MassBank Record: FFF00075



 Daidzein; LC-APPI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00075
RECORD_TITLE: Daidzein; LC-APPI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (2011.03.01)
AUTHORS: , Atsushi Yamamoto
LICENSE: CC BY-SA
COPYRIGHT: PFOS.jp
COMMENT: Disclaimer: While authors make an effort to ensure that the content of this record is accurate, the authors make no representations or warranties in relation to the accuracy or completeness of the record. This record do not reflect any viewpoints of the affiliation and organization to which the authors belong.

CH$NAME: Daidzein CH$COMPOUND_CLASS: Natural Product; Isoflavone CH$FORMULA: C15H10O4 CH$EXACT_MASS: 254.05791 CH$SMILES: Oc(c3)ccc(c3)C(=C1)C(=O)c(c2)c(cc(O)c2)O1 CH$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$LINK: CAS 486-66-8 CH$LINK: INCHIKEY ZQSIJRDFPHDXIC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022310
AC$INSTRUMENT: API2000 AC$INSTRUMENT_TYPE: LC-APPI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min
MS$FOCUSED_ION: BASE_PEAK 255.199997 MS$FOCUSED_ION: PRECURSOR_M/Z 255.400000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-0090000000-fb84819005f7f65b4fc8 PK$NUM_PEAK: 170 PK$PEAK: m/z int. rel.int. 38.799999 2701.000000 1 42.700001 1350.500000 1 53.099998 2701.000000 1 55.150000 2701.000000 1 63.599998 2701.000000 1 65.000000 6752.500000 1 65.400002 1350.500000 1 68.800003 1350.500000 1 69.000000 1350.500000 1 69.400002 1350.500000 1 77.099998 2701.000000 1 78.000000 2701.000000 1 80.800003 1350.500000 1 81.199997 2701.000000 1 82.900002 1350.500000 1 90.989474 25659.500000 1 91.300003 9453.500000 1 92.599998 1350.500000 1 93.000000 1350.500000 1 93.300003 1350.500000 1 93.900002 1350.500000 1 97.000000 1350.500000 1 104.500000 1350.500000 1 104.750000 2701.000000 1 105.300003 1350.500000 1 105.925001 5402.000000 1 106.850002 2701.000000 1 107.599998 1350.500000 1 109.500000 1350.500000 1 110.300003 1350.500000 1 111.099998 2701.000000 1 116.400002 1350.500000 1 117.500000 1350.500000 1 117.699997 2701.000000 1 118.000000 2701.000000 1 118.400002 1350.500000 1 118.666664 8103.000000 1 119.099998 6752.500000 1 120.300003 1350.500000 1 120.699997 1350.500000 1 120.950001 2701.000000 1 125.900002 1350.500000 1 127.599998 1350.500000 1 128.000000 5402.000000 1 128.399994 1350.500000 1 129.074999 10804.000000 1 129.500000 2701.000000 1 130.399994 1350.500000 1 131.150000 10804.000000 1 132.199997 1350.500000 1 132.399994 1350.500000 1 132.699997 1350.500000 1 132.899994 5402.000000 1 133.100006 4051.500000 1 133.500000 1350.500000 1 133.849998 2701.000000 1 134.199997 1350.500000 1 135.600006 2701.000000 1 136.100001 4051.500000 1 137.019297 153957.000000 1 138.699997 1350.500000 1 139.300003 1350.500000 1 141.199997 1350.500000 1 142.800003 5402.000000 1 144.199997 1350.500000 1 144.600006 6752.500000 1 144.800003 6752.500000 1 145.130771 17556.500000 1 145.399994 6752.500000 1 148.300003 2701.000000 1 148.600006 4051.500000 1 148.928569 9453.500000 1 149.199997 2701.000000 1 150.800003 1350.500000 1 151.000000 2701.000000 1 152.149999 16206.000000 1 152.936367 29711.000000 1 153.399994 12154.500000 1 153.600006 1350.500000 1 154.500000 1350.500000 1 154.949997 5402.000000 1 155.300003 2701.000000 1 156.150002 2701.000000 1 156.899994 13505.000000 1 159.250000 2701.000000 1 164.699997 1350.500000 1 165.075005 5402.000000 1 167.800003 1350.500000 1 168.250000 2701.000000 1 168.600006 1350.500000 1 168.900002 5402.000000 1 169.399994 1350.500000 1 170.199997 1350.500000 1 171.183332 16206.000000 1 173.300003 1350.500000 1 174.800003 1350.500000 1 175.399994 1350.500000 1 179.300003 2701.000000 1 179.500000 1350.500000 1 180.000000 1350.500000 1 180.832003 67525.000000 1 181.800003 1350.500000 1 182.199997 2701.000000 1 182.399994 1350.500000 1 183.199997 2701.000000 1 183.399994 2701.000000 1 183.775002 5402.000000 1 184.199997 5402.000000 1 184.399994 1350.500000 1 184.600006 1350.500000 1 185.069231 17556.500000 1 187.000000 2701.000000 1 187.300003 1350.500000 1 189.100006 1350.500000 1 192.550003 2701.000000 1 193.100006 2701.000000 1 194.500000 2701.000000 1 195.100006 1350.500000 1 195.399994 1350.500000 1 196.300003 2701.000000 1 196.800003 6752.500000 1 197.100003 6752.500000 1 197.399994 5402.000000 1 197.899994 1350.500000 1 198.116671 8103.000000 1 199.101232 1315387.000000 2 201.000000 1350.500000 1 201.349998 2701.000000 1 208.199997 2701.000000 1 209.025925 72927.000000 1 209.800003 4051.500000 1 210.250000 10804.000000 1 210.500000 4051.500000 1 211.199997 14855.500000 1 211.800003 4051.500000 1 212.199997 5402.000000 1 212.899994 9453.500000 1 213.374996 5402.000000 1 219.399994 2701.000000 1 220.500000 1350.500000 1 222.399994 2701.000000 1 222.830000 13505.000000 1 224.833333 8103.000000 1 225.399994 1350.500000 1 227.128775 1135770.500000 2 227.899994 2701.000000 1 228.300003 1350.500000 1 235.600006 2701.000000 1 235.800003 1350.500000 1 236.399994 4051.500000 1 237.096923 526695.000000 1 238.300003 2701.000000 1 239.800003 1350.500000 1 240.349998 2701.000000 1 243.699997 1350.500000 1 246.600006 1350.500000 1 247.300003 1350.500000 1 247.849998 2701.000000 1 248.600006 1350.500000 1 249.075005 5402.000000 1 249.300003 1350.500000 1 249.600001 8103.000000 1 249.899994 2701.000000 1 250.199997 6752.500000 1 250.500000 4051.500000 1 251.028573 18907.000000 1 255.135468 546949799.000000 999 257.700012 2701.000000 1 288.600006 1350.500000 1 299.899994 1350.500000 1 //

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