MassBank Record: MSBNK-Washington_State_Univ-BML01768
ACCESSION: MSBNK-Washington_State_Univ-BML01768
RECORD_TITLE: 2',5-Dimethoxyflavone; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
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$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 ev
AC$MASS_SPECTROMETRY: COLLISION_GAS N2
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
MS$FOCUSED_ION: BASE_PEAK 283
MS$FOCUSED_ION: PRECURSOR_M/Z 283.0965
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00lr-0290000000-7431bc5a959e6d4cbc84
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
108.0159 21 6
108.0218 21 6
115.0532 21 6
122.034 22 6
131.0514 64 18
132.0558 47 13
136.0186 22 6
137.0231 1040 296
137.0495 22 6
137.0585 33 9
150.0295 72 21
151.0387 78 22
175.0407 21 6
181.0656 35 10
197.0545 50 14
222.066 52 15
239.0658 46 13
240.0775 120 34
249.0529 234 67
250.0635 42 12
251.0677 83 24
267.0652 100 28
268.072 2478 706
268.1204 85 24
268.2272 23 7
283.0959 3507 999
//