MassBank Record: FFF00198



 Genistein; LC-APPI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00198
RECORD_TITLE: Genistein; LC-APPI-QQ; MS2; CE:10 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 271.100006 MS$FOCUSED_ION: PRECURSOR_M/Z 271.200000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-0090000000-b593f863241cb83cbaa8 PK$NUM_PEAK: 85 PK$PEAK: m/z int. rel.int. 74.800003 1350.500000 1 82.900002 1350.500000 1 88.000000 1350.500000 1 90.599998 1350.500000 1 90.800003 1350.500000 1 104.300003 1350.500000 1 105.900002 1350.500000 1 106.500000 1350.500000 1 116.900002 1350.500000 1 125.500000 1350.500000 1 130.100006 1350.500000 1 133.300003 2701.000000 1 135.000000 2701.000000 1 143.100006 2701.000000 1 144.800003 1350.500000 1 145.199997 1350.500000 1 149.000000 5402.000000 1 149.199997 1350.500000 1 149.699997 1350.500000 1 152.500000 1350.500000 1 153.000000 5402.000000 1 153.399994 1350.500000 1 155.399994 2701.000000 1 157.100006 1350.500000 1 158.899994 2701.000000 1 160.600006 1350.500000 1 161.300003 1350.500000 1 164.799998 4051.500000 1 173.399994 1350.500000 1 176.899994 1350.500000 1 177.300003 1350.500000 1 178.899994 2701.000000 1 179.300003 1350.500000 1 180.000000 1350.500000 1 182.899994 1350.500000 1 183.300003 1350.500000 1 185.349998 2701.000000 1 186.699997 1350.500000 1 187.000000 1350.500000 1 193.199997 2701.000000 1 193.500000 1350.500000 1 196.399994 1350.500000 1 196.800003 1350.500000 1 197.050003 8103.000000 1 198.899994 1350.500000 1 199.300003 1350.500000 1 200.100006 1350.500000 1 200.949997 2701.000000 1 202.800003 1350.500000 1 203.600006 1350.500000 1 206.800003 1350.500000 1 207.199997 1350.500000 1 210.800003 4051.500000 1 211.199997 2701.000000 1 212.000000 1350.500000 1 212.500000 1350.500000 1 215.003333 40515.000000 2 218.300003 1350.500000 1 221.199997 1350.500000 1 221.600006 1350.500000 1 224.849998 2701.000000 1 225.100006 1350.500000 1 225.300003 1350.500000 1 225.600006 1350.500000 1 226.199997 1350.500000 1 226.799998 4051.500000 1 227.199997 1350.500000 1 229.300003 1350.500000 1 229.500000 1350.500000 1 235.100006 1350.500000 1 239.154545 29711.000000 1 241.300003 1350.500000 1 243.094595 49968.500000 2 251.699997 1350.500000 1 252.300003 1350.500000 1 253.260714 37814.000000 1 254.300003 1350.500000 1 256.200012 1350.500000 1 257.500000 1350.500000 1 268.399994 1350.500000 1 268.799998 4051.500000 1 271.101798 26141628.500000 999 272.449997 8103.000000 1 277.600006 1350.500000 1 286.500000 1350.500000 1 //

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