ACCESSION: MSBNK-IPB_Halle-PB002403
RECORD_TITLE: Naringenin; 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: 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-014i-2900000000-4b44af7541ec3e49a2fa
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  63.025 1516.982 150
  65.004 1868.391 185
  83.013 999.035 98
  93.034 737.553 72
  107.016 3164.801 315
  108.024 129.101 11
  117.036 230.027 22
  119.050 10000.000 999
  121.029 140.544 13
  143.052 283.288 27
  145.031 275.762 26
  151.004 2111.154 210
  161.062 317.445 30
  165.020 201.081 19
  177.017 313.971 30
  185.058 182.999 17
  187.037 613.277 60
//