ACCESSION: MSBNK-IPB_Halle-PB005721
RECORD_TITLE: Genistein; LC-ESI-QTOF; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0uxu-0970000000-2cc2b429ddf3d4dc77f4
PK$NUM_PEAK: 166
PK$PEAK: m/z int. rel.int.
  101.137 10.010 0
  102.046 10.010 0
  107.054 10.010 0
  115.053 580.581 57
  116.057 80.080 7
  117.069 110.110 10
  118.044 10.010 0
  118.103 10.010 0
  119.047 290.290 28
  120.053 20.020 1
  121.027 490.490 48
  122.029 60.060 5
  124.708 10.010 0
  125.023 10.010 0
  126.029 10.010 0
  126.043 30.030 2
  127.053 200.200 19
  128.060 300.300 29
  129.068 260.260 25
  130.070 20.020 1
  131.049 820.821 81
  131.083 60.060 5
  132.053 80.080 7
  132.091 30.030 2
  132.958 10.010 0
  133.028 40.040 3
  133.064 90.090 8
  134.035 30.030 2
  135.043 470.470 46
  137.022 300.300 29
  138.031 20.020 1
  138.625 10.010 0
  139.050 60.060 5
  141.069 3113.113 310
  141.112 10.010 0
  141.146 20.020 1
  142.072 390.390 38
  143.050 40.040 3
  144.056 400.400 39
  145.030 900.901 89
  145.062 260.260 25
  146.030 40.040 3
  146.066 70.070 6
  147.044 560.561 55
  147.078 100.100 9
  147.432 10.010 0
  148.046 60.060 5
  149.022 1571.572 156
  150.028 450.450 44
  151.050 150.150 14
  152.060 360.360 35
  153.017 10000.000 999
  153.238 10.010 0
  153.689 10.010 0
  154.019 550.551 54
  154.077 20.020 1
  155.047 480.480 47
  156.053 80.080 7
  157.062 240.240 23
  158.175 10.010 0
  159.045 990.991 98
  159.073 200.200 19
  160.048 110.110 10
  160.078 40.040 3
  161.053 30.030 2
  163.036 240.240 23
  163.053 10.010 0
  164.041 30.030 2
  165.017 630.631 62
  166.019 30.030 2
  167.033 80.080 7
  168.054 360.360 35
  169.062 3843.844 383
  169.131 20.020 1
  169.186 20.020 1
  170.067 350.350 34
  171.047 70.070 6
  171.077 30.030 2
  172.049 90.090 8
  173.058 540.540 53
  174.061 210.210 20
  175.073 330.330 32
  176.074 30.030 2
  177.055 30.030 2
  178.025 120.120 11
  179.044 140.140 13
  180.054 40.040 3
  180.934 10.010 0
  181.062 140.140 13
  182.068 40.040 3
  183.038 640.641 63
  184.050 110.110 10
  185.057 350.350 34
  186.062 80.080 7
  187.069 760.761 75
  188.044 90.090 8
  188.073 30.030 2
  191.030 300.300 29
  195.023 20.020 1
  196.052 10.010 0
  197.057 3943.944 393
  198.061 770.771 76
  199.069 90.090 8
  200.043 1101.101 109
  200.189 10.010 0
  201.051 600.601 59
  202.053 130.130 12
  203.030 170.170 16
  203.083 10.010 0
  204.041 10.010 0
  205.040 10.010 0
  207.040 50.050 4
  209.046 90.090 8
  210.146 10.010 0
  211.038 260.260 25
  212.051 30.030 2
  213.053 1121.121 111
  214.056 440.440 43
  215.067 6896.897 688
  215.160 10.010 0
  215.184 10.010 0
  215.217 10.010 0
  216.068 950.951 94
  216.133 10.010 0
  217.054 70.070 6
  217.077 20.020 1
  219.064 80.080 7
  223.037 20.020 1
  224.043 160.160 15
  225.051 1081.081 107
  226.058 700.701 69
  227.067 250.250 24
  227.134 10.010 0
  227.180 10.010 0
  228.038 560.561 55
  229.045 380.380 37
  230.059 20.020 1
  231.030 10.010 0
  235.036 140.140 13
  236.032 20.020 1
  241.046 350.350 34
  242.054 830.831 82
  243.062 4784.785 477
  243.136 10.010 0
  244.066 750.751 74
  245.063 20.020 1
  247.056 30.030 2
  252.036 90.090 8
  252.958 10.010 0
  253.046 4464.464 445
  254.048 660.661 65
  255.054 10.010 0
  256.041 10.010 0
  257.995 10.010 0
  269.042 70.070 6
  270.044 20.020 1
  270.973 10.010 0
  271.056 4474.475 446
  272.059 720.721 71
  272.122 30.030 2
  273.064 10.010 0
  284.025 20.020 1
  285.029 20.020 1
  348.240 10.010 0
  498.593 10.010 0
  891.363 10.010 0
//