MassBank Record: MSBNK-IPB_Halle-PB000128
ACCESSION: MSBNK-IPB_Halle-PB000128
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: 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=C1/C=C/C(=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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udi-0900000000-79afec38b3dde07593f3
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
67.019 205.717 19
68.997 136.710 12
69.036 110.381 10
91.054 808.425 79
95.050 212.788 20
97.029 132.096 12
107.049 235.356 22
119.050 3510.532 350
123.044 378.937 36
147.044 2191.073 218
153.018 10000.000 999
154.022 179.639 16
//