ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003201
RECORD_TITLE: 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$NAME: 4-PYRONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₄O₂
CH$EXACT_MASS: 96.02113
CH$SMILES: O=C(C=1)C=COC1
CH$IUPAC: InChI=1S/C5H4O2/c6-5-1-3-7-4-2-5/h1-4H
CH$LINK: INCHIKEY CVQUWLDCFXOXEN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20148352

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$SPLASH: splash10-00kb-9000000000-6e2f49ee28d4adf85bb5
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  40 8 80
  41 6 60
  42 37 370
  44 6 60
  50 5 50
  53 7 70
  68 25 250
  69 50 500
  70 40 400
  71 5 50
  96 99.99 999
  97 5 50
//