ACCESSION: MSBNK-IPB_Halle-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=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$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV
AC$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
//