MassBank Record: FFF00197



 Genistein; LC-APPI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00197
RECORD_TITLE: Genistein; LC-APPI-QQ; MS2; CE:20 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$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min
MS$FOCUSED_ION: BASE_PEAK 271.200012 MS$FOCUSED_ION: PRECURSOR_M/Z 271.200000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-0090000000-4045f471e10774927fb0 PK$NUM_PEAK: 254 PK$PEAK: m/z int. rel.int. 43.200001 1350.500000 1 45.299999 1350.500000 1 53.000000 1350.500000 1 55.299999 1350.500000 1 57.299999 2701.000000 1 64.699997 2701.000000 1 65.099998 5402.000000 1 65.400002 5402.000000 1 67.099998 2701.000000 1 67.400002 1350.500000 1 67.900002 2701.000000 1 68.099998 1350.500000 1 68.300003 1350.500000 1 68.599998 1350.500000 1 69.199999 8103.000000 1 71.199997 1350.500000 1 71.400002 2701.000000 1 75.400002 1350.500000 1 76.099998 1350.500000 1 76.400002 1350.500000 1 76.800003 1350.500000 1 78.950001 2701.000000 1 81.199997 1350.500000 1 82.850002 2701.000000 1 86.900002 1350.500000 1 88.800003 1350.500000 1 89.099998 1350.500000 1 89.750000 2701.000000 1 90.000000 1350.500000 1 90.375002 5402.000000 1 90.893752 21608.000000 1 91.127776 24309.000000 1 91.400002 14855.500000 1 91.950001 2701.000000 1 92.800003 1350.500000 1 93.199997 1350.500000 1 94.099998 1350.500000 1 94.800003 2701.000000 1 95.149998 2701.000000 1 96.900002 2701.000000 1 97.300003 1350.500000 1 97.500000 1350.500000 1 97.900002 2701.000000 1 102.500000 1350.500000 1 102.800003 1350.500000 1 104.599998 1350.500000 1 104.900002 5402.000000 1 105.400002 2701.000000 1 106.500000 1350.500000 1 106.900002 4051.500000 1 107.199997 2701.000000 1 107.400002 1350.500000 1 108.099998 1350.500000 1 108.900002 2701.000000 1 109.099998 2701.000000 1 109.500000 2701.000000 1 110.599998 1350.500000 1 111.133331 8103.000000 1 111.500000 1350.500000 1 113.099998 1350.500000 1 114.500000 1350.500000 1 115.000000 4051.500000 1 115.300003 2701.000000 1 115.500000 1350.500000 1 115.950001 2701.000000 1 117.300003 1350.500000 1 117.900002 2701.000000 1 118.149998 2701.000000 1 118.699997 4051.500000 1 119.199997 9453.500000 1 119.900002 1350.500000 1 120.699997 5402.000000 1 121.000000 10804.000000 1 121.900002 1350.500000 1 122.599998 1350.500000 1 123.199997 2701.000000 1 123.500000 1350.500000 1 123.950001 2701.000000 1 125.099998 1350.500000 1 126.800003 1350.500000 1 127.400002 1350.500000 1 127.950001 2701.000000 1 128.899994 5402.000000 1 130.699997 1350.500000 1 130.966665 8103.000000 1 131.800003 1350.500000 1 132.399994 1350.500000 1 132.849998 8103.000000 1 133.200003 9453.500000 1 133.899994 1350.500000 1 134.699997 2701.000000 1 134.899994 5402.000000 1 135.300003 1350.500000 1 135.600006 1350.500000 1 136.766668 8103.000000 1 137.100006 1350.500000 1 138.800003 2701.000000 1 140.500000 2701.000000 1 141.144446 24309.000000 1 142.600006 1350.500000 1 143.399994 1350.500000 1 143.849998 5402.000000 1 144.981817 118844.000000 2 146.300003 1350.500000 1 147.266668 8103.000000 1 147.600006 4051.500000 1 147.800003 2701.000000 1 148.100006 4051.500000 1 149.024617 175565.000000 3 150.399994 1350.500000 1 150.699997 2701.000000 1 151.100006 2701.000000 1 151.300003 1350.500000 1 151.500000 1350.500000 1 151.800003 4051.500000 1 152.999442 484829.500000 7 154.650002 2701.000000 1 155.300003 2701.000000 1 156.399994 1350.500000 1 157.000000 2701.000000 1 