MassBank Record: FFF00193



 Genistein; 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: FFF00193
RECORD_TITLE: Genistein; LC-APPI-QQ; MS2; CE:60 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$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min
MS$FOCUSED_ION: BASE_PEAK 91.000000 MS$FOCUSED_ION: PRECURSOR_M/Z 271.200000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014l-9600000000-b15477d1806070aa2e1c PK$NUM_PEAK: 198 PK$PEAK: m/z int. rel.int. 36.400002 1350.500000 1 37.250000 2701.000000 1 37.825000 5402.000000 1 39.059868 410552.000000 4 41.091268 1299181.000000 12 43.069349 1409922.000000 13 44.099998 4051.500000 1 44.400002 4051.500000 1 44.900002 2701.000000 1 45.099998 2701.000000 1 48.299999 1350.500000 1 49.099998 1350.500000 1 49.400002 4051.500000 1 49.799999 8103.000000 1 50.099998 12154.500000 1 51.137963 291708.000000 3 53.119259 1093905.000000 10 55.066400 2363375.000000 23 56.325000 5402.000000 1 56.599998 5402.000000 1 56.900002 10804.000000 1 57.271428 18907.000000 1 58.450001 2701.000000 1 58.900002 4051.500000 1 59.299999 1350.500000 1 59.500000 1350.500000 1 59.700001 2701.000000 1 60.500000 2701.000000 1 63.104786 1636806.000000 16 65.093141 46149286.000000 441 67.090017 10822907.000000 103 69.059913 31075005.000000 297 71.080986 383542.000000 4 71.900002 4051.500000 1 72.300003 2701.000000 1 72.500000 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