MassBank Record: PB002407



 Naringenin chalcone; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB002407
RECORD_TITLE: Naringenin chalcone; LC-ESI-QTOF; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-2900000000-37be5bc5a9f1bc38d302 PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 63.025 1573.178 156 65.004 2254.616 224 83.013 1166.958 115 93.034 763.460 75 107.016 3564.626 355 108.024 132.459 12 109.031 138.484 12 117.035 372.206 36 119.050 10000.000 999 121.029 160.155 15 133.030 108.008 9 137.025 135.860 12 143.052 441.594 43 145.031 420.991 41 151.004 2345.967 233 161.061 390.282 38 165.019 248.397 23 177.017 324.393 31 185.057 293.683 28 187.036 886.103 87 //