ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004789
RECORD_TITLE: 4-METHYL-6-HEPTEN-4-OLIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 4-METHYL-6-HEPTEN-4-OLIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₂O₂
CH$EXACT_MASS: 140.08373
CH$SMILES: C=CCC(C)(C1)OC(=O)C1
CH$IUPAC: InChI=1S/C8H12O2/c1-3-5-8(2)6-4-7(9)10-8/h3H,1,4-6H2,2H3
CH$LINK: INCHIKEY HSHSOYVJJCKZDP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70472038

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0002-9000000000-49b20d696fe378e75179
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  55 2.64 26
  57 7.89 79
  67 1.5 15
  69 1.17 12
  71 12.31 123
  79 1.78 18
  81 2.94 29
  85 1.83 18
  99 99.99 999
  100 6.14 61
  125 1.85 19
  140 0.52 5
//