ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000643
RECORD_TITLE: 7-METHOXYFLAVONOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKATORI M, DEPT. OF CHEMISTRY, FAC. OF EDUC., FUKUSHIMA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 7-METHOXYFLAVONOL
CH$NAME: 3-HYDROXY-7-METHOXY-2-PHENYL-4H-CHROMEN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₂O₄
CH$EXACT_MASS: 268.07356
CH$SMILES: COc(c3)cc(O1)c(c3)C(=O)C(O)=C(c(c2)cccc2)1
CH$IUPAC: InChI=1S/C16H12O4/c1-19-11-7-8-12-13(9-11)20-16(15(18)14(12)17)10-5-3-2-4-6-10/h2-9,18H,1H3
CH$LINK: INCHIKEY IPRIGHIBTRMTDP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90225760

AC$INSTRUMENT: JEOL JMS-06-H
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014i-1390000000-87f7d7ff8ece3e419196
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  28 5 50
  51 7.4 74
  63 12.6 126
  64 0.2 2
  77 2.75 28
  89 3.6 36
  105 30.4 304
  106 0.37 4
  107 3.1 31
  134 6.9 69
  135 2.6 26
  141 0.25 3
  151 4.7 47
  181 2.5 25
  197 2.7 27
  211 0.27 3
  225 18.6 186
  239 2.8 28
  240 6.4 64
  267 5.51 55
  268 99.99 999
  269 22.3 223
//