MassBank Record: PN000123

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

Mass Spectrum
Chemical Structure
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ACCESSION: PN000123
RECORD_TITLE: Isovitexin; ESI-TOF; MS2; CE:15 eV; [M+H]+
DATE: 2011.12.10
AUTHORS: Institute of Bioorganic Chemistry, Polish Academy of Sciences,Poland/Anna Staszków
LICENSE: CC BY-SA
COPYRIGHT: Copyright(C) 2011
COMMENT: standard

CH$NAME: Isovitexin
CH$NAME: Homovitexin
CH$NAME: Saponaretin
CH$NAME: Apigenin-6-C-glucoside
CH$COMPOUND_CLASS: Natural Product; flavone
CH$FORMULA: C21H20O10
CH$EXACT_MASS: 432.105646839999963049194775521755218505859375
CH$SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
CH$IUPAC: InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21+/m1/s1
CH$LINK: CAS 29702-25-8
CH$LINK: COMPTOX DTXSID60952152
CH$LINK: INCHIKEY MYXNWGACZJSMBT-VJXVFPJBSA-N
CH$LINK: PUBCHEM CID:162350

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 0.021
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
AC$CHROMATOGRAPHY: RETENTION_TIME 247.966

MS$FOCUSED_ION: BASE_PEAK 283.06
MS$FOCUSED_ION: PRECURSOR_M/Z 433.112
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-03e9-0029000000-25679f3bac3f6d0c7734
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  271.0598 41 41
  272.0629 12 12
  283.0595 999 999
  284.0632 145 145
  285.0690 28 28
  295.0613 37 37
  297.0749 12 12
  309.0688 36 36
  311.0556 14 14
  313.0706 996 996
  314.0743 117 117
  315.0722 19 19
  323.0918 113 113
  324.0937 26 26
  325.0829 13 13
  333.0769 16 16
  337.0698 432 432
  338.0725 90 90
  339.0743 17 17
  349.0692 151 151
  350.0767 38 38
  351.0868 74 74
  352.0873 15 15
  361.0716 378 378
  362.0758 64 64
  363.0794 15 15
  367.0814 168 168
  368.0872 28 28
  379.0799 673 673
  380.0836 130 130
  381.0877 19 19
  397.0914 443 443
  398.0949 76 76
  399.0997 12 12
  415.1011 87 87
  416.1025 14 14
//