ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003203
RECORD_TITLE: 3,5-DIMETHYL-4-PYRONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKATA H, DEPT. OF CHEMISTRY, AICHI KYOIKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 3,5-DIMETHYL-4-PYRONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H8O2
CH$EXACT_MASS: 124.05243
CH$SMILES: CC(=C1)C(=O)C(C)=CO1
CH$IUPAC: InChI=1S/C7H8O2/c1-5-3-9-4-6(2)7(5)8/h3-4H,1-2H3
CH$LINK: INCHIKEY TYNBCLRVUQVAEV-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-6D
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: splash10-05fs-9400000000-d485734aac4c142e77e1
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  41 5 50
  53 7 70
  55 7 70
  56 56 560
  63 5 50
  67 9 90
  68 5 50
  69 7 70
  81 6 60
  83 10 100
  84 13 130
  85 7 70
  94 5 50
  95 40 400
  96 13 130
  124 99.99 999
  125 7 70
//
