MassBank Record: FFF00195



 Genistein; 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: FFF00195
RECORD_TITLE: Genistein; LC-APPI-QQ; MS2; CE:40 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$CHROMATOGRAPHY: RETENTION_TIME 0.820883 min
MS$FOCUSED_ION: BASE_PEAK 153.000000 MS$FOCUSED_ION: PRECURSOR_M/Z 271.200000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0v4m-1960000000-fbd7f2eb8c701be4e7a1 PK$NUM_PEAK: 192 PK$PEAK: m/z int. rel.int. 37.599998 1350.500000 1 38.200001 1350.500000 1 38.500000 1350.500000 1 39.233334 16206.000000 1 40.299999 1350.500000 1 41.104167 32412.000000 1 41.800001 4051.500000 1 42.371429 18907.000000 1 43.056329 213379.000000 3 43.700001 1350.500000 1 44.900002 1350.500000 1 45.200001 1350.500000 1 50.599998 1350.500000 1 51.200001 5402.000000 1 52.000000 1350.500000 1 53.064444 60772.500000 1 53.916668 8103.000000 1 55.017355 326821.000000 4 55.700001 5402.000000 1 56.799999 6752.500000 1 57.500000 4051.500000 1 59.099998 2701.000000 1 60.000000 1350.500000 1 60.700001 1350.500000 1 61.000000 4051.500000 1 61.940000 6752.500000 1 62.400002 5402.000000 1 63.002500 54020.000000 1 65.078759 1653012.000000 21 67.095489 2455209.000000 32 69.051605 6225805.000000 80 70.199997 6752.500000 1 71.040259 207977.000000 3 71.900002 1350.500000 1 72.099998 1350.500000 1 73.000000 1350.500000 1 73.400002 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