ACCESSION: MSBNK-Washington_State_Univ-BML80220
RECORD_TITLE: 2',5-Dimethoxyflavone; LC-ESI-QTOF; MS; POSITIVE
DATE: 2016.01.19 (Created 2012.10.26)
AUTHORS: Cuthbertson DJ, Johnson SR, Lange BM, Institute of Biological Chemistry, Washington State University
LICENSE: CC BY-SA
COMMENT: relative retention time with respect to 9-anthracene Carboxylic Acid is 1.226

CH$NAME: 2',5-Dimethoxyflavone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₄O₄
CH$EXACT_MASS: 282.089209
CH$SMILES: COC1=CC=CC=C1C2=CC(=O)C3=C(O2)C=CC=C3OC
CH$IUPAC: InChI=1S/C17H14O4/c1-19-13-7-4-3-6-11(13)16-10-12(18)17-14(20-2)8-5-9-15(17)21-16/h3-10H,1-2H3
CH$LINK: CHEMSPIDER 600080
CH$LINK: PUBCHEM CID:688667
CH$LINK: INCHIKEY QNKIRTADURZGPG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30350944

AC$INSTRUMENT: Agilent 1200 RRLC; Agilent 6520 QTOF
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: SCANNING m/z 100-1000
AC$CHROMATOGRAPHY: COLUMN_NAME Agilent C8 Cartridge Column 2.1X30mm 3.5 micron (guard); Agilent SB-Aq 2.1x50mm 1.8 micron (analytical)
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 60 C
AC$CHROMATOGRAPHY: FLOW_GRADIENT linear from 98A/2B at 0 min to 2A/98B at 13 min, hold 6 min at 2A/98B, reequilibration 98A/2B (5 min)
AC$CHROMATOGRAPHY: FLOW_RATE 0.6 ml/min
AC$CHROMATOGRAPHY: RETENTION_TIME 9.025
AC$CHROMATOGRAPHY: SOLVENT A water with 0.2% acetic acid
AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.2% acetic acid

PK$SPLASH: splash10-053r-0097000000-9182ca2888f046808225
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
283.0964765 1236297 999
305.078418 1044254 844
//