ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004745
RECORD_TITLE: 2,3,5-TRIMETHYLCYCLOPENT-2-ENONE; 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$NAME: 2,3,5-TRIMETHYLCYCLOPENT-2-ENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H12O
CH$EXACT_MASS: 124.08882
CH$SMILES: CC(C1)=C(C)C(=O)C(C)1
CH$IUPAC: InChI=1S/C8H12O/c1-5-4-6(2)8(9)7(5)3/h6H,4H2,1-3H3
CH$LINK: INCHIKEY HNZWNWPTJZTRTK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00969800
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$SPLASH: splash10-0a4i-9600000000-7919e132429a553a629a
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  41 20.84 208
  42 5.19 52
  43 46.52 465
  50 3 30
  51 6.43 64
  52 3.89 39
  53 17.72 177
  54 12.62 126
  55 12.02 120
  56 3.27 33
  57 38.56 386
  65 3.71 37
  67 18.09 181
  68 5.48 55
  71 4.84 48
  77 4.09 41
  79 11.86 119
  81 55.27 553
  82 4.51 45
  85 3.49 35
  95 3.69 37
  96 15.46 155
  109 99.99 999
  110 7.48 75
  113 21.42 214
  123 8.52 85
  124 63.76 638
  125 6.1 61
//
