ACCESSION: MSBNK-IPB_Halle-PB000743
RECORD_TITLE: Luteolin; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.03.23, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 361
COMMENT: CONFIDENCE confident structure

CH$NAME: Luteolin
CH$NAME: 5,7,3',4'-tetrahydroxy-flavone
CH$COMPOUND_CLASS: Natural Product; Flavone
CH$FORMULA: C₁₅H₁₀O₆
CH$EXACT_MASS: 286.04774
CH$SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O
CH$IUPAC: InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
CH$LINK: INCHIKEY IQPNAANSBPBGFQ-UHFFFAOYSA-N
CH$LINK: KEGG C01514
CH$LINK: PUBCHEM CID:5280445
CH$LINK: COMPTOX DTXSID4074988

AC$INSTRUMENT: API QSTAR Pulsar i
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0f79-0980000000-e245bb6cbc97af71cd5e
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  67.018 257.309 24
  68.996 198.486 18
  89.038 161.870 15
  107.048 123.989 11
  111.007 233.672 22
  117.032 564.586 55
  125.020 104.437 9
  135.043 2403.069 239
  137.023 737.300 72
  139.054 129.173 11
  153.018 7735.849 772
  154.022 178.457 16
  157.065 148.041 13
  161.026 904.624 89
  171.042 226.415 21
  179.039 358.905 34
  185.065 216.255 20
  203.040 157.412 14
  213.059 323.865 31
  231.067 118.122 10
  241.054 1139.125 112
  245.049 162.347 15
  269.048 486.212 47
  287.055 10000.000 999
  288.060 518.764 50
//