ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008809
RECORD_TITLE: ACETONE 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$NAME: ACETONE O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₈F₅NO
CH$EXACT_MASS: 253.05260
CH$SMILES: CC(C)=NOCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C10H8F5NO/c1-4(2)16-17-3-5-6(11)8(13)10(15)9(14)7(5)12/h3H2,1-2H3
CH$LINK: INCHIKEY DLIFNTQMBOCKTL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80345204

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$SPLASH: splash10-001i-2910000000-6d03966b1e1e7cbb4cd5
PK$NUM_PEAK: 82
PK$PEAK: m/z int. rel.int.
  41 5.22 52
  42 4.34 43
  43 0.26 3
  44 0.19 2
  50 0.11 1
  51 0.77 8
  52 0.26 3
  54 1.08 11
  55 0.64 6
  56 2.51 25
  57 0.35 4
  61 0.24 2
  62 0.28 3
  68 0.23 2
  69 1.66 17
  70 0.42 4
  72 6.68 67
  73 0.23 2
  74 0.31 3
  75 1.05 11
  79 0.41 4
  80 0.35 4
  81 1.1 11
  86 0.21 2
  87 0.1 1
  92 0.16 2
  93 1.68 17
  98 0.73 7
  99 2.38 24
  100 0.22 2
  105 0.18 2
  106 0.09 1
  110 0.08 1
  111 0.34 3
  112 0.73 7
  113 0.23 2
  117 2.99 30
  118 0.37 4
  119 1.45 15
  120 0.1 1
  123 0.1 1
  124 0.12 1
  129 0.18 2
  130 0.33 3
  131 1.23 12
  132 0.1 1
  137 0.59 6
  141 0.15 2
  143 0.65 7
  148 0.45 5
  149 0.38 4
  150 0.69 7
  155 1.06 11
  161 3.81 38
  162 0.74 7
  163 0.31 3
  164 0.11 1
  167 2.67 27
  168 1.22 12
  169 0.55 6
  176 0.63 6
  177 0.22 2
  178 0.15 2
  181 99.99 999
  182 7.3 73
  183 0.23 2
  194 0.26 3
  195 3.55 36
  196 0.6 6
  197 0.48 5
  203 0.21 2
  206 5.11 51
  207 0.52 5
  223 5.71 57
  224 0.62 6
  233 0.7 7
  234 0.36 4
  236 3.94 39
  237 0.47 5
  238 0.25 3
  253 6.55 66
  254 0.74 7
//