ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008802
RECORD_TITLE: OCTANAL 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$NAME: OCTANAL O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₈F₅NO
CH$EXACT_MASS: 323.13086
CH$SMILES: CCCCCCCC=NOCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C15H18F5NO/c1-2-3-4-5-6-7-8-21-22-9-10-11(16)13(18)15(20)14(19)12(10)17/h8H,2-7,9H2,1H3/b21-8-
CH$LINK: INCHIKEY RLSQIXNUITTXKZ-WNFQYIGGSA-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$SPLASH: splash10-001i-6920000000-ce2f69f257e756174b77
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
  41 22.74 227
  42 3.79 38
  43 14.45 145
  44 0.78 8
  46 0.64 6
  51 0.54 5
  53 0.99 10
  54 3.57 36
  55 10.87 109
  56 3.05 31
  57 6.66 67
  58 2.23 22
  67 2.24 22
  68 0.96 10
  69 6.67 67
  70 0.86 9
  71 0.53 5
  72 0.65 7
  75 0.7 7
  79 1.02 10
  80 0.3 3
  81 2.03 20
  82 5.68 57
  83 2.73 27
  84 0.34 3
  86 0.66 7
  93 1.34 13
  96 2.52 25
  97 0.77 8
  98 0.97 10
  99 3.17 32
  109 0.92 9
  110 0.62 6
  111 0.77 8
  112 0.29 3
  114 0.32 3
  117 2.6 26
  119 1.5 15
  131 0.86 9
  142 2.85 29
  143 0.62 6
  149 0.63 6
  150 1.78 18
  155 0.31 3
  161 3.55 36
  162 0.27 3
  167 2.11 21
  168 0.8 8
  169 0.26 3
  176 0.92 9
  177 3.36 34
  178 1.27 13
  179 0.57 6
  181 99.99 999
  182 7.16 72
  194 0.99 10
  195 3.42 34
  196 1.16 12
  197 1.11 11
  198 3.02 30
  202 0.86 9
  207 5.99 60
  219 0.3 3
  222 4.21 42
  239 32 320
  240 2.62 26
  252 1.44 14
//