ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010000
RECORD_TITLE: 4-METHYL-5,6-DIHYDRO-2-PYRONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 4-METHYL-5,6-DIHYDRO-2-PYRONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₈O₂
CH$EXACT_MASS: 112.05243
CH$SMILES: CC(C1)=CC(=O)OC1
CH$IUPAC: InChI=1S/C6H8O2/c1-5-2-3-8-6(7)4-5/h4H,2-3H2,1H3
CH$LINK: COMPTOX DTXSID50178526
CH$LINK: INCHIKEY RPEASMBMVIKUTH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:557445

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-01q9-9300000000-7b008325b519e78dde77
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  26 3.1 31
  27 14.4 144
  28 6.2 62
  29 0.78 8
  32 2.5 25
  37 2.1 21
  38 5.3 53
  39 4.21 42
  40 2.7 27
  41 4.3 43
  42 7.3 73
  43 0.19 2
  45 1.3 13
  50 3.7 37
  51 4.5 45
  52 0.24 2
  53 14.9 149
  54 38.4 384
  55 13.2 132
  67 0.69 7
  69 1.9 19
  82 99.99 999
  83 11.8 118
  89 0.16 2
  111 1.8 18
  112 77.1 771
  113 5.8 58
//