MassBank Record: FFF00231



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

ACCESSION: FFF00231
RECORD_TITLE: Dihydrotestosterone; 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$NAME: Dihydrotestosterone CH$COMPOUND_CLASS: Natural Product; Steroid hormone CH$FORMULA: C19H30O2 CH$EXACT_MASS: 290.22458 CH$SMILES: O=C(C4)CC([H])(C3)C(C)(C4)C(C2)C(C3)C(C1)C(C)(C2)C(O)C1 CH$IUPAC: InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14?,15?,16?,17-,18?,19?/m0/s1 CH$LINK: CAS 521-18-6 CH$LINK: LIPIDBANK SST0297 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-FMFZMMAASA-N
AC$INSTRUMENT: API2000 AC$INSTRUMENT_TYPE: LC-APPI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821067 min
MS$FOCUSED_ION: BASE_PEAK 305.299988 MS$FOCUSED_ION: ION_TYPE [M+CH3]+
PK$SPLASH: splash10-0a4r-0093000000-9d864dd2e2bdcf1eb12f PK$NUM_PEAK: 116 PK$PEAK: m/z int. rel.int. 201.142732 18089040.000000 108 202.099494 4743370.500000 28 203.142203 11613804.000000 69 205.121677 6720358.500000 40 206.117187 2177088.000000 13 207.134146 7749873.000000 46 209.145853 20604297.000000 123 211.159443 24802395.000000 148 213.138451 23620804.500000 141 214.166581 9340668.000000 56 215.153362 19131561.000000 114 216.158342 4102050.000000 24 217.152011 7013505.000000 42 219.136905 6181089.000000 37 221.126120 10809402.000000 65 223.139944 13948971.000000 83 225.176145 18320155.500000 109 227.189060 19334662.500000 115 228.170133 5694846.000000 34 229.177529 12707350.500000 76 230.203504 4512255.000000 27 231.160601 16445218.500000 98 233.137712 8972484.000000 54 235.120612 10057026.000000 60 237.146524 37130556.000000 222 238.124157 9798897.000000 59 239.165604 12333163.500000 74 240.206143 3224611.500000 19 241.226526 10523259.000000 63 243.220274 12899446.500000 77 245.183830 10160077.500000 61 247.156603 12357175.500000 74 249.123963 13702848.000000 82 250.090789 4236117.000000 25 251.157624 9146571.000000 55 253.198408 12189091.500000 73 255.211464 55295634.000000 330 257.177459 18002997.000000 108 259.186750 16340166.000000 98 261.164546 18596293.500000 111 263.159583 21768879.000000 130 265.152013 13514754.000000 81 267.183812 17737864.500000 106 269.209757 24242115.000000 145 271.232195 54583278.000000 326 273.284864 43585782.000000 260 275.190228 11752873.500000 70 277.179340 12029011.500000 72 279.170596 19415703.000000 116 281.205446 7679838.000000 46 283.213390 13897945.500000 83 285.249740 29528757.000000 176 287.278905 70363164.000000 420 289.299496 23828908.500000 142 291.317215 40380180.000000 241 293.212753 5522760.000000 33 295.200843 3797898.000000 23 297.221718 4625311.500000 28 299.219371 6993495.000000 42 301.270177 10031013.000000 60 303.329835 23312650.500000 139 305.391317 167290603.500000 999 309.227402 3373686.000000 20 311.249645 3099549.000000 19 313.239229 4254126.000000 25 315.275978 6189093.000000 37 317.239651 4350174.000000 26 319.272467 4128063.000000 25 320.272883 1593796.500000 10 321.285924 3681840.000000 22 323.263176 2999499.000000 18 325.191785 2387193.000000 14 326.221743 929464.500000 6 327.199405 2350174.500000 14 328.199361 938469.000000 6 329.198673 2564281.500000 15 331.194501 2547273.000000 15 333.220667 3117558.000000 19 335.241142 2699349.000000 16 337.255448 3085542.000000 18 338.232293 1344672.000000 8 339.235367 2461230.000000 15 341.211759 1769884.500000 11 343.240610 1640820.000000 10 345.221108 1876938.000000 11 347.255359 2707353.000000 16 349.275811 2779389.000000 17 351.324687 5592795.000000 33 353.255698 2669334.000000 16 355.245812 2293146.000000 14 357.274799 1730865.000000 10 358.227355 892446.000000 5 359.234005 1688844.000000 10 361.240019 2115057.000000 13 363.241836 2463231.000000 15 364.265755 876438.000000 5 365.277410 2303151.000000 14 367.285352 1775887.500000 11 369.326996 2105052.000000 13 371.314083 2245122.000000 13 373.336464 1832916.000000 11 375.303337 2519259.000000 15 377.308143 3317658.000000 20 379.325916 1829914.500000 11 380.312796 844422.000000 5 381.298134 1500750.000000 9 383.314001 1300650.000000 8 385.365501 1029514.500000 6 387.324955 1122561.000000 7 389.331655 1112556.000000 7 391.378576 3091545.000000 18 393.329400 1517758.500000 9 394.335852 569284.500000 3 395.334532 1280640.000000 8 397.295283 1060530.000000 6 399.330744 1197598.500000 7 //

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