ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005528
RECORD_TITLE: 2,3-TRIMETHYLENE-4-PYRONE; 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$NAME: 2,3-TRIMETHYLENE-4-PYRONE
CH$NAME: 2,3-TRIMETHYLENE-GAMMA-PYRONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O2
CH$EXACT_MASS: 136.05243
CH$SMILES: O=C(C=1)C(C2)=C(CC2)OC1
CH$IUPAC: InChI=1S/C8H8O2/c9-7-4-5-10-8-3-1-2-6(7)8/h4-5H,1-3H2
CH$LINK: INCHIKEY HZEXINHQHZFXBU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60486548
AC$INSTRUMENT: HITACHI RMS-4
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: splash10-000i-9300000000-80997dc861c1e2113788
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
  26 23 230
  27 31 310
  28 13.5 135
  29 5 50
  30 4.5 45
  32 4.5 45
  37 4.5 45
  38 12 120
  39 55 550
  40 19 190
  41 14 140
  42 10 100
  43 8 80
  44 2 20
  45 3 30
  49 3 30
  50 15 150
  51 26 260
  52 21 210
  53 27.5 275
  54 36.5 365
  55 41 410
  56 4.5 45
  57 2 20
  58 2 20
  60 2 20
  61 3.5 35
  62 7.5 75
  63 15 150
  64 6 60
  65 25 250
  66 35.5 355
  67 9 90
  68 7.5 75
  69 10.5 105
  70 3 30
  71 15 150
  72 2 20
  73 2 20
  74 3 30
  75 3 30
  76 4 40
  77 15 150
  78 6 60
  79 29 290
  80 10.5 105
  81 12 120
  82 44.5 445
  83 13.5 135
  84 3 30
  89 3 30
  90 3 30
  91 3 30
  92 2 20
  93 3 30
  94 3 30
  95 3 30
  105 2 20
  106 2 20
  107 15.5 155
  108 13.5 135
  109 9 90
  110 9 90
  111 2 20
  118 2 20
  119 2 20
  120 2 20
  121 5 50
  134 4 40
  135 99.99 999
  136 98.5 985
  137 27 270
  138 4 40
//
