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MassBank Record: BML01768

2',5-Dimethoxyflavone; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: 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
//

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