ACCESSION: MSBNK-IPB_Halle-PB000744
RECORD_TITLE: Luteolin; LC-ESI-QTOF; MS2; CE:55 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$MASS_SPECTROMETRY: COLLISION_ENERGY 55 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0uy0-2900000000-59881a247e3abd241d7b
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  55.019 167.805 15
  63.023 90.146 8
  67.018 2025.756 201
  68.997 2999.440 298
  77.039 390.705 38
  79.055 426.764 41
  81.035 280.683 27
  83.014 151.904 14
  87.022 99.104 8
  89.039 3101.344 309
  91.054 95.633 8
  97.030 372.788 36
  103.054 93.673 8
  105.035 199.720 18
  107.049 353.471 34
  109.027 258.679 24
  111.008 357.055 34
  115.053 1143.897 113
  117.033 2449.608 243
  121.029 106.215 9
  125.024 362.094 35
  127.049 466.573 45
  128.060 1261.478 125
  129.066 510.470 50
  131.048 161.926 15
  133.027 196.361 18
  135.043 2515.677 250
  137.025 1780.515 177
  139.054 1973.124 196
  143.045 266.349 25
  145.062 261.646 25
  147.042 257.559 24
  153.018 10000.000 999
  154.023 284.826 27
  155.056 364.894 35
  157.065 595.745 58
  161.026 2645.017 263
  167.053 284.826 27
  168.060 117.973 10
  171.047 673.012 66
  179.040 136.226 12
  184.058 210.358 20
  185.064 479.115 46
  187.044 114.670 10
  195.048 253.919 24
  203.038 103.583 9
  212.050 342.553 33
  213.059 482.643 47
  229.052 156.775 14
  240.044 164.334 15
  241.054 743.561 73
  287.055 464.894 45
//