MassBank Record: PB005706



 Kaempferol; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB005706
RECORD_TITLE: Kaempferol; 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: 2141
COMMENT: CONFIDENCE: confident structure

CH$NAME: Kaempferol CH$NAME: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C15H10O6 CH$EXACT_MASS: 286.04774 CH$SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O CH$IUPAC: InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H CH$LINK: INCHIKEY IYRMWMYZSQPJKC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5280863
AC$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$SPLASH: splash10-0f79-0690000000-4ea7ac373b7544205bba PK$NUM_PEAK: 219 PK$PEAK: m/z int. rel.int. 107.053 50.050 4 115.055 70.070 6 115.075 10.010 0 117.028 30.030 2 117.069 40.040 3 117.085 10.010 0 118.037 10.010 0 119.046 110.110 10 121.027 1271.271 126 121.071 10.010 0 122.031 80.080 7 123.036 20.020 1 124.014 30.030 2 125.016 10.010 0 127.049 180.180 17 128.060 360.360 35 129.036 30.030 2 129.066 340.340 33 130.039 20.020 1 130.081 10.010 0 131.048 90.090 8 132.076 20.020 1 133.027 250.250 24 134.031 70.070 6 135.043 100.100 9 135.065 20.020 1 135.084 10.010 0 136.011 40.040 3 136.040 20.020 1 137.022 840.841 83 137.039 20.020 1 138.025 160.160 15 139.052 250.250 24 140.057 10.010 0 141.069 180.180 17 142.036 20.020 1 142.073 50.050 4 143.045 20.020 1 143.567 10.010 0 144.049 60.060 5 145.024 40.040 3 145.063 550.551 54 145.171 20.020 1 145.631 10.010 0 146.034 30.030 2 146.063 10.010 0 146.623 10.010 0 147.042 970.971 96 148.045 70.070 6 149.021 60.060 5 153.017 9009.009 899 153.109 10.010 0 154.019 460.460 45 154.064 10.010 0 155.027 10.010 0 155.045 70.070 6 155.083 10.010 0 156.052 50.050 4 156.071 10.010 0 157.063 1951.952 194 157.550 10.010 0 158.065 190.190 18 159.074 10.010 0 160.050 60.060 5 161.057 590.591 58 162.018 10.010 0 162.057 10.010 0 162.398 10.010 0 163.034 60.060 5 165.017 1861.862 185 165.117 10.010 0 166.019 160.160 15 167.022 20.020 1 167.047 50.050 4 168.052 100.100 9 169.068 40.040 3 170.067 30.030 2 171.041 610.611 60 171.263 10.010 0 172.041 40.040 3 173.016 10.010 0 173.061 40.040 3 174.023 20.020 1 175.038 80.080 7 175.077 60.060 5 175.146 10.010 0 176.032 20.020 1 177.012 10.010 0 177.049 30.030 2 179.025 40.040 3 179.045 10.010 0 181.008 70.070 6 181.091 10.010 0 183.030 540.540 53 183.184 10.010 0 184.009 10.010 0 184.045 200.200 19 184.997 10.010 0 185.056 920.921 91 186.055 180.180 17 187.064 30.030 2 188.038 10.010 0 189.049 110.110 10 191.027 20.020 1 193.015 50.050 4 194.869 10.010 0 195.037 80.080 7 195.356 20.020 1 196.052 10.010 0 197.053 120.120 11 198.063 20.020 1 198.925 30.030 2 199.037 40.040 3 199.096 10.010 0 200.046 10.010 0 201.051 70.070 6 201.094 10.010 0 202.058 110.110 10 203.028 30.030 2 203.067 310.310 30 204.038 40.040 3 205.038 10.010 0 207.025 40.040 3 208.038 10.010 0 210.877 10.010 0 212.042 310.310 30 213.051 4854.855 484 213.197 10.010 0 214.057 630.631 62 215.028 30.030 2 215.062 40.040 3 216.038 670.671 66 217.043 190.190 18 217.079 10.010 0 218.022 60.060 5 218.052 50.050 4 219.037 20.020 1 219.060 70.070 6 219.121 10.010 0 220.021 20.020 1 221.050 10.010 0 223.029 60.060 5 224.043 90.090 8 225.054 60.060 5 226.011 10.010 0 227.464 10.010 0 229.047 1681.682 167 230.052 330.330 32 230.997 20.020 1 231.061 1421.421 141 231.158 10.010 0 232.029 50.050 4 232.063 40.040 3 232.087 20.020 1 234.945 110.110 10 235.055 50.050 4 236.945 40.040 3 240.040 140.140 13 241.045 1711.712 170 241.117 10.010 0 241.989 10.010 0 242.052 410.410 40 242.146 30.030 2 243.063 190.190 18 244.036 80.080 7 244.920 10.010 0 245.041 220.220 21 245.120 10.010 0 251.032 20.020 1 252.035 60.060 5 253.044 10.010 0 253.931 30.030 2 256.050 10.010 0 257.040 360.360 35 257.135 20.020 1 258.048 3693.694 368 258.172 30.030 2 258.202 20.020 1 258.880 10.010 0 259.055 1331.331 132 259.155 20.020 1 260.059 120.120 11 261.871 20.020 1 263.048 50.050 4 263.897 10.010 0 263.928 20.020 1 264.057 10.010 0 269.040 640.641 63 269.117 20.020 1 269.144 10.010 0 270.014 10.010 0 270.046 110.110 10 271.043 10.010 0 272.037 30.030 2 272.065 10.010 0 285.034 260.260 25 286.042 250.250 24 286.115 10.010 0 287.050 10000.000 999 287.142 80.080 7 287.177 20.020 1 287.988 10.010 0 288.053 1461.461 145 289.075 20.020 1 302.014 10.010 0 307.009 10.010 0 323.055 10.010 0 340.086 10.010 0 352.036 10.010 0 358.695 10.010 0 361.007 10.010 0 364.186 10.010 0 385.913 10.010 0 488.372 10.010 0 503.868 10.010 0 511.638 10.010 0 515.157 10.010 0 534.485 10.010 0 620.324 10.010 0 //