ACCESSION: MSBNK-IPB_Halle-PB005715
RECORD_TITLE: Genistein; LC-ESI-QTOF; MS2; CE:25 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$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0g4i-0390000000-32e5ad3ba5c1dab47e34
PK$NUM_PEAK: 104
PK$PEAK: m/z int. rel.int.
  115.052 60.060 5
  117.068 20.020 1
  119.047 90.090 8
  121.027 100.100 9
  127.051 20.020 1
  128.060 70.070 6
  129.068 50.050 4
  131.047 240.240 23
  131.084 20.020 1
  132.052 10.010 0
  133.026 40.040 3
  133.063 20.020 1
  134.032 10.010 0
  135.041 80.080 7
  136.045 10.010 0
  137.022 70.070 6
  141.068 500.500 49
  142.072 40.040 3
  144.055 60.060 5
  145.028 520.520 51
  146.031 20.020 1
  147.042 160.160 15
  147.078 70.070 6
  148.081 10.010 0
  149.021 1001.001 99
  150.028 140.140 13
  151.049 20.020 1
  152.061 60.060 5
  153.016 3503.503 349
  154.019 210.210 20
  155.046 70.070 6
  157.064 70.070 6
  159.042 500.500 49
  160.046 40.040 3
  161.054 10.010 0
  163.040 30.030 2
  165.016 320.320 31
  166.019 10.010 0
  168.055 20.020 1
  169.062 1001.001 99
  170.065 100.100 9
  171.034 20.020 1
  173.056 190.190 18
  174.065 10.010 0
  175.073 120.120 11
  176.075 10.010 0
  177.015 10.010 0
  177.056 10.010 0
  178.021 30.030 2
  179.042 20.020 1
  181.061 80.080 7
  183.036 190.190 18
  184.046 50.050 4
  185.055 120.120 11
  186.062 20.020 1
  187.070 430.430 42
  188.041 10.010 0
  188.076 40.040 3
  191.033 60.060 5
  196.050 10.010 0
  197.057 1231.231 122
  198.060 220.220 21
  199.069 30.030 2
  200.044 300.300 29
  201.052 230.230 22
  202.056 20.020 1
  203.036 20.020 1
  203.067 10.010 0
  205.047 10.010 0
  207.038 10.010 0
  209.045 10.010 0
  211.035 100.100 9
  213.051 350.350 34
  214.058 70.070 6
  215.067 5515.516 550
  216.070 690.691 68
  217.063 40.040 3
  219.064 50.050 4
  224.041 20.020 1
  225.052 670.671 66
  226.058 240.240 23
  227.066 180.180 17
  228.039 160.160 15
  229.046 190.190 18
  230.049 10.010 0
  235.034 40.040 3
  241.045 70.070 6
  242.054 300.300 29
  242.817 10.010 0
  243.061 4534.535 452
  244.064 590.591 58
  245.069 20.020 1
  247.057 50.050 4
  252.037 30.030 2
  253.046 3053.053 304
  253.199 10.010 0
  254.048 460.460 45
  255.053 20.020 1
  269.034 10.010 0
  271.056 10000.000 999
  271.349 10.010 0
  271.427 10.010 0
  272.059 1511.512 150
  273.062 90.090 8
//