ACCESSION: MSBNK-IPB_Halle-PB002408
RECORD_TITLE: Naringenin chalcone; 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: 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$MASS_SPECTROMETRY: COLLISION_ENERGY 55 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-014i-7900000000-42ef7b65ce430e844b49
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  63.025 3066.860 305
  65.004 5476.018 546
  68.999 260.102 25
  83.012 1062.137 105
  93.035 1068.314 105
  107.016 882.267 87
  108.024 139.971 12
  115.057 158.176 14
  117.035 1367.733 135
  119.050 10000.000 999
  143.051 317.951 30
  145.031 328.379 31
  151.003 138.554 12
  187.035 139.099 12
//