MassBank Record: PB000701



 Phloretin; 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: PB000701
RECORD_TITLE: Phloretin; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.03.20, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 341
COMMENT: CONFIDENCE: confident structure

CH$NAME: Phloretin CH$NAME: 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one CH$COMPOUND_CLASS: Natural Product; Dihydrochalcone CH$FORMULA: C15H14O5 CH$EXACT_MASS: 274.08412 CH$SMILES: C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O CH$IUPAC: InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2 CH$LINK: INCHIKEY VGEREEWJJVICBM-UHFFFAOYSA-N CH$LINK: KEGG C00774 CH$LINK: PUBCHEM CID:4788
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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-0900000000-0c999f95c930697ca836 PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 77.038 118.736 10 79.055 87.614 7 107.049 10000.000 999 108.052 263.031 25 123.043 152.688 14 151.037 243.540 23 169.051 160.547 15 //