ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000911
RECORD_TITLE: 2,3-DIHYDRO-2-HEXYL-5-METHYLFURAN-3-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KAMEOKA H, DEPT. OF APPLIED CHEMISTRY, FAC. OF SCI. AND ENGINEERING, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 2,3-DIHYDRO-2-HEXYL-5-METHYLFURAN-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H18O2
CH$EXACT_MASS: 182.13068
CH$SMILES: CCCCCCC(O1)C(=O)C=C(C)1
CH$IUPAC: InChI=1S/C11H18O2/c1-3-4-5-6-7-11-10(12)8-9(2)13-11/h8,11H,3-7H2,1-2H3
CH$LINK: INCHIKEY AAUWBAWSKVOBFL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90340740
AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$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$SPLASH: splash10-01ot-9200000000-4ff289414ebf1926a506
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  39 20.3 203
  40 20 200
  41 25.8 258
  42 0.62 6
  43 2.2 22
  55 10.6 106
  56 4.1 41
  57 0.6 6
  67 2.6 26
  68 17 170
  69 7.6 76
  70 0.2 2
  71 4.6 46
  85 6.4 64
  97 5.4 54
  98 99.99 999
  99 5.8 58
  111 52.2 522
  112 4 40
  182 4 40
//
