ACCESSION: MSBNK-IPB_Halle-PB002404
RECORD_TITLE: Naringenin; 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: 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$MASS_SPECTROMETRY: COLLISION_ENERGY 55 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-014i-6900000000-300152f0ae1c29f00dca
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  63.025 2982.475 297
  65.004 4591.658 458
  68.999 192.674 18
  83.012 932.001 92
  93.035 1002.804 99
  107.016 751.840 74
  108.024 133.544 12
  115.057 107.150 9
  117.035 968.805 95
  119.050 10000.000 999
  143.053 249.106 23
  145.031 248.966 23
  187.037 121.381 11
//