MassBank Record: PN000113

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Luteolin; ESI-TOF; MS2; CE:15 eV; [M+H]+

Mass Spectrum
Chemical Structure
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ACCESSION: PN000113
RECORD_TITLE: Luteolin; ESI-TOF; MS2; CE:15 eV; [M+H]+
DATE: 2011.03.19
AUTHORS: Institute of Bioorganic Chemistry, Polish Academy of Sciences,Poland/Anna Staszków
LICENSE: CC BY-SA
COPYRIGHT: Copyright(C) 2011
COMMENT: standard

CH$NAME: Flacitran
CH$NAME: Luteolin
CH$NAME: Luteolol
CH$COMPOUND_CLASS: Natural Product; flavone
CH$FORMULA: C15H10O6
CH$EXACT_MASS: 286.047738040000012915697880089282989501953125
CH$SMILES: OC1=CC(O)=C2C(=O)C=C(OC2(=C1))C3=CC=C(O)C(O)=C3
CH$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$LINK: CAS 491-70-3
CH$LINK: COMPTOX DTXSID4074988
CH$LINK: INCHIKEY IQPNAANSBPBGFQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:5280445

AC$INSTRUMENT: micrOTOF-Q
AC$INSTRUMENT_TYPE: ESI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV
AC$MASS_SPECTROMETRY: COLLISION_GAS argon
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 7
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 49.999-1000
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.026
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
AC$CHROMATOGRAPHY: RETENTION_TIME 380.397

MS$FOCUSED_ION: BASE_PEAK 153.018
MS$FOCUSED_ION: PRECURSOR_M/Z 287.053
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-0udr-0910000000-3539e18ffd571afc7643
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  89.038 158 158
  90.042 16 16
  97.027 26 26
  107.047 28 28
  109.029 22 22
  111.011 25 25
  115.054 45 45
  117.034 126 126
  127.047 16 16
  128.063 43 43
  129.067 18 18
  135.044 232 232
  136.048 20 20
  137.022 117 117
  139.053 83 83
  145.062 15 15
  153.018 999 999
  154.022 62 62
  157.063 47 47
  161.023 146 146
  162.024 18 18
  167.048 21 21
  171.041 32 32
  179.036 16 16
  185.057 56 56
  195.042 17 17
  212.042 12 12
  213.054 42 42
  241.047 64 64
  242.052 16 16
  269.048 17 17
  287.053 135 135
  288.056 31 31
//