MassBank Record: FFF00199



 Genistein; LC-APPI-QQ; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00199
RECORD_TITLE: Genistein; LC-APPI-QQ; MS
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$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821100 min
MS$FOCUSED_ION: BASE_PEAK 271.399994 MS$FOCUSED_ION: ION_TYPE [M+H]+
PK$SPLASH: splash10-00di-0190000000-cf817be7ff212fa47a0a PK$NUM_PEAK: 143 PK$PEAK: m/z int. rel.int. 151.127387 4296718.000000 3 153.114439 7119096.500000 5 155.105312 6167466.000000 5 156.098195 1939525.500000 1 157.142244 5384653.000000 4 158.124954 4019107.000000 3 159.142532 7367946.000000 6 161.163639 19610341.000000 15 163.121709 12096086.500000 9 165.125082 6047418.000000 5 167.133344 3791516.000000 3 169.111842 5533462.500000 4 170.116514 2726090.000000 2 171.130853 8385853.000000 6 173.119936 10814324.000000 8 174.113080 3288815.000000 2 175.109609 10229090.000000 8 176.159067 1606892.500000 1 177.147818 7505501.000000 6 178.165920 1731942.500000 1 179.151731 8450879.000000 6 180.195513 3622698.500000 3 181.135670 7758102.000000 6 183.117956 15153559.000000 11 184.168051 3463885.000000 3 185.131118 8937323.500000 7 186.105627 3333833.000000 2 187.101349 13352839.000000 10 189.097150 18951327.500000 14 191.131017 6422568.000000 5 193.159741 8529660.500000 6 195.162579 14723387.000000 11 197.135315 35919362.000000 27 199.144646 16724187.000000 13 200.162037 2862394.500000 2 201.140540 7316675.500000 5 203.112812 15636252.000000 12 205.104422 7352940.000000 6 206.099281 1390556.000000 1 207.134902 5102040.000000 4 209.145967 7285413.000000 5 211.149776 13385352.000000 10 213.142474 11049418.000000 8 214.184511 3471388.000000 3 215.130128 12850138.000000 10 216.145886 1823229.000000 1 217.129456 6954030.500000 5 219.106407 4684373.000000 4 221.143227 5372148.000000 4 223.139141 10514204.000000 8 224.163574 2924919.500000 2 225.161456 8617195.500000 6 227.153244 8670967.000000 6 228.200533 2113345.000000 2 229.143295 5912364.000000 4 231.140352 7803120.000000 6 233.130063 4983242.500000 4 235.118186 5418416.500000 4 237.145990 30564721.000000 23 239.152879 9792665.500000 7 241.190837 7260403.000000 5 243.180732 6009903.000000 4 244.192217 1381802.500000 1 245.147439 4834433.000000 4 247.126051 6960283.000000 5 249.124280 7983192.000000 6 251.115092 5203330.500000 4 252.117287 1410564.000000 1 253.134160 4641856.000000 3 255.164178 9194926.500000 7 257.119499 11299518.000000 8 258.158119 2618547.000000 2 259.155561 5172068.000000 4 261.120292 5065775.500000 4 263.121837 5692276.000000 4 265.121758 6229991.000000 5 267.133718 4665615.500000 3 271.111503 1335123836.000000 999 275.149627 5538464.500000 4 277.155360 5272108.000000 4 279.164087 9178670.000000 7 281.177177 5314625.000000 4 283.130891 7407962.000000 6 285.122206 42777104.000000 32 287.116038 12349938.000000 9 289.206032 5348388.500000 4 291.187390 3847788.500000 3 293.148444 4661864.000000 3 295.172568 2634803.500000 2 297.218865 2863645.000000 2 299.139831 11572127.000000 9 301.173625 4636854.000000 3 303.209645 3215035.500000 2 304.272583 1085434.000000 1 305.247191 2716086.000000 2 307.217030 2467236.500000 2 309.186791 2953681.000000 2 311.228823 2420968.000000 2 313.185689 14627098.500000 11 315.216796 5152060.000000 4 317.161680 4346738.000000 3 319.216929 2304671.500000 2 321.249012 1964535.500000 1 323.213146 2397208.500000 2 325.189218 3038715.000000 2 327.179319 3083733.000000 2 329.177432 2005802.000000 2 331.144252 2175870.000000 2 333.145316 1788215.000000 1 335.209905 2095838.000000 2 336.192764 656512.500000 1 337.217250 2000800.000000 1 339.198115 2388455.000000 2 341.221996 1529361.500000 1 343.193358 1694427.500000 1 345.209067 1434323.500000 1 347.197911 1555622.000000 1 349.164115 3185023.500000 2 351.218711 1978291.000000 1 353.233121 2355942.000000 2 355.219041 1878251.000000 1 357.226281 1513105.000000 1 359.198798 1456832.500000 1 361.180692 21826227.000000 16 363.198772 2851140.000000 2 364.234002 750300.000000 1 365.220704 2343437.000000 2 367.286753 1755702.000000 1 369.369387 1838235.000000 1 371.326269 1923269.000000 1 373.244389 1002901.000000 1 375.232338 5777310.000000 4 377.199053 40422412.500000 30 381.265933 1247999.000000 1 383.305968 1383053.000000 1 385.307930 1135454.000000 1 387.305441 965386.000000 1 389.299331 1117947.000000 1 391.267828 8185773.000000 6 393.226282 5728540.500000 4 395.260345 1015406.000000 1 397.278644 737795.000000 1 399.349807 3881552.000000 3 //

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