MassBank Record: JP003134



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

ACCESSION: JP003134
RECORD_TITLE: 4-METHOXYPTEROCARPIN; 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$NAME: 4-METHOXYPTEROCARPIN CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H16O6 CH$EXACT_MASS: 328.09469 CH$SMILES: COc(c5)c(OC)c(O4)c(c5)C([H])(O1)C([H])(C4)c(c2)c(cc(O3)c(OC3)2)1 CH$IUPAC: InChI=1S/C18H16O6/c1-19-12-4-3-9-16-11(7-21-17(9)18(12)20-2)10-5-14-15(23-8-22-14)6-13(10)24-16/h3-6,11,16H,7-8H2,1-2H3/t11-,16-/m0/s1
AC$INSTRUMENT: HITACHI RMU-7L AC$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$SPLASH: splash10-004i-0329000000-adfe94d0793d80fb7a88 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 149 16 160 151 4 40 162 15 150 163 5 50 175 6 60 178 2 20 253 4 40 281 12 120 282 6 60 283 4 40 298 6 60 313 20 200 327 3 30 328 99.99 999 329 17 170 //