MassBank Record: PN000005

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2'-Hydroxygenistein; ESI-TOF; MS2; CE:25 eV; [M-H]-

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

ACCESSION: PN000005
RECORD_TITLE: 2'-Hydroxygenistein; ESI-TOF; MS2; CE:25 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: 286.04773803999996
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 7
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV
AC$MASS_SPECTROMETRY: COLLISION_GAS argon
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.031
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 44.7387-1204.74
AC$CHROMATOGRAPHY: RETENTION_TIME 361.026 sec
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um

MS$FOCUSED_ION: PRECURSOR_M/Z 285.04
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$FOCUSED_ION: BASE_PEAK 133.024
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-001i-0900000000-eb1c908e2b7ab5532501
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  89.035 50 50
  107.016 52 52
  109.023 39 39
  121.033 50 50
  123.039 84 84
  131.047 51 51
  132.019 77 77
  133.028 999 999
  134.030 81 81
  143.048 44 44
  145.036 62 62
  146.039 27 27
  147.032 74 74
  148.019 106 106
  149.024 253 253
  151.020 60 60
  157.034 66 66
  171.047 90 90
  172.047 32 32
  173.038 67 67
  174.036 34 34
  175.039 258 258
  176.037 34 34
  185.051 45 45
  187.038 53 53
  189.053 29 29
  195.045 43 43
  198.031 64 64
  199.038 108 108
  201.017 62 62
  211.040 35 35
  215.031 43 43
  217.053 45 45
  229.048 36 36
  240.045 39 39
//