ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008815
RECORD_TITLE: ACROLEIN 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$NAME: ACROLEIN O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₆F₅NO
CH$EXACT_MASS: 251.03695
CH$SMILES: C=CC=NOCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C10H6F5NO/c1-2-3-16-17-4-5-6(11)8(13)10(15)9(14)7(5)12/h2-3H,1,4H2/b16-3+
CH$LINK: INCHIKEY ICDUEGOPUWNJNF-HQYXKAPLSA-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$SPLASH: splash10-001i-2900000000-798e0302bb63189e9d93
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  42 4.93 49
  43 0.86 9
  44 10.1 101
  49 0.36 4
  51 1.47 15
  52 2.12 21
  53 1.08 11
  55 0.36 4
  56 0.34 3
  57 0.39 4
  69 2.44 24
  70 0.66 7
  75 1.85 19
  81 2.06 21
  93 3.43 34
  98 1.1 11
  99 5.13 51
  112 0.59 6
  117 5.95 60
  119 2.28 23
  131 1.21 12
  155 0.41 4
  161 6.13 61
  162 0.73 7
  167 3.28 33
  168 0.4 4
  181 99.99 999
  182 9.93 99
  195 3.35 34
  197 0.37 4
  221 2.53 25
  250 5.19 52
  251 6.53 65
//