ACCESSION: MSBNK-IPB_Halle-PB005714
RECORD_TITLE: Genistein; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.02.18, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 2181
COMMENT: CONFIDENCE confident structure

CH$NAME: Genistein
CH$NAME: 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₅H₁₀O₅
CH$EXACT_MASS: 270.05282
CH$SMILES: C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)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: INCHIKEY TZBJGXHYKVUXJN-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:5280961
CH$LINK: COMPTOX DTXSID5022308

AC$INSTRUMENT: micrOTOF-Q
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00di-0090000000-124c837f947147cccd5c
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  119.047 10.010 0
  121.028 10.010 0
  131.048 10.010 0
  141.068 20.020 1
  145.027 110.110 10
  147.043 10.010 0
  147.077 10.010 0
  149.021 160.160 15
  150.027 20.020 1
  153.016 570.571 56
  154.019 20.020 1
  159.042 70.070 6
  165.016 60.060 5
  169.063 60.060 5
  173.058 20.020 1
  175.073 10.010 0
  183.032 10.010 0
  187.068 50.050 4
  197.058 120.120 11
  200.045 10.010 0
  201.052 20.020 1
  211.035 10.010 0
  213.052 30.030 2
  215.067 1341.341 133
  216.070 160.160 15
  225.052 130.130 12
  226.058 30.030 2
  227.065 40.040 3
  228.045 20.020 1
  229.046 20.020 1
  242.051 30.030 2
  243.062 1381.381 137
  244.066 160.160 15
  247.055 10.010 0
  253.046 660.661 65
  254.049 90.090 8
  271.056 10000.000 999
  271.352 10.010 0
  272.060 1321.321 131
  273.062 80.080 7
//