ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008801
RECORD_TITLE: HEPTANAL 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$NAME: HEPTANAL O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₆F₅NO
CH$EXACT_MASS: 309.11521
CH$SMILES: CCCCCCC=NOCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C14H16F5NO/c1-2-3-4-5-6-7-20-21-8-9-10(15)12(17)14(19)13(18)11(9)16/h7H,2-6,8H2,1H3/b20-7-
CH$LINK: INCHIKEY OZZBQOMRSSEYJF-SCDVKCJHSA-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$SPLASH: splash10-001i-5920000000-74fca531d030c6ca1992
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
  41 21.17 212
  42 3.56 36
  43 16.45 165
  44 1.57 16
  45 0.42 4
  46 0.96 10
  51 0.9 9
  52 0.44 4
  53 1.36 14
  54 2.25 23
  55 7.63 76
  56 2.54 25
  57 2.82 28
  58 2.76 28
  59 0.42 4
  60 0.53 5
  67 1.15 12
  68 1.53 15
  69 3.89 39
  70 1.03 10
  71 1.31 13
  72 1.08 11
  75 1.01 10
  79 0.61 6
  80 0.59 6
  81 1.46 15
  82 3.45 35
  83 1.83 18
  84 0.59 6
  86 0.98 10
  93 1.79 18
  95 1.87 19
  96 0.6 6
  97 1.47 15
  98 1.04 10
  99 2.44 24
  100 1.4 14
  111 0.54 5
  112 0.99 10
  117 2.31 23
  119 1.78 18
  128 4.47 45
  129 0.54 5
  131 1.17 12
  137 0.57 6
  143 0.79 8
  149 0.82 8
  150 1.24 12
  155 0.94 9
  161 3.77 38
  162 0.84 8
  163 0.5 5
  167 2.25 23
  168 1.02 10
  169 0.64 6
  176 0.54 5
  177 2.36 24
  178 1.05 11
  179 0.68 7
  181 99.99 999
  182 7.16 72
  189 0.54 5
  190 0.62 6
  194 0.9 9
  195 3 30
  196 0.99 10
  197 1.37 14
  198 1.58 16
  202 1.39 14
  207 6.53 65
  208 0.82 8
  219 0.88 9
  222 3.58 36
  239 29.95 300
  240 2.94 29
  252 1.21 12
  281 0.78 8
//