ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
CH$LINK: INCHIKEY FNOOADLKGGWRGC-ZBEGNZNMSA-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$SPLASH: splash10-004i-0329000000-adfe94d0793d80fb7a88
PK$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
//