MassBank Record: FFF00194



 Genistein; 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: FFF00194
RECORD_TITLE: Genistein; LC-APPI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (2011.04.05, 2011.06.20)
AUTHORS: , Atsushi Yamamoto, PFOS.jp
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$NAME: Genistein CH$COMPOUND_CLASS: Natural Product; Isoflavone CH$FORMULA: C15H10O5 CH$EXACT_MASS: 270.05282 CH$SMILES: Oc(c3)ccc(c3)C(=C1)C(=O)c(c(O)2)c(cc(O)c2)O1 CH$IUPAC: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H CH$LINK: CAS 446-72-0 CH$LINK: INCHIKEY TZBJGXHYKVUXJN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022308 CH$LINK: PUBCHEM CID:5280961
AC$INSTRUMENT: API2000 AC$INSTRUMENT_TYPE: LC-APPI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min
MS$FOCUSED_ION: BASE_PEAK 91.000000 MS$FOCUSED_ION: PRECURSOR_M/Z 271.200000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00kf-5910000000-48f270af88a5a591e780 PK$NUM_PEAK: 200 PK$PEAK: m/z int. rel.int. 31.349999 2701.000000 1 36.599998 1350.500000 1 38.483334 8103.000000 1 39.055883 91834.000000 1 40.299999 9453.500000 1 41.107730 279553.500000 3 43.052921 785991.000000 8 43.799999 2701.000000 1 44.000000 2701.000000 1 44.599998 1350.500000 1 44.900002 1350.500000 1 47.200001 1350.500000 1 49.500000 2701.000000 1 49.850000 2701.000000 1 51.144000 67525.000000 1 52.000000 13505.000000 1 53.097794 367336.000000 4 55.080157 1204646.000000 13 55.900002 6752.500000 1 56.299999 1350.500000 1 56.728571 9453.500000 1 57.233334 12154.500000 1 58.200001 1350.500000 1 58.500000 1350.500000 1 59.049999 2701.000000 1 59.299999 1350.500000 1 60.500000 2701.000000 1 61.000000 2701.000000 1 61.700001 5402.000000 1 63.101198 451067.000000 5 65.092941 13429372.000000 143 67.089419 8066536.500000 86 69.049032 18685518.000000 199 71.057534 394346.000000 4 72.199997 2701.000000 1 72.599998 1350.500000 1 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