157.300003 2701.000000 1 158.000000 2701.000000 1 158.199997 5402.000000 1 159.079310 78329.000000 1 159.800003 1350.500000 1 160.199997 1350.500000 1 160.600006 1350.500000 1 160.825001 5402.000000 1 161.250000 10804.000000 1 162.500000 1350.500000 1 163.349998 2701.000000 1 163.600006 1350.500000 1 164.919997 27010.000000 1 165.265386 35113.000000 1 166.899994 1350.500000 1 167.399994 1350.500000 1 167.699997 2701.000000 1 168.000000 1350.500000 1 168.300003 2701.000000 1 169.094595 49968.500000 1 170.650002 2701.000000 1 171.299998 8103.000000 1 173.100006 9453.500000 1 173.899994 2701.000000 1 174.800003 2701.000000 1 175.215386 17556.500000 1 176.650002 2701.000000 1 177.199997 1350.500000 1 177.399994 2701.000000 1 177.800003 1350.500000 1 178.300003 2701.000000 1 179.199997 9453.500000 1 179.500000 4051.500000 1 180.349998 2701.000000 1 181.399994 5402.000000 1 181.699997 1350.500000 1 182.800003 1350.500000 1 183.000000 9453.500000 1 183.275002 5402.000000 1 184.100006 1350.500000 1 184.300003 1350.500000 1 184.979997 13505.000000 1 185.449997 8103.000000 1 185.699997 1350.500000 1 187.198077 70226.000000 1 187.699997 1350.500000 1 188.300003 1350.500000 1 189.100006 1350.500000 1 189.399999 8103.000000 1 190.699997 1350.500000 1 190.899994 2701.000000 1 191.100006 1350.500000 1 191.399994 1350.500000 1 193.075005 10804.000000 1 193.300003 5402.000000 1 195.100006 1350.500000 1 195.399994 1350.500000 1 197.093901 110741.000000 2 197.899994 1350.500000 1 198.500000 1350.500000 1 199.449997 5402.000000 1 200.140002 13505.000000 1 200.399994 8103.000000 1 200.985713 18907.000000 1 202.250000 2701.000000 1 203.142857 9453.500000 1 204.300003 1350.500000 1 207.000000 1350.500000 1 208.399994 1350.500000 1 209.199997 1350.500000 1 210.000000 2701.000000 1 210.300003 1350.500000 1 210.962502 21608.000000 1 211.300003 9453.500000 1 211.500000 4051.500000 1 211.800003 1350.500000 1 212.300003 1350.500000 1 212.899994 6752.500000 1 213.249997 16206.000000 1 213.600006 4051.500000 1 215.085394 1146574.500000 18 217.100006 1350.500000 1 220.800003 1350.500000 1 221.000000 2701.000000 1 221.250000 2701.000000 1 221.600006 1350.500000 1 223.699997 1350.500000 1 223.899994 1350.500000 1 224.150002 2701.000000 1 224.399994 4051.500000 1 225.082357 45917.000000 1 225.800003 1350.500000 1 226.150002 10804.000000 1 226.424995 5402.000000 1 227.040002 13505.000000 1 227.466665 8103.000000 1 227.899994 1350.500000 1 228.199997 8103.000000 1 228.399994 2701.000000 1 228.938458 17556.500000 1 229.331250 21608.000000 1 230.800003 2701.000000 1 231.100006 1350.500000 1 234.800003 1350.500000 1 235.199997 2701.000000 1 237.199997 2701.000000 1 238.349998 8103.000000 1 238.954997 27010.000000 1 239.325001 27010.000000 1 240.199997 1350.500000 1 241.174999 5402.000000 1 241.600006 1350.500000 1 243.130864 984514.500000 15 244.000000 1350.500000 1 244.399994 1350.500000 1 246.899994 1350.500000 1 251.899994 2701.000000 1 252.100006 1350.500000 1 253.068441 380841.000000 6 254.250000 2701.000000 1 255.849998 2701.000000 1 256.100006 2701.000000 1 256.700012 2701.000000 1 262.600006 1350.500000 1 264.500000 1350.500000 1 266.000000 1350.500000 1 266.774994 5402.000000 1 267.399994 1350.500000 1 267.700012 1350.500000 1 268.100006 5402.000000 1 268.366659 8103.000000 1 271.105335 64845608.000000 999 273.000000 2701.000000 1 273.250000 2701.000000 1 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)