ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008813
RECORD_TITLE: GLYOXAL BIS(O-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$NAME: GLYOXAL BIS(O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₆F₁₀N₂O₂
CH$EXACT_MASS: 448.02696
CH$SMILES: C(C=NOCc(c(F)2)c(F)c(F)c(F)c(F)2)=NOCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C16H6F10N2O2/c17-7-5(8(18)12(22)15(25)11(7)21)3-29-27-1-2-28-30-4-6-9(19)13(23)16(26)14(24)10(6)20/h1-2H,3-4H2/b27-1-,28-2-
CH$LINK: INCHIKEY VNVBOBJSRGZDCW-OFELNDECSA-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$SPLASH: splash10-001i-2900000000-c32b2ccf9723ef4f0a45
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
  42 0.25 3
  43 2.81 28
  44 2.7 27
  51 1.12 11
  53 0.22 2
  54 0.16 2
  55 2.71 27
  56 0.9 9
  57 2.37 24
  61 0.1 1
  62 0.23 2
  67 1.14 11
  68 0.66 7
  69 3.69 37
  70 0.64 6
  71 1.13 11
  74 0.28 3
  75 1.26 13
  79 1.19 12
  80 0.56 6
  81 2.96 30
  82 0.23 2
  83 0.95 10
  85 0.56 6
  86 0.13 1
  91 0.74 7
  93 2.46 25
  95 1.44 14
  97 0.9 9
  98 0.98 10
  99 3.23 32
  105 0.72 7
  107 0.45 5
  109 0.76 8
  111 1 10
  112 0.95 10
  113 0.3 3
  117 3.84 38
  118 0.71 7
  119 2.51 25
  123 0.63 6
  124 0.16 2
  129 0.38 4
  130 0.33 3
  131 1.86 19
  137 0.93 9
  143 0.84 8
  148 0.49 5
  149 0.97 10
  150 1.08 11
  151 0.36 4
  155 1.08 11
  161 0.43 4
  162 1 10
  167 2.65 27
  168 1.38 14
  169 0.4 4
  177 0.67 7
  178 0.33 3
  179 0.17 2
  181 99.99 999
  182 7.15 72
  183 0.16 2
  195 2.86 29
  196 0.67 7
  197 0.79 8
  198 0.68 7
  235 0.36 4
  251 0.63 6
  253 0.17 2
  418 0.08 1
  448 1.96 20
  449 0.11 1
//