MassBank Record: JP003114



 ISOHALFORDIN; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003114
RECORD_TITLE: ISOHALFORDIN; EI-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$NAME: ISOHALFORDIN CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H12O6 CH$EXACT_MASS: 276.06339 CH$SMILES: COC(C(=O)3)=C(OC)c(c1)c(O3)c(OC)c(o2)c(cc2)1 CH$IUPAC: InChI=1S/C14H12O6/c1-16-10-8-6-7-4-5-19-9(7)12(17-2)11(8)20-14(15)13(10)18-3/h4-6H,1-3H3
AC$INSTRUMENT: AEI-GEC MS-902 AC$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$SPLASH: splash10-004i-0190000000-19456518a9aa4e2181fb PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 91 4 40 119 4 40 147 11 110 162 6 60 175 4 40 190 12 120 233 45 450 247 4 40 261 10 100 276 99.99 999 277 18 180 //