ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000547
RECORD_TITLE: 6-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$NAME: 6-METHOXY-2-PHENETHYLCHROMONE
CH$NAME: 6-METHOXY-2-PHENETHYL-4H-CHROMEN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₆O₃
CH$EXACT_MASS: 280.10994
CH$SMILES: COc(c3)cc(C(=O)1)c(c3)OC(CCc(c2)cccc2)=C1
CH$IUPAC: InChI=1S/C18H16O3/c1-20-14-9-10-18-16(11-14)17(19)12-15(21-18)8-7-13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3
CH$LINK: INCHIKEY JOYYVGVYUHRBAE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40415755

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$SPLASH: splash10-001l-8190000000-f7be7a0ec28b820ffd37
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  57 1.13 11
  81 2.47 25
  91 99.99 999
  92 9.28 93
  123 1.03 10
  129 1.38 14
  135 1.17 12
  137 1.19 12
  150 3.09 31
  151 2.48 25
  161 3.46 35
  189 1.21 12
  250 1.76 18
  251 1.31 13
  279 6.67 67
  280 90.21 902
  281 18.47 185
  282 2.29 23
//