ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008816
RECORD_TITLE: CROTONALDEHYDE 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$NAME: CROTONALDEHYDE O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₈F₅NO
CH$EXACT_MASS: 265.05260
CH$SMILES: CC=CC=NOCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C11H8F5NO/c1-2-3-4-17-18-5-6-7(12)9(14)11(16)10(15)8(6)13/h2-4H,5H2,1H3/b3-2+,17-4+
CH$LINK: INCHIKEY QNPFFCQTVXPCLD-GFJWLWTISA-N
CH$LINK: COMPTOX DTXSID00430621

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$SPLASH: splash10-001i-2910000000-5ed9f12747c2890172f4
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  42 2.94 29
  43 17.02 170
  44 7.2 72
  51 1.43 14
  53 1.07 11
  93 2.1 21
  98 0.96 10
  99 2.24 22
  117 3.84 38
  119 0.9 9
  161 5.09 51
  167 1.15 12
  181 99.99 999
  182 8.05 81
  195 2.35 24
  250 18.98 190
  265 3.68 37
//