MassBank Record: PN000050

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Genistein; ESI-TOF; MS2; CE:25 eV; [M-H]-

Mass Spectrum
Chemical Structure
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ACCESSION: PN000050
RECORD_TITLE: Genistein; ESI-TOF; MS2; CE:25 eV; [M-H]-
DATE: 2011.12.11
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV
AC$MASS_SPECTROMETRY: COLLISION_GAS argon
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 7
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 49.999-1200
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.03
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
AC$CHROMATOGRAPHY: RETENTION_TIME 427.243

MS$FOCUSED_ION: BASE_PEAK 133.027
MS$FOCUSED_ION: PRECURSOR_M/Z 269.041
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-001i-0900000000-65de4f48cb54e03719ab
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  91.019 65 65
  105.033 79 79
  107.013 125 125
  117.033 64 64
  123.042 60 60
  130.039 35 35
  131.047 74 74
  132.020 350 350
  133.027 999 999
  134.035 224 224
  135.043 314 314
  143.049 55 55
  151.004 44 44
  154.040 60 60
  155.050 91 91
  156.053 37 37
  157.031 120 120
  158.035 53 53
  159.043 350 350
  160.047 31 31
  167.047 31 31
  169.062 36 36
  171.044 35 35
  173.062 32 32
  180.055 129 129
  181.060 60 60
  182.039 52 52
  183.043 129 129
  184.047 26 26
  195.041 44 44
  196.049 91 91
  199.036 43 43
  201.051 50 50
  213.054 29 29
  223.040 43 43
  224.045 81 81
  225.052 25 25
  239.031 33 33
  241.045 25 25
  269.043 98 98
  270.044 27 27
//