ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008803
RECORD_TITLE: NONANAL 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$NAME: NONANAL O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₀F₅NO
CH$EXACT_MASS: 337.14651
CH$SMILES: CCCCCCCCC=NOCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C16H20F5NO/c1-2-3-4-5-6-7-8-9-22-23-10-11-12(17)14(19)16(21)15(20)13(11)18/h9H,2-8,10H2,1H3/b22-9-
CH$LINK: INCHIKEY DYTJHXNVXCBNHN-AFPJDJCSSA-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$SPLASH: splash10-001i-8930000000-b74673754b6453d0aedc
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
  41 27.31 273
  42 4.89 49
  43 22.05 221
  44 1.72 17
  46 0.6 6
  51 0.4 4
  53 1.64 16
  54 4.24 42
  55 12.56 126
  56 4.24 42
  57 8 80
  58 2.47 25
  59 0.33 3
  67 2.75 28
  68 1.92 19
  69 9.47 95
  70 2.12 21
  71 2.99 30
  72 0.99 10
  79 1.47 15
  80 0.65 7
  81 3.41 34
  82 5.08 51
  83 4.88 49
  84 1.55 16
  85 1.09 11
  86 1.27 13
  93 1.64 16
  95 1.87 19
  96 4.26 43
  97 2.73 27
  98 2.14 21
  99 2.94 29
  100 0.8 8
  110 2.54 25
  111 0.81 8
  112 0.73 7
  117 2.28 23
  119 1.85 19
  124 0.88 9
  131 0.73 7
  137 0.43 4
  143 0.27 3
  149 0.8 8
  150 1.85 19
  154 0.37 4
  155 0.33 3
  161 3.48 35
  162 0.36 4
  167 1.51 15
  168 1.23 12
  169 0.4 4
  170 5.8 58
  171 0.31 3
  176 0.96 10
  177 3.75 38
  178 1.52 15
  179 0.33 3
  181 99.99 999
  182 0.74 7
  189 0.35 4
  194 0.92 9
  195 3.29 33
  196 0.97 10
  197 1.89 19
  198 3.29 33
  202 1.26 13
  207 0.61 6
  208 0.37 4
  219 0.82 8
  222 4.79 48
  223 0.3 3
  226 0.34 3
  239 38.24 382
  240 3.91 39
  252 1.7 17
//