ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008797
RECORD_TITLE: PROPYRALDEHYDE 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$NAME: PROPYRALDEHYDE O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₈F₅NO
CH$EXACT_MASS: 253.05260
CH$SMILES: CCC=NOCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C10H8F5NO/c1-2-3-16-17-4-5-6(11)8(13)10(15)9(14)7(5)12/h3H,2,4H2,1H3/b16-3+
CH$LINK: INCHIKEY BOPZGAUHLLBMFA-HQYXKAPLSA-N
CH$LINK: COMPTOX DTXSID40430620

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$SPLASH: splash10-001i-1910000000-352313446d1354af92f4
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  41 2.65 27
  42 1.59 16
  43 0.25 3
  44 3.1 31
  45 0.41 4
  49 0.15 2
  50 0.1 1
  51 0.91 9
  52 0.25 3
  54 1.36 14
  55 0.27 3
  56 0.49 5
  57 0.29 3
  61 0.25 3
  62 0.27 3
  68 0.21 2
  69 1.83 18
  72 1.11 11
  74 0.36 4
  75 1.24 12
  79 0.57 6
  80 0.44 4
  81 1.35 14
  86 0.25 3
  92 0.19 2
  93 2 20
  98 0.94 9
  99 3.31 33
  100 0.14 1
  111 0.33 3
  112 0.88 9
  113 0.22 2
  117 3.67 37
  118 0.36 4
  119 2.04 20
  129 0.21 2
  130 0.36 4
  131 1.45 15
  137 0.66 7
  143 0.79 8
  148 0.64 6
  149 0.71 7
  150 1.19 12
  151 0.17 2
  155 1.15 12
  161 4.77 48
  162 1 10
  163 0.16 2
  167 3.09 31
  168 1.4 14
  169 0.65 7
  177 1.01 10
  178 0.55 6
  179 0.33 3
  181 99.99 999
  182 0.73 7
  183 0.13 1
  195 3.89 39
  196 0.61 6
  197 0.67 7
  198 0.42 4
  223 3.21 32
  224 0.22 2
  236 14.3 143
  237 1.57 16
  253 1.14 11
//