ACCESSION: MSBNK-IPB_Halle-PB002401
RECORD_TITLE: Naringenin; LC-ESI-QTOF; MS2; CE:15 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: 1741
COMMENT: CONFIDENCE confident structure

CH$NAME: Naringenin
CH$NAME: 5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
CH$COMPOUND_CLASS: Natural Product; Flavanone
CH$FORMULA: C₁₅H₁₂O₅
CH$EXACT_MASS: 272.06847
CH$SMILES: C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
CH$IUPAC: InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
CH$LINK: INCHIKEY FTVWIRXFELQLPI-ZDUSSCGKSA-N
CH$LINK: KEGG C00509
CH$LINK: PUBCHEM CID:439246
CH$LINK: COMPTOX DTXSID1022392

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$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-00di-0190000000-336b30f1d35c6317597b
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  119.052 125.701 11
  151.004 1063.340 105
  177.018 267.259 25
  271.055 10000.000 999
//