MassBank Record: PB000125



 Naringenin; 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: PB000125
RECORD_TITLE: Naringenin; 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: 83
COMMENT: CONFIDENCE: confident structure

CH$NAME: Naringenin CH$NAME: 5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one CH$COMPOUND_CLASS: Natural Product; Flavanone CH$FORMULA: C15H12O5 CH$EXACT_MASS: 272.06847 CH$SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O CH$IUPAC: InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2 CH$LINK: INCHIKEY FTVWIRXFELQLPI-UHFFFAOYSA-N CH$LINK: KEGG C00509 CH$LINK: PUBCHEM CID:932
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-9800000000-79055ba218dabe14501d PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 53.037 111.391 10 55.017 718.038 70 65.038 1125.168 111 67.018 1665.237 165 68.997 2395.872 238 69.035 1956.044 194 77.039 605.468 59 79.018 331.546 32 81.034 135.272 12 83.014 471.723 46 85.030 98.767 8 91.054 7753.953 774 92.058 168.025 15 92.999 114.286 10 95.050 921.201 91 97.029 914.232 90 107.049 644.063 63 111.011 382.203 37 115.054 299.384 28 119.050 5392.656 538 120.054 146.851 13 123.044 249.397 23 125.022 186.626 17 128.060 202.332 19 147.043 597.159 58 152.060 313.053 30 153.018 10000.000 999 154.024 440.901 43 157.068 101.153 9 //