MassBank Record: PB002408



 Naringenin chalcone; LC-ESI-QTOF; MS2; CE:55 eV; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB002408
RECORD_TITLE: Naringenin chalcone; LC-ESI-QTOF; MS2; CE:55 eV; [M-H]-
DATE: 2016.01.19 (Created 2008.01.02, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 1742
COMMENT: CONFIDENCE: confident structure

CH$NAME: Naringenin chalcone CH$NAME: 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one CH$COMPOUND_CLASS: Natural Product; Chalcone CH$FORMULA: C15H12O5 CH$EXACT_MASS: 272.06847 CH$SMILES: C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2O)O)O)O CH$IUPAC: InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H/b6-3+ CH$LINK: INCHIKEY YQHMWTPYORBCMF-ZZXKWVIFSA-N CH$LINK: KEGG C06561 CH$LINK: PUBCHEM CID:5280960
AC$INSTRUMENT: API QSTAR Pulsar i AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 55 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-7900000000-42ef7b65ce430e844b49 PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 63.025 3066.860 305 65.004 5476.018 546 68.999 260.102 25 83.012 1062.137 105 93.035 1068.314 105 107.016 882.267 87 108.024 139.971 12 115.057 158.176 14 117.035 1367.733 135 119.050 10000.000 999 143.051 317.951 30 145.031 328.379 31 151.003 138.554 12 187.035 139.099 12 //