MassBank Record: FFF00070



 Daidzein; LC-APPI-QQ; MS2; CE:60 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00070
RECORD_TITLE: Daidzein; LC-APPI-QQ; MS2; CE:60 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 0.820867 min
MS$FOCUSED_ION: BASE_PEAK 91.000000 MS$FOCUSED_ION: PRECURSOR_M/Z 255.400000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0fu6-8900000000-0b04727c7d0be783a5df PK$NUM_PEAK: 190 PK$PEAK: m/z int. rel.int. 31.500000 1350.500000 1 36.500000 1350.500000 1 37.000000 2701.000000 1 37.200001 2701.000000 1 37.500000 5402.000000 1 39.037037 364635.000000 5 41.098165 294409.000000 4 41.799999 6752.500000 1 43.082456 307914.000000 4 44.000000 2701.000000 1 44.299999 1350.500000 1 44.500000 1350.500000 1 44.799999 1350.500000 1 47.099998 1350.500000 1 48.599998 1350.500000 1 48.950001 2701.000000 1 49.200001 2701.000000 1 49.400002 1350.500000 1 49.700001 8103.000000 1 51.110393 480778.000000 7 53.100238 2272891.500000 31 55.043417 3857028.000000 53 56.124999 5402.000000 1 56.400002 2701.000000 1 56.650000 2701.000000 1 56.900002 1350.500000 1 57.300000 6752.500000 1 58.800001 4051.500000 1 59.099998 2701.000000 1 59.400002 4051.500000 1 59.599998 1350.500000 1 60.099998 1350.500000 1 60.799999 2701.000000 1 61.400000 21608.000000 1 65.078986 50011716.000000 690 67.153751 108040.000000 1 69.031468 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2701.000000 1 254.399994 1350.500000 1 254.978124 43216.000000 1 //

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