ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008822
RECORD_TITLE: 2,3,4,5,6-PENTAFLUOROBENZALDEHYDE 2',3',4',5',6'-PENTAFLUOROBENZYLOXIME; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA
CH$NAME: 2,3,4,5,6-PENTAFLUOROBENZALDEHYDE 2',3',4',5',6'-PENTAFLUOROBENZYLOXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H3F10NO
CH$EXACT_MASS: 391.00550
CH$SMILES: Fc(c(F)1)c(F)c(F)c(C=NOCc(c(F)2)c(F)c(F)c(F)c(F)2)c(F)1
CH$IUPAC: InChI=1S/C14H3F10NO/c15-5-3(6(16)10(20)13(23)9(5)19)1-25-26-2-4-7(17)11(21)14(24)12(22)8(4)18/h1H,2H2/b25-1+
CH$LINK: INCHIKEY CBUMHWYKQJKMTE-WDOSQBGKSA-N
AC$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: splash10-001i-1900000000-4f822ec68de35f42add7
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  44 0.87 9
  51 0.86 9
  55 0.42 4
  56 0.2 2
  61 0.41 4
  62 0.49 5
  68 0.52 5
  69 2.95 30
  74 0.87 9
  75 1.91 19
  79 1.45 15
  80 1.08 11
  81 1.52 15
  86 0.78 8
  92 0.36 4
  93 5.39 54
  98 2.45 25
  99 3.86 39
  100 0.41 4
  105 0.35 4
  106 0.11 1
  111 0.9 9
  112 0.94 9
  113 0.2 2
  117 10.44 104
  118 0.88 9
  119 1.84 18
  123 0.14 1
  124 3.02 30
  129 0.21 2
  130 2.03 20
  131 1.56 16
  137 0.57 6
  141 0.23 2
  143 1.07 11
  144 0.25 3
  148 0.87 9
  149 0.53 5
  150 0.9 9
  155 1.59 16
  161 7.14 71
  162 2.87 29
  167 5.81 58
  168 1.85 19
  169 0.36 4
  174 2.32 23
  177 0.31 3
  178 0.11 1
  179 0.57 6
  181 99.99 999
  182 7.2 72
  183 0.13 1
  193 2.15 22
  194 1.01 10
  195 2.87 29
  196 0.59 6
  197 0.28 3
  361 0.39 4
  391 0.88 9
//
