MassBank Record: PN000001

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

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

ACCESSION: PN000001
RECORD_TITLE: Keampferol; 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: lupinus_mexico

CH$NAME: Robigenin
CH$NAME: 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CH$NAME: Keampferol
CH$COMPOUND_CLASS: Natural Product; flavonol
CH$FORMULA: C15H10O6
CH$EXACT_MASS: 286.047738040000012915697880089282989501953125
CH$SMILES: OC=1C=CC(=CC=1)C=2OC3=CC(O)=CC(O)=C3(C(=O)C=2(O))
CH$IUPAC: InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
CH$LINK: CAS 520-18-3
CH$LINK: COMPTOX DTXSID7020768
CH$LINK: INCHIKEY IYRMWMYZSQPJKC-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:5280863

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 447.179

MS$FOCUSED_ION: BASE_PEAK 153.017
MS$FOCUSED_ION: PRECURSOR_M/Z 287.052
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-0udi-0910000000-63aed82d6564c67bfad9
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  91.053 29 29
  93.033 46 46
  97.028 19 19
  103.052 26 26
  105.034 70 70
  107.049 89 89
  109.027 47 47
  111.011 36 36
  115.055 72 72
  119.046 41 41
  121.028 377 377
  122.029 29 29
  127.050 26 26
  128.060 84 84
  129.070 50 50
  131.048 39 39
  133.030 29 29
  135.048 25 25
  136.016 19 19
  137.022 112 112
  139.051 41 41
  145.062 69 69
  147.042 98 98
  153.017 999 999
  154.021 74 74
  157.063 167 167
  161.055 33 33
  165.018 85 85
  171.042 50 50
  185.060 51 51
  213.054 129 129
  214.057 25 25
  217.051 19 19
  229.047 61 61
  241.046 19 19
  258.048 37 37
  287.049 48 48
//