ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000552
RECORD_TITLE: 6,7-DIMETHOXY-2-PHENETHYL CHROMONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 6,7-DIMETHOXY-2-PHENETHYL CHROMONE
CH$NAME: 6,7-DIMETHOXY-2-PHENETHYL-4H-CHROMEN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₁₈O₄
CH$EXACT_MASS: 310.12051
CH$SMILES: COc(c1)c(OC)cc(C(=O)2)c(OC(CCc(c3)cccc3)=C2)1
CH$IUPAC: InChI=1S/C19H18O4/c1-21-18-11-15-16(20)10-14(23-17(15)12-19(18)22-2)9-8-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3
CH$LINK: INCHIKEY MVQOWXHYPYRBOE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00415711

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03di-3019000000-2bfbc5e8aa9f4fded4a8
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  57 1.07 11
  85 1.03 10
  91 50.62 506
  92 4.2 42
  137 1.4 14
  165 1.94 19
  180 1.88 19
  181 1.9 19
  191 4.4 44
  219 6 60
  220 1 10
  244 2.14 21
  251 1.13 11
  264 4.19 42
  279 2.44 24
  281 2.18 22
  295 2.96 30
  309 11.06 111
  310 99.99 999
  311 20.7 207
  312 2.95 30
//