ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008800
RECORD_TITLE: HEXANAL 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$NAME: HEXANAL O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₄F₅NO
CH$EXACT_MASS: 295.09956
CH$SMILES: CCCCCC=NOCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C13H14F5NO/c1-2-3-4-5-6-19-20-7-8-9(14)11(16)13(18)12(17)10(8)15/h6H,2-5,7H2,1H3/b19-6-
CH$LINK: INCHIKEY GPAVMFOMYSGJDM-SWNXQHNESA-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$SPLASH: splash10-001i-3920000000-f356f6363e8b091d8378
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  41 13.65 137
  42 2.82 28
  43 9.3 93
  44 0.56 6
  51 0.58 6
  53 0.79 8
  54 1.96 20
  55 5 50
  56 1.09 11
  57 2.23 22
  58 1.05 11
  68 1.26 13
  69 2.3 23
  70 0.19 2
  71 0.87 9
  72 0.15 2
  75 0.58 6
  79 0.43 4
  81 1.44 14
  82 0.57 6
  83 0.91 9
  86 0.48 5
  93 1.07 11
  98 0.69 7
  99 2.1 21
  112 0.23 2
  114 1.94 19
  117 2.03 20
  119 1.33 13
  131 0.78 8
  137 0.16 2
  143 0.25 3
  148 0.16 2
  149 0.24 2
  150 0.74 7
  155 0.61 6
  161 3.22 32
  162 0.58 6
  167 2.11 21
  168 1.02 10
  169 0.26 3
  176 1.53 15
  177 1.7 17
  178 0.27 3
  179 0.45 5
  181 99.99 999
  182 7.49 75
  189 0.47 5
  194 0.18 2
  195 3.44 34
  196 0.74 7
  197 0.76 8
  198 1.21 12
  207 1.9 19
  209 0.29 3
  222 2.94 29
  223 0.67 7
  239 19.5 195
  240 1.8 18
  252 2.35 24
  253 0.22 2
  267 0.21 2
  278 0.57 6
  295 0.33 3
//