MassBank Record: PB000842



 Daidzein; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000842
RECORD_TITLE: Daidzein; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.03.25, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 421
COMMENT: CONFIDENCE: confident structure

CH$NAME: Daidzein CH$NAME: 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one CH$COMPOUND_CLASS: Natural Product; Isoflavone CH$FORMULA: C15H10O4 CH$EXACT_MASS: 254.05791 CH$SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O CH$IUPAC: InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H CH$LINK: INCHIKEY ZQSIJRDFPHDXIC-UHFFFAOYSA-N CH$LINK: KEGG C10208 CH$LINK: PUBCHEM CID:5281708
AC$INSTRUMENT: API QSTAR Pulsar i AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0faa-0920000000-edcf73d8925904649c95 PK$NUM_PEAK: 65 PK$PEAK: m/z int. rel.int. 55.020 614.035 60 65.040 403.051 39 68.999 341.876 33 81.036 387.490 37 89.040 158.200 14 91.056 3957.284 394 93.036 137.757 12 105.035 463.463 45 106.042 270.175 26 109.029 291.381 28 115.054 543.707 53 118.041 281.465 27 119.050 2166.285 215 121.028 1207.780 119 127.052 309.992 29 128.061 2840.580 283 129.069 1954.233 194 131.049 1063.921 105 133.028 789.779 77 134.036 682.990 67 137.023 10000.000 999 138.027 283.448 27 141.071 572.082 56 143.086 1183.524 117 144.061 162.471 15 145.029 1583.524 157 147.044 232.189 22 149.024 997.407 98 151.054 417.086 40 152.062 3949.657 393 153.070 5990.847 598 154.075 377.880 36 155.062 547.368 53 156.059 135.515 12 157.066 2074.752 206 158.071 100.488 9 165.074 393.745 38 167.040 106.941 9 168.060 146.865 13 169.069 729.062 71 170.076 260.107 25 171.084 2366.133 235 175.043 235.545 22 179.065 113.654 10 181.069 9855.072 984 182.076 1130.130 112 184.057 1310.602 130 185.064 314.569 30 197.064 1252.937 124 198.071 894.432 88 199.078 9856.598 984 200.082 499.924 48 209.067 1340.198 133 210.072 442.715 43 211.079 303.890 29 212.052 299.619 28 213.059 128.680 11 225.055 236.918 22 226.063 468.040 45 227.070 4575.133 456 228.074 220.290 21 237.056 3098.398 308 238.060 171.777 16 255.068 4729.214 471 256.072 267.124 25 //