ACCESSION: MSBNK-IPB_Halle-PB002406
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: 1742
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0udi-0910000000-afe3bb20e73181050052
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  65.004 90.224 8
  83.013 181.369 17
  93.035 807.988 79
  107.016 1796.138 178
  119.050 4759.710 474
  125.024 186.417 17
  145.031 171.824 16
  151.002 10000.000 999
  165.020 676.322 66
  169.012 226.136 21
  177.017 1379.197 136
  185.058 205.289 19
  187.038 199.803 18
  227.071 517.775 50
  271.061 3825.982 381
//