MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009772

1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPTAN-2,3-DIONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009772
RECORD_TITLE: 1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPTAN-2,3-DIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

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CH$NAME: 1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPTAN-2,3-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O₂
CH$EXACT_MASS: 166.09938
CH$SMILES: O=C(C(=O)1)C(C2)C(C)(C)C(C)(C2)1
CH$IUPAC: InChI=1S/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3H3
CH$LINK: INCHIKEY VNQXSTWCDUXYEZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7049394

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AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-014v-9200000000-234b101e2090a7db39bc
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
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//