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MassBank Record: PN000006

2'-Hydroxygenistein; ESI-TOF; MS2; CE:15 eV; [M+H]+

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

ACCESSION: PN000006
RECORD_TITLE: 2'-Hydroxygenistein; 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$NAME: 2'-Hydroxygenistein
CH$NAME: 2'-Hydroxy-genistein
CH$NAME: 5,7,2',4'-Tetrahydroxyisoflavone
CH$COMPOUND_CLASS: Natural Product; isoflavone
CH$FORMULA: C15H10O6
CH$EXACT_MASS: 286.04773804
CH$SMILES: OC1=CC=C(C(O)=C1)C2=COC3=CC(O)=CC(O)=C3(C2(=O))
CH$IUPAC: InChI=1S/C15H10O6/c16-7-1-2-9(11(18)3-7)10-6-21-13-5-8(17)4-12(19)14(13)15(10)20/h1-6,16-19H
CH$LINK: PUBCHEM CID:5282074
CH$LINK: CAS 1156-78-1
CH$LINK: INCHIKEY GSSOWCUOWLMMRJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80151145

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: IONIZATION ESI
AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 7
AC$MASS_SPECTROMETRY: COLLISION_GAS argon
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.026
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 49.999-1000
AC$CHROMATOGRAPHY: RETENTION_TIME 356.6 sec
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um

MS$FOCUSED_ION: PRECURSOR_M/Z 287.051
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: BASE_PEAK 153.017
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-0gb9-0920000000-86ef9d569e8b10bc7774
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  89.037 42 42
  91.054 108 108
  103.052 134 134
  107.049 375 375
  109.027 94 94
  111.005 55 55
  115.053 413 413
  119.050 69 69
  121.062 159 159
  123.043 103 103
  124.016 108 108
  128.061 103 103
  131.051 72 72
  132.056 46 46
  133.063 200 200
  137.020 42 42
  143.046 68 68
  145.063 86 86
  147.041 316 316
  149.030 41 41
  153.017 999 999
  154.021 62 62
  157.063 133 133
  160.051 82 82
  161.054 258 258
  162.057 44 44
  163.037 125 125
  171.042 261 261
  175.041 66 66
  185.059 86 86
  189.051 324 324
  191.032 49 49
  199.035 44 44
  200.044 49 49
  203.036 94 94
  213.051 139 139
  216.039 224 224
  217.045 880 880
  218.051 180 180
  269.037 44 44
//

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