MassBank Record: JP003117



 HALFORDIN (14-CD3); EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003117
RECORD_TITLE: HALFORDIN (14-CD3); 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$NAME: HALFORDIN (14-CD3) CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H12O6 CH$EXACT_MASS: 276.06339 CH$SMILES: [2H]C([2H])([2H])OC(C(=O)3)=C(OC)c(c(O3)1)c(OC)c(c2)c(oc2)c1 CH$IUPAC: InChI=1S/C14H12O6/c1-16-11-7-4-5-19-8(7)6-9-10(11)12(17-2)13(18-3)14(15)20-9/h4-6H,1-3H3/i3D3
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$SPLASH: splash10-004r-0290000000-138f0117ccc0ad58fb49 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 119 3 30 147 9 90 175 7 70 190 18 180 193 4 40 221 6 60 236 51 510 261 3 30 264 20 200 279 99.99 999 //