ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008795
RECORD_TITLE: FORMALDEHYDE 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$NAME: FORMALDEHYDE O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₄F₅NO
CH$EXACT_MASS: 225.02130
CH$SMILES: C=NOCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C8H4F5NO/c1-14-15-2-3-4(9)6(11)8(13)7(12)5(3)10/h1-2H2
CH$LINK: INCHIKEY SRTQFRQWTUMMTC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10345191

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$SPLASH: splash10-001i-1900000000-f686f67591265a2e3c97
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  43 0.62 6
  44 3.06 31
  49 0.18 2
  50 0.11 1
  51 1.17 12
  55 0.28 3
  56 0.31 3
  57 0.41 4
  61 0.49 5
  62 0.51 5
  68 0.47 5
  69 2.94 29
  74 0.75 8
  75 1.9 19
  79 1.23 12
  80 0.8 8
  81 2 20
  86 0.49 5
  92 0.35 4
  93 3.28 33
  98 1.66 17
  99 4.54 45
  100 0.26 3
  105 0.31 3
  110 0.17 2
  111 0.68 7
  112 1.22 12
  113 0.36 4
  117 5.71 57
  118 0.66 7
  119 2.52 25
  120 0.11 1
  123 0.18 2
  124 0.13 1
  129 0.37 4
  130 0.66 7
  131 2.45 25
  132 0.14 1
  137 0.93 9
  141 0.16 2
  143 1.02 10
  148 0.8 8
  149 0.89 9
  150 1.46 15
  151 0.2 2
  155 1.82 18
  161 7.22 72
  162 1.69 17
  163 0.15 2
  167 4.28 43
  168 1.81 18
  169 0.57 6
  176 0.1 1
  177 0.64 6
  178 0.47 5
  179 0.37 4
  181 99.99 999
  182 7.46 75
  183 0.18 2
  195 11.38 114
  196 1.38 14
  197 0.61 6
  198 0.57 6
  225 0.13 1
//