ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001125
RECORD_TITLE: 2,3-DIMETHYLCYCLOPENT-2-EN-1-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 2,3-DIMETHYLCYCLOPENT-2-EN-1-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H10O
CH$EXACT_MASS: 110.07316
CH$SMILES: CC(C1)=C(C)C(=O)C1
CH$IUPAC: InChI=1S/C7H10O/c1-5-3-4-7(8)6(5)2/h3-4H2,1-2H3
CH$LINK: INCHIKEY UZLQSPYGTUMKGS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80149901
AC$INSTRUMENT: HITACHI RMU-7L
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 80 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0gb9-9000000000-2edd32c0b03c060d6fb1
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  26 6 60
  27 38 380
  28 12 120
  29 8 80
  32 2 20
  37 2 20
  38 5 50
  39 48 480
  40 10 100
  41 31 310
  42 7 70
  43 10 100
  50 8 80
  51 15 150
  52 9 90
  53 23 230
  54 25 250
  55 10 100
  56 5 50
  57 3 30
  62 2 20
  63 5 50
  64 1 10
  65 9 90
  66 5 50
  67 99.99 999
  68 10 100
  69 3 30
  77 5 50
  78 2 20
  79 8 80
  80 3 30
  81 13 130
  82 12 120
  83 3 30
  91 2 20
  95 18 180
  96 3 30
  99 2 20
  109 7 70
  110 35 350
  111 6 60
//
