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MassBank Record: BML00331

2'-Hydroxy-a-naphthoflavone; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+

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

ACCESSION: BML00331
RECORD_TITLE: 2'-Hydroxy-a-naphthoflavone; 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 1.322

CH$NAME: 2'-Hydroxy-a-naphthoflavone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H12O3
CH$EXACT_MASS: 288.078644
CH$SMILES: C1=CC=C2C(=C1)C=CC3=C2OC(=CC3=O)C4=CC=CC=C4O
CH$IUPAC: InChI=1S/C19H12O3/c20-16-8-4-3-7-14(16)18-11-17(21)15-10-9-12-5-1-2-6-13(12)19(15)22-18/h1-11,20H
CH$LINK: CHEMSPIDER 589037
CH$LINK: PUBCHEM CID:676302
CH$LINK: INCHIKEY ZKMLQDNHMSFULN-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 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 9.665
AC$CHROMATOGRAPHY: SOLVENT A water with 0.2% acetic acid
AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.2% acetic acid

MS$FOCUSED_ION: BASE_PEAK 115
MS$FOCUSED_ION: PRECURSOR_M/Z 289.0859
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-014l-0910000000-d16a9126f198792a325a
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  101.0326 38 49
  101.0405 60 78
  115.0536 773 999
  115.0785 23 30
  119.0497 36 47
  127.0541 101 131
  143.046 496 641
  145.0231 42 54
  171.0427 430 556
  171.077 24 31
  190.0717 20 26
  214.077 29 37
  215.082 156 202
  232.0897 29 37
  261.0952 25 32
//

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