ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002252
RECORD_TITLE: 3-(3-METHYL-3-BUTENYL)HEPTA-2,6-DIONE; 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$NAME: 3-(3-METHYL-3-BUTENYL)HEPTA-2,6-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H20O2
CH$EXACT_MASS: 196.14633
CH$SMILES: CC(=C)CCC(CCC(C)=O)C(C)=O
CH$IUPAC: InChI=1S/C12H20O2/c1-9(2)5-7-12(11(4)14)8-6-10(3)13/h12H,1,5-8H2,2-4H3
CH$LINK: INCHIKEY UIPLNRWNRUEEPE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:101621337
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$SPLASH: splash10-004i-2900000000-25ac693cdc7acee56329
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  43 3.3 33
  71 17.03 170
  72 2.61 26
  85 5.77 58
  86 2.32 23
  93 7.11 71
  95 22.41 224
  96 2.62 26
  97 2.66 27
  99 2.97 30
  100 3.36 34
  105 8.76 88
  106 2.09 21
  107 6.4 64
  108 5.15 52
  109 2.75 28
  110 4.27 43
  111 2.84 28
  113 3.08 31
  118 2.89 29
  119 4.51 45
  120 19.95 200
  121 6.94 69
  123 7.95 80
  125 10.03 100
  126 3.46 35
  128 99.99 999
  129 8.6 86
  135 7.58 76
  138 7.76 78
  139 9.81 98
  141 11.27 113
  145 9.79 98
  153 2.6 26
  158 3.5 35
  160 10.99 110
  178 9.9 99
  196 9.71 97
//
