ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003138
RECORD_TITLE: 3,9,10-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$NAME: 3,9,10-TRIMETHOXYPTEROCARPAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₈O₅
CH$EXACT_MASS: 314.11542
CH$SMILES: COc(c4)cc(O3)c(c4)C([H])(O1)C([H])(C3)c(c2)c(c(OC)c(OC)c2)1
CH$IUPAC: InChI=1S/C18H18O5/c1-19-10-4-5-12-15(8-10)22-9-13-11-6-7-14(20-2)18(21-3)17(11)23-16(12)13/h4-8,13,16H,9H2,1-3H3/t13-,16-/m0/s1
CH$LINK: INCHIKEY RFFNFQZKHNKOPO-BBRMVZONSA-N

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$SPLASH: splash10-03di-0903000000-a36c79f59828ef0083bb
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  115 12 120
  123 11 110
  127 19 190
  128 34 340
  133 25 250
  137 25 250
  139 18 180
  147 14 140
  148 45 450
  151 18 180
  152 9 90
  157 34 340
  161 41 410
  162 10 100
  165 13 130
  166 16 160
  168 9 90
  178 18 180
  185 9 90
  191 10 100
  299 21 210
  313 19 190
  314 99.99 999
  315 16 160
//