ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007734
RECORD_TITLE: 2-OCTYLFURAN; 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$NAME: 2-OCTYLFURAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H20O
CH$EXACT_MASS: 180.15142
CH$SMILES: CCCCCCCCc(c1)occ1
CH$IUPAC: InChI=1S/C12H20O/c1-2-3-4-5-6-7-9-12-10-8-11-13-12/h8,10-11H,2-7,9H2,1H3
CH$LINK: CAS 4179-38-8
CH$LINK: INCHIKEY RADIRWIUSSENFC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80194613
AC$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: splash10-001i-9100000000-646e4a592715a3e0e148
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  29 3.28 33
  39 1.02 10
  41 6.33 63
  43 9.82 98
  53 6.15 62
  54 1.86 19
  55 4.26 43
  57 9.05 91
  67 6.64 66
  68 5.91 59
  69 2.9 29
  79 1.74 17
  80 4.38 44
  81 99.99 999
  82 56.85 569
  83 5.46 55
  84 1.06 11
  94 3.76 38
  95 37.31 373
  96 9.7 97
  109 3.49 35
  110 1.03 10
  123 12.69 127
  124 4.93 49
  136 2.74 27
  137 6.28 63
  151 2.16 22
  180 16.62 166
  181 1.04 10
//
