MassBank Record: FFF00071



 Daidzein; LC-APPI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00071
RECORD_TITLE: Daidzein; LC-APPI-QQ; MS2; CE:50 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$FOCUSED_ION: BASE_PEAK 91.000000 MS$FOCUSED_ION: PRECURSOR_M/Z 255.400000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0f7x-4900000000-fd7f271816fa0d6e6138 PK$NUM_PEAK: 194 PK$PEAK: m/z int. rel.int. 36.799999 1350.500000 1 37.000000 2701.000000 1 37.900002 1350.500000 1 38.599998 6752.500000 1 38.976924 35113.000000 1 39.400002 6752.500000 1 40.299999 1350.500000 1 40.599998 5402.000000 1 40.990000 27010.000000 1 41.400002 8103.000000 1 41.700001 4051.500000 1 43.042000 135050.000000 4 43.850000 2701.000000 1 45.500000 1350.500000 1 49.099998 1350.500000 1 49.900002 2701.000000 1 51.166666 28360.500000 1 52.099998 4051.500000 1 53.078355 311965.500000 8 55.033644 1882597.000000 50 55.900002 4051.500000 1 56.200001 5402.000000 1 56.775000 5402.000000 1 57.200001 2701.000000 1 58.900002 6752.500000 1 59.099998 1350.500000 1 59.299999 1350.500000 1 59.700001 1350.500000 1 60.599998 1350.500000 1 61.400000 5402.000000 1 61.700001 1350.500000 1 63.222223 121545.000000 3 65.067661 9596653.000000 255 66.300003 9453.500000 1 66.933334 32412.000000 1 69.032436 2206717.000000 59 71.016667 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