MassBank Record: BML00346

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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: BML00346
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 1.316

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 NEGATIVE
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 9.704
AC$CHROMATOGRAPHY: SOLVENT A water with 0.2% acetic acid
AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.2% acetic acid

MS$FOCUSED_ION: BASE_PEAK 117
MS$FOCUSED_ION: PRECURSOR_M/Z 287.0713
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-014i-0900000000-463dd6d26e30527218b2
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  117.0343 24620 999
  117.0685 700 28
  117.0851 275 11
  117.135 406 16
  141.0342 161 7
  143.0493 725 29
  167.0493 1804 73
  259.0763 780 32
//