ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008817
RECORD_TITLE: 2-HEPTENAL 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$NAME: 2-HEPTENAL O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H14F5NO
CH$EXACT_MASS: 307.09956
CH$SMILES: CCCCC=CC=NOCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C14H14F5NO/c1-2-3-4-5-6-7-20-21-8-9-10(15)12(17)14(19)13(18)11(9)16/h5-7H,2-4,8H2,1H3/b6-5+,20-7+
CH$LINK: INCHIKEY PEYJSQOBEFLESI-RGQKVHTQSA-N
AC$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-6910000000-91ef3473ff6e6afb3d20
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  42 2.71 27
  43 10.02 100
  44 12.18 122
  51 0.88 9
  53 5.24 52
  54 5.7 57
  55 5.34 53
  56 2.84 28
  57 11.5 115
  67 4.32 43
  69 2.95 30
  80 2.61 26
  81 1.32 13
  84 1.49 15
  85 2.72 27
  99 3.04 30
  117 1.34 13
  126 1.57 16
  161 1.43 14
  181 99.99 999
  182 6.23 62
  250 17.17 172
//
