ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008818
RECORD_TITLE: 2-HEXENAL 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$NAME: 2-HEXENAL O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H12F5NO
CH$EXACT_MASS: 293.08391
CH$SMILES: CCCC=CC=NOCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C13H12F5NO/c1-2-3-4-5-6-19-20-7-8-9(14)11(16)13(18)12(17)10(8)15/h4-6H,2-3,7H2,1H3/b5-4+,19-6+
CH$LINK: INCHIKEY UFLHMANGSVRSPF-QZRSKMOPSA-N
AC$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-5910000000-7578d910e46c4c7bd626
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  42 9.72 97
  43 16.02 160
  44 10.45 105
  51 0.72 7
  52 0.6 6
  53 5.58 56
  54 8.18 82
  55 2.41 24
  57 1 10
  67 2.88 29
  69 0.85 9
  70 1.32 13
  71 4.67 47
  80 3.55 36
  81 0.95 10
  93 1.99 20
  99 2.92 29
  112 2.28 23
  117 3.19 32
  150 0.65 7
  161 2.17 22
  167 1.03 10
  181 99.99 999
  182 6.5 65
  195 0.95 10
  250 17.18 172
//
