MassBank Record: FFF00144



 5-beta-Androstan-17-beta-ol-3-one; LC-APPI-QQ; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00144
RECORD_TITLE: 5-beta-Androstan-17-beta-ol-3-one; LC-APPI-QQ; MS
DATE: 2016.01.19 (2011.04.04, 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$NAME: 5-beta-Androstan-17-beta-ol-3-one CH$NAME: 5-beta-Dihydrotestosterone CH$NAME: Etiocholane-17-beta-ol-3-one CH$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?/m1/s1 CH$LINK: CAS 571-22-2 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-NOLKSFPRSA-N
AC$INSTRUMENT: API2000 AC$INSTRUMENT_TYPE: LC-APPI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821083 min
MS$FOCUSED_ION: BASE_PEAK 255.100006 MS$FOCUSED_ION: ION_TYPE [M-2H2O+H]+,[M-H2O+H]+
PK$SPLASH: splash10-0ab9-0092000000-9387e7143382f948d996 PK$NUM_PEAK: 102 PK$PEAK: m/z int. rel.int. 201.171892 15120556.500000 41 202.144301 4257127.500000 12 203.139527 10456225.500000 28 205.126349 9917956.500000 27 207.133904 8764380.000000 24 209.145711 15511752.000000 42 211.153428 15688840.500000 43 213.138015 17722857.000000 48 214.194483 3626812.500000 10 215.177111 17781886.500000 48 216.194720 3334666.500000 9 217.150975 6771384.000000 18 218.113820 2331165.000000 6 219.130644 7117557.000000 19 221.122132 12296145.000000 33 223.139781 19425708.000000 53 224.171696 4694346.000000 13 225.176381 12928461.000000 35 227.181284 15021507.000000 41 229.186130 11786890.500000 32 231.157837 25907947.500000 71 233.144396 12104049.000000 33 235.119388 10661328.000000 29 237.145536 20732361.000000 56 239.189521 11323659.000000 31 241.232917 9926961.000000 27 243.219600 12965479.500000 35 245.179327 20056023.000000 55 247.160262 28128057.000000 77 249.149784 26626306.500000 73 251.178304 20742366.000000 57 253.227940 47797887.000000 130 255.257412 366683250.000000 999 259.172667 28031008.500000 76 261.161910 34409196.000000 94 263.162567 31869927.000000 87 265.163591 28336161.000000 77 267.192557 41535757.500000 113 269.215375 79506733.500000 217 271.233103 154867395.000000 422 273.279886 181228569.000000 494 277.166417 11767881.000000 32 279.180439 21175582.500000 58 281.200248 15345669.000000 42 283.191723 23184586.500000 63 285.255369 47671824.000000 130 287.288249 111093519.000000 303 289.288576 26975481.000000 73 291.262932 13802898.000000 38 293.214466 6169083.000000 17 295.188948 5757877.500000 16 297.216119 7150573.500000 19 299.218024 9769882.500000 27 301.264257 13396695.000000 36 303.338133 31431708.000000 86 305.382484 213592743.000000 582 309.237450 5540769.000000 15 311.248913 5702850.000000 16 313.244750 4945471.500000 13 315.255852 4650324.000000 13 317.238066 3290644.500000 9 319.275401 3180589.500000 9 321.252414 3626812.500000 10 323.243426 4626312.000000 13 325.202335 3684841.500000 10 327.208327 2499249.000000 7 329.190921 2314156.500000 6 331.208682 2581290.000000 7 333.202724 3453726.000000 9 335.220773 3082540.500000 8 337.248024 3441720.000000 9 339.222870 2677338.000000 7 341.238477 1996998.000000 5 343.232303 1876938.000000 5 345.242896 2225112.000000 6 347.245167 3353676.000000 9 349.242199 2949474.000000 8 351.274436 2880439.500000 8 353.267740 2549274.000000 7 355.260000 2041020.000000 6 357.287695 4764381.000000 13 359.249114 2937468.000000 8 361.251223 3765882.000000 10 363.246514 2697348.000000 7 365.248118 2499249.000000 7 367.274864 2197098.000000 6 369.326582 1896948.000000 5 371.337425 2983491.000000 8 373.313277 2803401.000000 8 375.290123 3828913.500000 10 377.298730 3621810.000000 10 379.312634 2423211.000000 7 381.297322 1419709.500000 4 383.326512 1554777.000000 4 385.314417 1401700.500000 4 387.337718 1490745.000000 4 389.317159 1632816.000000 4 391.373409 3551775.000000 10 393.357702 1889944.500000 5 395.335065 1078539.000000 3 397.300757 1057528.500000 3 399.324891 1848924.000000 5 //

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