MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004626

1,5-DIMETHYLBICYCLO(3.2.2)NON-6-EN-2-ONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004626
RECORD_TITLE: 1,5-DIMETHYLBICYCLO(3.2.2)NON-6-EN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: 1,5-DIMETHYLBICYCLO(3.2.2)NON-6-EN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₆O
CH$EXACT_MASS: 164.12012
CH$SMILES: O=C(C2)C(C)(C1)C([H])=C([H])C(C)(C2)C1
CH$IUPAC: InChI=1S/C11H16O/c1-10-4-3-9(12)11(2,7-5-10)8-6-10/h5,7H,3-4,6,8H2,1-2H3
CH$LINK: INCHIKEY YKRRCQKDFJAWKA-UHFFFAOYSA-N

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AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0a4l-4900000000-950dd23d12fe89aa92f4
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  18 15 150
  28 9.1 91
  43 8.2 82
  58 0.59 6
  67 5.4 54
  77 9.2 92
  79 9 90
  81 1.01 10
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  93 98.9 989
  94 15.3 153
  105 1.52 15
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  121 14.4 144
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//