MassBank Record: JP003136



 3,8,9-TRIMETHOXYPTEROCARPAN; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003136
RECORD_TITLE: 3,8,9-TRIMETHOXYPTEROCARPAN; 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$NAME: 3,8,9-TRIMETHOXYPTEROCARPAN CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H18O5 CH$EXACT_MASS: 314.11542 CH$SMILES: COc(c4)cc(O3)c(c4)C([H])(O1)C([H])(C3)c(c2)c(cc(OC)c(OC)2)1 CH$IUPAC: InChI=1S/C18H18O5/c1-19-10-4-5-11-14(6-10)22-9-13-12-7-16(20-2)17(21-3)8-15(12)23-18(11)13/h4-8,13,18H,9H2,1-3H3/t13-,18-/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$SPLASH: splash10-03di-0429000000-372b77cb77ccc9b6dd69 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 115 5 50 127 4 40 133 5 50 135 4 40 137 4 40 148 26 260 161 9 90 178 10 100 191 4 40 211 5 50 271 4 40 299 23 230 313 13 130 314 99.99 999 315 17 170 //