ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008798
RECORD_TITLE: BUTYRALDEHYDE 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$NAME: BUTYRALDEHYDE O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₀F₅NO
CH$EXACT_MASS: 267.06825
CH$SMILES: CCCC=NOCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C11H10F5NO/c1-2-3-4-17-18-5-6-7(12)9(14)11(16)10(15)8(6)13/h4H,2-3,5H2,1H3/b17-4+
CH$LINK: INCHIKEY MDJOICYRBFIYJJ-HAVNEIBRSA-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$SPLASH: splash10-001i-2910000000-80fad4928f823ddb34ae
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  41 12.14 121
  42 2.48 25
  43 7.29 73
  44 1.46 15
  45 0.73 7
  51 0.74 7
  53 0.23 2
  54 0.33 3
  55 1.16 12
  56 0.65 7
  57 0.53 5
  58 0.42 4
  62 0.18 2
  68 0.45 5
  69 2.18 22
  70 0.28 3
  74 0.11 1
  75 0.85 9
  79 0.37 4
  80 0.35 4
  81 0.99 10
  86 2.33 23
  93 1.36 14
  98 0.52 5
  99 2.14 21
  111 0.21 2
  112 0.64 6
  117 2.36 24
  118 0.21 2
  119 1.29 13
  130 0.2 2
  131 1.17 12
  137 0.44 4
  143 0.64 6
  148 0.35 4
  149 0.5 5
  150 0.85 9
  151 0.2 2
  155 0.88 9
  161 3.39 34
  162 0.68 7
  163 0.24 2
  167 1.94 19
  168 1.04 10
  169 0.44 4
  176 0.3 3
  177 0.99 10
  178 0.47 5
  179 0.49 5
  181 99.99 999
  182 7.59 76
  183 0.11 1
  195 5.33 53
  196 1.03 10
  197 0.54 5
  198 0.8 8
  207 0.53 5
  222 0.62 6
  239 16.51 165
  240 1.54 15
  250 1.41 14
  252 0.34 3
  267 0.63 6
//