ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008812
RECORD_TITLE: BENZALDEHYDE 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$NAME: BENZALDEHYDE O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₈F₅NO
CH$EXACT_MASS: 301.05260
CH$SMILES: c(c2)ccc(c2)C=NOCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C14H8F5NO/c15-10-9(11(16)13(18)14(19)12(10)17)7-21-20-6-8-4-2-1-3-5-8/h1-6H,7H2/b20-6+
CH$LINK: INCHIKEY UKSAZCDAGVHMRF-CGOBSMCZSA-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$SPLASH: splash10-001i-7901000000-9dd18da2d981e1de5425
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  43 0.17 2
  44 3.09 31
  49 0.23 2
  50 6.45 65
  51 15.31 153
  52 2.26 23
  53 0.21 2
  57 0.18 2
  62 1.3 13
  63 4.59 46
  64 2.79 28
  65 14.74 147
  66 1.3 13
  69 1.75 18
  74 1.95 20
  75 3.18 32
  76 4.87 49
  77 14.33 143
  78 1.54 15
  79 0.5 5
  80 0.46 5
  81 1.18 12
  88 0.19 2
  89 8.99 90
  90 3.35 34
  92 3.78 38
  93 2.82 28
  98 0.61 6
  99 3.85 39
  102 0.9 9
  103 6.54 65
  104 1.88 19
  112 0.58 6
  117 3.83 38
  119 1.49 15
  120 0.81 8
  131 0.97 10
  137 0.19 2
  143 0.41 4
  150 0.52 5
  155 0.78 8
  161 3.91 39
  167 2.31 23
  168 0.74 7
  177 0.28 3
  181 99.99 999
  182 7.22 72
  195 2.46 25
  198 0.25 3
  258 1.18 12
  271 6.9 69
  272 0.81 8
  284 0.32 3
  300 2.66 27
  301 13.64 136
  302 1.69 17
//