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MassBank Record: BML01523

7-Hydroxy-3'-methoxyflavone; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-

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

ACCESSION: BML01523
RECORD_TITLE: 7-Hydroxy-3'-methoxyflavone; 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 1.162

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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 ev
AC$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 8.607
AC$CHROMATOGRAPHY: SOLVENT A water with 0.2% acetic acid
AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.2% acetic acid

MS$FOCUSED_ION: BASE_PEAK 252
MS$FOCUSED_ION: PRECURSOR_M/Z 267.0663
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0uxr-0090000000-dabe6c00396e5a54d6a8
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  135.0074 53 6
  135.0146 58 6
  145.9525 23 2
  167.0459 60 6
  167.0731 36 4
  173.9444 41 4
  195.0411 294 32
  195.0731 29 3
  196.0484 31 3
  224.0459 2138 231
  224.0927 82 9
  224.1324 25 3
  224.1855 26 3
  224.2353 22 2
  224.3312 29 3
  224.565 27 3
  225.6597 24 3
  226.4104 53 6
  251.9629 36 4
  252.042 9227 999
  252.0901 71 8
  252.1471 122 13
  252.1862 104 11
  252.2708 51 6
  252.3219 38 4
  252.3604 41 4
  252.4209 46 5
  252.457 38 4
  252.5266 23 2
  252.5714 24 3
  252.6046 45 5
  252.6903 27 3
  252.7363 42 5
  252.7823 21 2
  252.9205 32 3
  252.9534 31 3
  253.057 46 5
  253.122 23 2
  253.2036 26 3
  253.2963 31 3
  253.4631 24 3
  253.7802 27 3
  255.6434 24 3
  267.0662 7982 864
//

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