MassBank Record: MSBNK-Washington_State_Univ-BML01779
ACCESSION: MSBNK-Washington_State_Univ-BML01779
RECORD_TITLE: 2',5-Dimethoxyflavone; 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 1.226
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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 ev
AC$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 9.025
AC$CHROMATOGRAPHY: SOLVENT A water with 0.2% acetic acid
AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.2% acetic acid
MS$FOCUSED_ION: BASE_PEAK 137
MS$FOCUSED_ION: PRECURSOR_M/Z 283.0965
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000j-0930000000-41e6c3cee59d6c1541a7
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
103.0548 56 33
104.0626 35 21
105.0684 45 26
107.0137 118 69
108.0207 236 139
109.0233 27 16
109.0298 35 21
115.0554 28 16
118.0407 61 36
118.0487 20 12
121.0256 107 63
122.0334 95 56
122.0398 32 19
129.0328 41 24
131.0486 395 232
132.0533 20 12
132.059 102 60
135.0456 25 15
136.016 55 32
137.023 1698 999
137.0543 50 29
141.0717 33 19
147.0421 97 57
150.0302 84 49
151.0357 48 28
152.0609 43 25
165.0639 43 25
165.0703 73 43
168.0563 26 15
181.0634 153 90
193.0659 38 22
194.0657 26 15
194.0759 22 13
197.0599 540 318
205.0628 25 15
208.052 21 12
211.0761 33 19
221.0588 74 44
222.0673 68 40
223.0751 31 18
225.053 80 47
236.0463 109 64
237.0528 90 53
237.0646 24 14
239.0687 164 96
240.0777 203 119
249.055 320 188
250.0593 20 12
251.0691 142 84
252.0418 194 114
253.0511 41 24
267.067 120 71
268.0761 71 42
//