ACCESSION: MSBNK-IPB_Halle-PB002407
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: 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-014i-2900000000-37be5bc5a9f1bc38d302
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  63.025 1573.178 156
  65.004 2254.616 224
  83.013 1166.958 115
  93.034 763.460 75
  107.016 3564.626 355
  108.024 132.459 12
  109.031 138.484 12
  117.035 372.206 36
  119.050 10000.000 999
  121.029 160.155 15
  133.030 108.008 9
  137.025 135.860 12
  143.052 441.594 43
  145.031 420.991 41
  151.004 2345.967 233
  161.061 390.282 38
  165.019 248.397 23
  177.017 324.393 31
  185.057 293.683 28
  187.036 886.103 87
//