ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008814
RECORD_TITLE: PYRUVALDEHYDE 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$NAME: PYRUVALDEHYDE BIS(O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₈F₁₀N₂O₂
CH$EXACT_MASS: 462.04261
CH$SMILES: CC(C=NOCc(c(F)2)c(F)c(F)c(F)c(F)2)=NOCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C17H8F10N2O2/c1-5(29-31-4-7-10(20)14(24)17(27)15(25)11(7)21)2-28-30-3-6-8(18)12(22)16(26)13(23)9(6)19/h2H,3-4H2,1H3
CH$LINK: INCHIKEY ULNZDMZUVMUJSZ-UHFFFAOYSA-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$SPLASH: splash10-001i-1900000000-cfef677c3ba9a1b7e8f8
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  42 2.31 23
  43 1.07 11
  44 2.99 30
  51 0.76 8
  53 0.24 2
  54 1.08 11
  55 0.59 6
  56 0.09 1
  57 0.83 8
  62 0.21 2
  68 0.16 2
  69 1.82 18
  70 0.07 1
  71 0.55 6
  72 0.28 3
  74 0.13 1
  75 1.17 12
  79 0.46 5
  80 0.37 4
  81 1.54 15
  84 0.86 9
  86 0.29 3
  93 1.62 16
  98 0.69 7
  99 2.69 27
  100 0.06 1
  105 0.11 1
  111 0.31 3
  112 0.79 8
  117 2.74 27
  118 0.38 4
  119 1.68 17
  130 0.1 1
  131 1.36 14
  137 0.35 4
  143 0.62 6
  148 0.26 3
  149 1.3 13
  150 0.75 8
  155 0.77 8
  161 3.78 38
  162 1.03 10
  163 0.08 1
  167 2.2 22
  168 1.08 11
  169 0.23 2
  177 0.26 3
  181 99.99 999
  182 7.19 72
  195 2.42 24
  196 0.66 7
  197 0.49 5
  198 0.24 2
  248 0.25 3
  249 0.23 2
  265 4.34 43
  266 0.44 4
  267 0.54 5
  432 0.21 2
//