MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012090

6-METHYL-6-VINYLDODECANE-5,8-DIONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012090
RECORD_TITLE: 6-METHYL-6-VINYLDODECANE-5,8-DIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, INSTITUTE FOR CHEMICAL REACTION SCIENCE TOHOKU UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: 6-METHYL-6-VINYLDODECANE-5,8-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₆O₂
CH$EXACT_MASS: 238.19328
CH$SMILES: CCCCC(=O)CC(C)(C=C)C(=O)CCCC
CH$IUPAC: InChI=1S/C15H26O2/c1-5-8-10-13(16)12-15(4,7-3)14(17)11-9-6-2/h7H,3,5-6,8-12H2,1-2,4H3
CH$LINK: INCHIKEY REOULBHPBOSYMQ-UHFFFAOYSA-N

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AC$INSTRUMENT: JEOL JMS-DX-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-052r-9100000000-9c4df35e6c188e35a7a5
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  39 1.9 19
  41 13.1 131
  42 1 10
  43 1.9 19
  53 1.4 14
  55 2.5 25
  57 61.5 615
  58 3.1 31
  67 1.9 19
  68 1.9 19
  85 99.99 999
  86 6.6 66
  94 1.5 15
  97 2.1 21
  138 12.5 125
  139 2.1 21
  153 8.7 87
  154 1.7 17
  181 1.3 13
  238 3.7 37
//