MassBank Record: PN000051

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

Mass Spectrum
Chemical Structure
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ACCESSION: PN000051
RECORD_TITLE: Genistein; ESI-TOF; MS2; CE:15 eV; [M+H]+
DATE: 2011.12.09
AUTHORS: Institute of Bioorganic Chemistry, Polish Academy of Sciences,Poland/Anna Staszków
LICENSE: CC BY-SA
COPYRIGHT: Copyright(C) 2011
COMMENT: lupinus_mexico

CH$NAME: 4',5,7-trihydroxyisoflavone
CH$NAME: Genistein
CH$NAME: 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
CH$COMPOUND_CLASS: Natural Product; isoflavone
CH$FORMULA: C15H10O5
CH$EXACT_MASS: 270.0528234199999815245973877608776092529296875
CH$SMILES: OC=1C=CC(=CC=1)C2=COC3=CC(O)=CC(O)=C3(C2(=O))
CH$IUPAC: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
CH$LINK: CAS 446-72-0
CH$LINK: COMPTOX DTXSID5022308
CH$LINK: INCHIKEY TZBJGXHYKVUXJN-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:5280961

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 0.028
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
AC$CHROMATOGRAPHY: RETENTION_TIME 429.029

MS$FOCUSED_ION: BASE_PEAK 153.018
MS$FOCUSED_ION: PRECURSOR_M/Z 271.06
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-0fr6-2900000000-746da0d84b8a598b37b0
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  89.039 40 40
  91.054 938 938
  92.056 54 54
  97.028 37 37
  103.054 52 52
  107.049 145 145
  115.054 437 437
  116.059 59 59
  117.068 49 49
  119.049 184 184
  121.029 171 171
  127.053 56 56
  128.059 84 84
  129.069 43 43
  131.050 161 161
  135.043 64 64
  137.026 35 35
  141.068 471 471
  142.075 55 55
  144.055 95 95
  145.055 86 86
  147.046 54 54
  149.024 97 97
  150.032 54 54
  152.057 48 48
  153.018 999 999
  154.023 80 80
  155.048 94 94
  159.046 81 81
  165.015 43 43
  168.058 71 71
  169.063 314 314
  170.067 59 59
  172.051 36 36
  183.041 42 42
  187.068 38 38
  197.060 262 262
  198.063 40 40
  200.044 110 110
  213.053 49 49
  215.069 142 142
  243.063 59 59
//