ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007742
RECORD_TITLE: 2-OCTANOYLFURAN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: 2-OCTANOYLFURAN
CH$NAME: 1-(2-FURANYL)-1-OCTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H18O2
CH$EXACT_MASS: 194.13068
CH$SMILES: CCCCCCCC(=O)c(o1)c([H])c([H])c([H])1
CH$IUPAC: InChI=1S/C12H18O2/c1-2-3-4-5-6-8-11(13)12-9-7-10-14-12/h7,9-10H,2-6,8H2,1H3
CH$LINK: CAS 5456-77-9
CH$LINK: INCHIKEY OQMUCISCOICEGC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10281424
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03dj-9800000000-64d76a99517fe7df70f9
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  27 1.85 19
  29 7.96 80
  39 8.83 88
  40 1.01 10
  41 12.02 120
  42 3.11 31
  43 9.98 100
  53 1.96 20
  55 14.95 150
  56 1.92 19
  57 3.02 30
  61 1 10
  67 3.88 39
  68 8.64 86
  69 2.32 23
  70 1.03 10
  79 1.01 10
  80 1.01 10
  81 6.82 68
  82 3.97 40
  83 1 10
  84 1.01 10
  94 1.83 18
  95 65.16 652
  96 4.52 45
  97 3.98 40
  98 1 10
  109 1.02 10
  110 99.99 999
  111 17.83 178
  112 1.02 10
  123 32.53 325
  124 3.96 40
  137 1.03 10
  151 2.91 29
  152 1.01 10
  194 0.82 8
//
