ACCESSION: MSBNK-RIKEN-PR040034
RECORD_TITLE: Luteolin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 eV; [M-H]-
DATE: 2016.01.19 (Created 2007.11.09, modified 2011.05.06)
AUTHORS: Matsuda F, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: 3',4',5,7-tetrahydroxyflavone
CH$NAME: Luteolin
CH$NAME: Lutl
CH$NAME: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
CH$COMPOUND_CLASS: Natural Product
CH$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$LINK: KEGG C01514
CH$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$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 eV
AC$MASS_SPECTROMETRY: DATAFORMAT Continuum
AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE LOW-ENERGY CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: SCANNING 1.0 sec/scan (m/z = 50-1000)
AC$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$FOCUSED_ION: FULL_SCAN_FRAGMENT_ION_PEAK 285
MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE MassLynx 4.1

PK$SPLASH: splash10-000i-0490000000-b23f87f7af1af38d9686
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  65.0013 351 11
  83.0129 337 11
  105.0341 356 11
  107.0137 1148 38
  121.0296 368 12
  132.0216 1366 45
  133.0294 9793 326
  134.0333 395 13
  149.0244 893 29
  151.0038 2257 75
  175.0403 1320 44
  199.0405 1103 36
  201.0195 495 16
  217.0508 666 22
  241.0504 429 14
  243.0303 329 10
  285.0399 29970 999
  285.2979 782 26
  285.5068 380 12
  285.6699 321 10
  285.7968 309 10
  286.0444 2171 72
//