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MassBank Record: PR100644

Luteolin; LC-ESI-QTOF; MS2; CE:30 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: PR100644
RECORD_TITLE: Luteolin; LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
DATE: 2016.01.19 (Created 2010.06.21, modified 2011.05.06)
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Luteolin
CH$NAME: Lutl
CH$NAME: 3',4',5,7-tetrahydroxyflavone
CH$NAME: Digitoflavone
CH$NAME: Flacitran
CH$NAME: Luteolol
CH$NAME: Weld Lake
CH$NAME: Yama kariyasu
CH$NAME: 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
CH$NAME: Cyanidenon 1470
CH$COMPOUND_CLASS: Flavonoid
CH$FORMULA: C15H10O6
CH$EXACT_MASS: 286.04774
CH$SMILES: Oc(c3)c(O)cc(c3)C(=C1)Oc(c2)c(c(O)cc(O)2)C(=O)1
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$LINK: CHEMSPIDER 4444102
CH$LINK: KEGG C01514
CH$LINK: KNAPSACK C00000674
CH$LINK: PUBCHEM CID:5280445
CH$LINK: INCHIKEY IQPNAANSBPBGFQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4074988

AC$INSTRUMENT: UPLC Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
AC$MASS_SPECTROMETRY: DATAFORMAT Continuum
AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C
AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD LOW-ENERGY CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C
AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V
AC$CHROMATOGRAPHY: SOLVENT A CH3CN(0.1%HCOOH)
AC$CHROMATOGRAPHY: SOLVENT B H2O(0.1%HCOOH)

MS$FOCUSED_ION: PRECURSOR_M/Z 285.03994
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-001i-0900000000-4b5589ca157de0b5885b
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  63.0246 27.69 20
  65.0044 87.17 63
  83.0138 75.82 55
  105.0345 40.25 29
  107.0139 199.2 145
  121.0287 63.59 46
  132.0204 83.7 61
  133.0282 1373 999
  143.0498 21.37 16
  145.0287 20.58 15
  147.0435 17.81 13
  149.0236 71.62 52
  151.0021 128.2 93
  171.0441 25.29 18
  174.0300 15.1 11
  175.0391 99.27 72
  198.0315 24.37 18
  199.0384 53.52 39
  201.0176 38.05 28
  215.0341 18.58 14
  217.0483 17.57 13
  285.0399 29.92 22
//

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