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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000754

8-METHYL-3-OXO-2-OXABICYCLO(4.4.0)DECA-4,9-DIENE-6,8-CARBOLACTONE; FD-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000754
RECORD_TITLE: 8-METHYL-3-OXO-2-OXABICYCLO(4.4.0)DECA-4,9-DIENE-6,8-CARBOLACTONE; FD-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 8-METHYL-3-OXO-2-OXABICYCLO(4.4.0)DECA-4,9-DIENE-6,8-CARBOLACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H10O4
CH$EXACT_MASS: 206.05791
CH$SMILES: O=C(C=3)OC(C=2)C(C3)(C1)C(=O)OC(C)(C2)1
CH$IUPAC: InChI=1S/C11H10O4/c1-10-4-2-7-11(6-10,9(13)15-10)5-3-8(12)14-7/h2-5,7H,6H2,1H3
CH$LINK: INCHIKEY CKKDYPCQXYYSIM-UHFFFAOYSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: FD-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0bt9-8960000000-2fbe307980afa1c82b72
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  58 84.5 845
  59 14.5 145
  162 99.99 999
  163 11 110
  207 16.5 165
  208 60 600
//

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