ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
CH$LINK: INCHIKEY RTGGRWVCSFXHGP-UGSOOPFHSA-N
AC$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-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
//
