MassBank Record: PB000127



 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: PB000127
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: 101
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 POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udj-0920000000-1bfd55f600a901a79c87 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 107.051 123.057 11 119.051 510.497 50 123.045 397.422 38 147.044 6132.597 612 151.040 135.138 12 153.018 10000.000 999 154.022 137.643 12 179.038 144.125 13 189.058 175.654 16 273.076 4416.206 440 //