ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003131
RECORD_TITLE: HOMOPTEROCARPIN; 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$NAME: HOMOPTEROCARPIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₆O₄
CH$EXACT_MASS: 284.10486
CH$SMILES: COc(c4)cc(O3)c(c4)C([H])(O1)C([H])(C3)c(c2)c(cc(OC)c2)1
CH$IUPAC: InChI=1S/C17H16O4/c1-18-10-4-6-13-15(7-10)20-9-14-12-5-3-11(19-2)8-16(12)21-17(13)14/h3-8,14,17H,9H2,1-2H3/t14-,17-/m0/s1
CH$LINK: INCHIKEY VPGIGLKLCFOWDN-YOEHRIQHSA-N
CH$LINK: COMPTOX DTXSID10976040

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$SPLASH: splash10-001i-0290000000-eb2189160c94104537b6
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  133 5 50
  148 22 220
  149 2 20
  151 3 30
  152 2 20
  161 18 180
  253 4 40
  267 3 30
  269 24 240
  270 4 40
  282 2 20
  283 34 340
  284 99.99 999
  285 20 200
  286 2 20
//