MassBank Record: FFF00072



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

ACCESSION: FFF00072
RECORD_TITLE: Daidzein; LC-APPI-QQ; MS2; CE:40 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$FOCUSED_ION: BASE_PEAK 199.000000 MS$FOCUSED_ION: PRECURSOR_M/Z 255.400000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0pej-1930000000-be2c3206b200f98f9d46 PK$NUM_PEAK: 218 PK$PEAK: m/z int. rel.int. 36.900002 2701.000000 1 38.099998 1350.500000 1 38.900002 9453.500000 1 39.200001 13505.000000 1 39.700001 2701.000000 1 40.099998 1350.500000 1 40.799999 5402.000000 1 41.025000 5402.000000 1 41.599998 1350.500000 1 41.799999 1350.500000 1 43.128846 70226.000000 1 44.400002 1350.500000 1 49.500000 1350.500000 1 49.799999 1350.500000 1 50.099998 5402.000000 1 51.161111 48618.000000 1 51.599998 4051.500000 1 51.900002 5402.000000 1 53.147619 113442.000000 2 55.050652 1658414.000000 24 56.400002 1350.500000 1 56.700001 2701.000000 1 57.000000 1350.500000 1 57.299999 2701.000000 1 59.000000 4051.500000 1 60.599998 1350.500000 1 60.799999 1350.500000 1 61.099998 2701.000000 1 62.100000 10804.000000 1 63.029167 64824.000000 1 65.080118 3206087.000000 46 66.500000 5402.000000 1 66.719998 13505.000000 1 67.211111 36463.500000 1 69.042771 2466013.000000 36 69.916668 8103.000000 1 70.283335 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