ACCESSION: MSBNK-Univ_Toyama-TY000179
RECORD_TITLE: 7-Hydroxy-5,6-dimethoxyflavone; LC-ESI-ITTOF; MS; [M+H]+
DATE: 2016.01.19 (Created 2010.10.14, modified 2012.10.22)
AUTHORS: Toshimitsu HAYASHI, Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Baicalein dimethyl ether
CH$NAME: 7-Hydroxy-5,6-dimethoxy-2-phenyl-4H-1-benzopyran-4-one
CH$NAME: 7-Hydroxy-5,6-dimethoxy-flavone
CH$NAME: 7-Hydroxy-5,6-dimethoxyflavone
CH$COMPOUND_CLASS: Natural Product; Flavonoid
CH$FORMULA: C₁₇H₁₄O₅
CH$EXACT_MASS: 298.08412
CH$SMILES: COc(c(O)3)c(OC)c(C(=O)2)c(c3)OC(=C2)c(c1)cccc1
CH$IUPAC: InChI=1S/C17H14O5/c1-20-16-12(19)9-14-15(17(16)21-2)11(18)8-13(22-14)10-6-4-3-5-7-10/h3-9,19H,1-2H3
CH$LINK: CAS 2035-05-4
CH$LINK: INCHIKEY QMQAOYFHVBKQCG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80420505

AC$INSTRUMENT: LCMS-IT-TOF
AC$INSTRUMENT_TYPE: LC-ESI-ITTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: CDL_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE +4.50 kV
AC$MASS_SPECTROMETRY: SCANNING 0.1 sec/scan (m/z = 200-2000)
AC$CHROMATOGRAPHY: COLUMN_NAME Waters Atlantis T3 (2.1 x 150 mm, 5 um)
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 C
AC$CHROMATOGRAPHY: FLOW_GRADIENT 10 % B to 100 % B/40 min
AC$CHROMATOGRAPHY: FLOW_RATE 0.2 ml/min
AC$CHROMATOGRAPHY: RETENTION_TIME 23.843333 min
AC$CHROMATOGRAPHY: SOLVENT A 5 mM ammonium acetate
AC$CHROMATOGRAPHY: SOLVENT B CH3CN

MS$FOCUSED_ION: BASE_PEAK 299.096800

PK$SPLASH: splash10-0002-0092000000-f0dae74279be10f41ba3
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  238.060000 126837.000000 21
  240.065900 31160.000000 5
  255.063100 31160.000000 5
  266.060300 199176.000000 32
  267.064400 39458.000000 6
  269.031000 31160.000000 5
  283.064000 39458.000000 6
  284.067300 198622.000000 32
  299.096800 6176517.000000 999
  299.246400 94904.000000 15
  299.396000 134205.000000 22
  299.612200 79738.000000 13
  299.828500 25645.000000 4
  300.094800 1288725.000000 208
  301.094500 178147.000000 29
  321.074800 111350.000000 18
  329.096700 47918.000000 8
//