MassBank Record: JP000325



 CIS-BICYCLO(3.3.0)OCTAN-3,7-DIONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000325
RECORD_TITLE: CIS-BICYCLO(3.3.0)OCTAN-3,7-DIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: CIS-BICYCLO(3.3.0)OCTAN-3,7-DIONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H10O2 CH$EXACT_MASS: 138.06808 CH$SMILES: O=C(C1)CC([H])(C2)C([H])1CC(=O)2 CH$IUPAC: InChI=1S/C8H10O2/c9-7-1-5-2-8(10)4-6(5)3-7/h5-6H,1-4H2
AC$INSTRUMENT: ESCO EMD-05A AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000f-9100000000-27f836d1a21a4dc1cd34 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 37 2.8 28 38 3.9 39 39 36.1 361 40 1.08 11 41 99.99 999 42 17.6 176 43 31.7 317 44 0.34 3 50 4.2 42 51 2.3 23 52 3.5 35 53 1.14 11 54 5.9 59 55 10.9 109 57 2.3 23 58 0.81 8 65 3.1 31 66 2.3 23 67 10.2 102 68 5.91 59 69 26.1 261 70 5.1 51 91 7.9 79 92 0.2 2 95 10.9 109 96 4.3 43 97 5.7 57 110 0.45 5 137 2.5 25 138 42 420 139 5.1 51 //