MassBank Record: PB002406



 Naringenin chalcone; LC-ESI-QTOF; MS2; CE:25 eV; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB002406
RECORD_TITLE: Naringenin chalcone; LC-ESI-QTOF; MS2; CE:25 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$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0udi-0910000000-afe3bb20e73181050052 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 65.004 90.224 8 83.013 181.369 17 93.035 807.988 79 107.016 1796.138 178 119.050 4759.710 474 125.024 186.417 17 145.031 171.824 16 151.002 10000.000 999 165.020 676.322 66 169.012 226.136 21 177.017 1379.197 136 185.058 205.289 19 187.038 199.803 18 227.071 517.775 50 271.061 3825.982 381 //