MassBank Record: JP000762



 3,7-BIS(BROMOMETHYL)TROPOLONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000762
RECORD_TITLE: 3,7-BIS(BROMOMETHYL)TROPOLONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 3,7-BIS(BROMOMETHYL)TROPOLONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H8Br2O2 CH$EXACT_MASS: 305.88910 CH$SMILES: BrCC(C=1)=C(O)C(=O)C(CBr)=CC1 CH$IUPAC: InChI=1S/C9H8Br2O2/c10-4-6-2-1-3-7(5-11)9(13)8(6)12/h1-3H,4-5H2,(H,12,13)
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014i-4920000000-80625f04a896e85308ac PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 65 17.5 175 79 3.5 35 80 8.5 85 81 0.3 3 82 9 90 89 4.5 45 90 4 40 91 5.8 58 92 6 60 119 99.99 999 120 9 90 148 4.7 47 149 7 70 198 5 50 200 4 40 227 2.1 21 228 3.5 35 229 21.5 215 230 2 20 306 0.35 4 308 7 70 310 3 30 //