MassBank Record: MSBNK-Washington_State_Univ-BML01515
ACCESSION: MSBNK-Washington_State_Univ-BML01515
RECORD_TITLE: 7-Hydroxy-3'-methoxyflavone; LC-ESI-QTOF; MS2; CE 10 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 1.162
CH$NAME: 7-Hydroxy-3'-methoxyflavone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H12O4
CH$EXACT_MASS: 268.073559
CH$SMILES: COC1=CC=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O
CH$IUPAC: InChI=1S/C16H12O4/c1-19-12-4-2-3-10(7-12)15-9-14(18)13-6-5-11(17)8-16(13)20-15/h2-9,17H,1H3
CH$LINK: CHEMSPIDER
4537957
CH$LINK: PUBCHEM
CID:5393153
CH$LINK: INCHIKEY
PTXIWVJSAQPKEY-UHFFFAOYSA-N
AC$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 10 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$CHROMATOGRAPHY: RETENTION_TIME 8.607
AC$CHROMATOGRAPHY: SOLVENT A water with 0.2% acetic acid
AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.2% acetic acid
MS$FOCUSED_ION: BASE_PEAK 267
MS$FOCUSED_ION: PRECURSOR_M/Z 267.0663
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-0090000000-367b30a93d759ea6bd78
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
105.5788 21 1
130.8647 24 1
135.0089 54 3
146.4501 23 1
167.0508 29 2
195.0459 66 3
216.1928 24 1
223.4839 26 1
224.0479 432 23
224.0968 32 2
241.2402 37 2
249.4473 27 1
252.0427 1237 65
252.1139 27 1
252.1317 20 1
266.2953 21 1
266.5558 22 1
267.0653 19019 999
//