MassBank Record: MSBNK-Washington_State_Univ-BML01702
ACCESSION: MSBNK-Washington_State_Univ-BML01702
RECORD_TITLE: 3',7-Dimethoxy-3-hydroxyflavone; LC-ESI-QTOF; MS2; CE 40 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 1.301
CH$NAME: 3',7-Dimethoxy-3-hydroxyflavone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H14O5
CH$EXACT_MASS: 298.084124
CH$SMILES: COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC(=CC=C3)OC)O
CH$IUPAC: InChI=1S/C17H14O5/c1-20-11-5-3-4-10(8-11)17-16(19)15(18)13-7-6-12(21-2)9-14(13)22-17/h3-9,19H,1-2H3
CH$LINK: CHEMSPIDER
600236
CH$LINK: PUBCHEM
CID:688836
CH$LINK: INCHIKEY
PFMGWOVPHHEHAL-UHFFFAOYSA-N
AC$INSTRUMENT: Agilent 1200 RRLC; Agilent 6520 QTOF
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 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$CHROMATOGRAPHY: RETENTION_TIME 9.510
AC$CHROMATOGRAPHY: SOLVENT A water with 0.2% acetic acid
AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.2% acetic acid
MS$FOCUSED_ION: BASE_PEAK 211
MS$FOCUSED_ION: PRECURSOR_M/Z 297.0768
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-03di-0390000000-729cdcf2fa16d312c6eb
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
103.2939 53 94
109.683 23 41
117.6703 37 66
121.0475 22 39
150.7217 25 44
155.8785 34 60
167.0513 44 78
168.0572 42 74
182.0354 89 158
183.0392 54 96
195.0439 67 119
197.0586 57 101
199.796 36 64
210.0327 492 871
210.0569 24 43
211.0404 564 999
211.0882 31 55
218.9278 31 55
225.0517 197 349
225.0625 44 78
225.273 22 39
238.0245 154 273
239.0383 51 90
253.051 54 96
255.9614 21 37
//