MassBank Record: PB000129



 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: PB000129
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: 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$MASS_SPECTROMETRY: COLLISION_ENERGY 55 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0gbc-9700000000-ed15b50aa1d66f06bf42 PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 53.038 124.462 11 55.016 793.018 78 65.038 1293.637 128 67.018 1798.217 178 68.997 2639.267 262 69.035 2154.246 214 77.039 673.682 66 79.018 364.942 35 81.036 138.277 12 83.014 494.182 48 85.029 110.770 10 91.054 8261.946 825 92.057 170.438 16 92.996 114.112 10 95.050 963.852 95 97.029 952.711 94 107.049 632.087 62 111.011 384.006 37 115.055 319.138 30 119.050 5375.093 536 120.054 127.779 11 123.044 232.409 22 125.022 185.888 17 128.061 167.715 15 147.043 565.486 55 152.061 290.171 28 153.018 10000.000 999 154.022 210.720 20 //