ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000545
RECORD_TITLE: 2-(2'-METHOXYPHENETHYL)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$NAME: 2-(2'-METHOXYPHENETHYL)CHROMONE
CH$NAME: 2-(ORTHO-METHOXYPHENETHYL)-4H-CHROMEN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₆O₃
CH$EXACT_MASS: 280.10994
CH$SMILES: COc(c3)c(ccc3)CCC(=C1)Oc(c2)c(ccc2)C(=O)1
CH$IUPAC: InChI=1S/C18H16O3/c1-20-17-8-4-2-6-13(17)10-11-14-12-16(19)15-7-3-5-9-18(15)21-14/h2-9,12H,10-11H2,1H3
CH$LINK: INCHIKEY MXICWRQECYSJOT-UHFFFAOYSA-N

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$SPLASH: splash10-00e9-2960000000-5e0df07fce9af279ac2b
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  78 1.22 12
  81 2.23 22
  91 29.49 295
  92 2.43 24
  93 6.01 60
  120 1.03 10
  121 99.99 999
  122 7.78 78
  123 1.04 10
  131 1.05 11
  147 8.06 81
  160 5.28 53
  161 4.17 42
  173 1.24 12
  249 1.36 14
  265 1.06 11
  279 3.11 31
  280 70.81 708
  281 14.08 141
  282 1.95 20
//