ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000548
RECORD_TITLE: 8-METHOXY-2-PHENETHYLCHROMONE; 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$NAME: 8-METHOXY-2-PHENETHYLCHROMONE
CH$NAME: 8-METHOXY-2-PHENETHYL-4H-CHROMEN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₆O₃
CH$EXACT_MASS: 280.10994
CH$SMILES: COc(c3)c(O1)c(cc3)C(=O)C=C(CCc(c2)cccc2)1
CH$IUPAC: InChI=1S/C18H16O3/c1-20-17-9-5-8-15-16(19)12-14(21-18(15)17)11-10-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3
CH$LINK: INCHIKEY ZNQDWWWTGJNVBY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20813694

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$SPLASH: splash10-000x-9070000000-c2cfe5013373dcba63fe
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  56 1.94 19
  91 99.99 999
  92 7.69 77
  105 2.71 27
  122 1.86 19
  150 1.65 17
  151 2.75 28
  161 1.99 20
  279 1 10
  280 75.49 755
  281 14.97 150
  282 1.91 19
//