ACCESSION: MSBNK-RIKEN-PR040035
RECORD_TITLE: Luteolin; LC-ESI-QTOF; MS2; CE:30 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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV
AC$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$FOCUSED_ION: FULL_SCAN_FRAGMENT_ION_PEAK 287.1
MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE MassLynx 4.1

PK$SPLASH: splash10-0f79-1940000000-006d75dee56e7481a44f
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  67.0076 1242 79
  68.9873 1270 80
  69.0270 316 20
  79.0465 325 20
  89.0325 1443 91
  107.0455 499 31
  109.0251 418 26
  111.0041 475 30
  115.0518 337 21
  117.0308 2107 134
  128.0605 346 22
  135.0428 5482 349
  135.1027 568 36
  137.0222 1759 112
  139.0536 635 40
  153.0178 15680 999
  153.0816 1632 103
  154.0207 417 26
  157.0644 532 33
  161.0233 2257 143
  171.0444 544 34
  179.0339 673 42
  185.0604 649 41
  203.0351 337 21
  213.0561 910 57
  241.0502 2385 151
  269.0452 934 59
  287.0556 10710 682
  287.1415 699 44
  288.0590 669 42
//