MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001961

3,3-DIMETHYLHEX-5-EN-2-ONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001961
RECORD_TITLE: 3,3-DIMETHYLHEX-5-EN-2-ONE; 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

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CH$NAME: 3,3-DIMETHYLHEX-5-EN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O
CH$EXACT_MASS: 126.10447
CH$SMILES: C=CCC(C)(C)C(C)=O
CH$IUPAC: InChI=1S/C8H14O/c1-5-6-8(3,4)7(2)9/h5H,1,6H2,2-4H3
CH$LINK: INCHIKEY AICKKCPBGSMRJG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00504134

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0a4i-9100000000-2e562c82393b7adc577b
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  41 3.04 30
  43 47.63 476
  53 2.78 28
  55 99.99 999
  56 5.13 51
  57 3.81 38
  65 1.46 15
  67 8.58 86
  68 1.43 14
  69 3.04 30
  71 2.55 26
  81 1.57 16
  82 8.72 87
  83 47.14 471
  84 3.47 35
  85 1 10
  93 3.7 37
  108 10.59 106
  111 10.24 102
  126 7.09 71
//