 0.18 2
  124 33.95 340
  125 2.13 21
  131 0.4 4
  143 3.39 34
  148 5.3 53
  162 9.87 99
  163 0.42 4
  167 0.22 2
  174 2.55 26
  191 0.14 1
  193 99.99 999
  194 7.66 77
//