ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007552
RECORD_TITLE: DIHYDROISOJASMONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: DIHYDROISOJASMONE
CH$NAME: 3-METHYL-2-(3-METHYLBUTYL)-2-CYCLOPENTEN-1-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₈O
CH$EXACT_MASS: 166.13577
CH$SMILES: CCCCCCC(=C([H])1)C(=O)CC1
CH$IUPAC: InChI=1S/C11H18O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h8H,2-7,9H2,1H3
CH$LINK: INCHIKEY VGECIEOJXLMWGO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3052640

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$SPLASH: splash10-0002-9400000000-1d0b4fe76ae81aa3ca02
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  28 5.17 52
  29 4.05 41
  41 10 100
  43 18.78 188
  54 4.66 47
  55 13.19 132
  67 26.88 269
  68 23.1 231
  81 17.56 176
  84 10.43 104
  96 89.95 900
  97 99.99 999
  109 37.34 373
  110 23.63 236
  123 35.19 352
  124 8.36 84
  137 32.08 321
  138 5.76 58
  151 3.39 34
  165 3.68 37
  166 21.92 219
  167 2.65 27
//