MassBank Record: FFF00143



 5-beta-Androstan-17-beta-ol-3-one; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00143
RECORD_TITLE: 5-beta-Androstan-17-beta-ol-3-one; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+
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$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min
MS$FOCUSED_ION: BASE_PEAK 273.399994 MS$FOCUSED_ION: PRECURSOR_M/Z 273.100000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-00di-0090000000-6cd8a99a3916a9745d61 PK$NUM_PEAK: 185 PK$PEAK: m/z int. rel.int. 32.500000 1850.500000 1 66.800003 1850.500000 1 78.400002 3701.000000 1 79.599998 1850.500000 1 80.599998 3701.000000 1 81.099998 7402.000000 1 81.400002 1850.500000 1 82.800003 1850.500000 1 83.300003 3701.000000 1 92.699997 1850.500000 1 93.099998 3701.000000 1 94.649998 3701.000000 1 94.900002 3701.000000 1 96.400002 1850.500000 1 96.900002 5551.500000 1 97.299999 7402.000000 1 99.199997 1850.500000 1 104.699997 3701.000000 1 105.199997 3701.000000 1 105.900002 1850.500000 1 106.400002 1850.500000 1 106.885716 25907.000000 1 108.000000 1850.500000 1 108.599998 3701.000000 1 108.980000 18505.000000 1 109.300003 7402.000000 1 110.900002 1850.500000 1 111.300001 5551.500000 1 112.950001 3701.000000 1 116.599998 1850.500000 1 117.800003 1850.500000 1 119.199997 7402.000000 1 119.900002 3701.000000 1 120.199997 1850.500000 1 120.800003 27757.500000 1 121.025000 29608.000000 1 122.350002 3701.000000 1 122.812503 14804.000000 1 123.500000 5551.500000 1 124.599998 1850.500000 1 125.000000 5551.500000 1 131.300003 5551.500000 1 132.199997 1850.500000 1 133.025002 14804.000000 1 133.399994 11103.000000 1 133.800003 1850.500000 1 134.199997 1850.500000 1 134.399994 1850.500000 1 135.155001 74020.000000 2 136.000000 3701.000000 1 136.699997 1850.500000 1 137.399994 5551.500000 1 138.000000 1850.500000 1 138.699997 1850.500000 1 139.000000 3701.000000 1 143.000000 3701.000000 1 143.300003 1850.500000 1 143.800003 1850.500000 1 144.199997 1850.500000 1 144.500000 7402.000000 1 145.125929 49963.500000 1 146.000000 1850.500000 1 146.250000 3701.000000 1 147.196924 120282.500000 3 148.399994 3701.000000 1 148.600006 3701.000000 1 149.300003 16654.500000 1 149.500000 7402.000000 1 151.000000 9252.500000 1 152.750000 3701.000000 1 153.100006 5551.500000 1 154.899994 1850.500000 1 156.849998 3701.000000 1 157.300003 1850.500000 1 157.899994 1850.500000 1 158.100006 1850.500000 1 159.022224 83272.500000 2 160.100006 1850.500000 1 160.300003 1850.500000 1 161.073081 48113.000000 1 162.399994 1850.500000 1 162.600006 5551.500000 1 162.800003 9252.500000 1 163.250002 29608.000000 1 164.750000 3701.000000 1 165.224998 7402.000000 1 165.600006 3701.000000 1 167.399994 1850.500000 1 171.000000 11103.000000 1 172.199997 1850.500000 1 173.130000 74020.000000 2 174.849998 11103.000000 1 175.125004 14804.000000 1 176.000000 1850.500000 1 176.199997 3701.000000 1 176.800003 1850.500000 1 177.222226 33309.000000 1 177.699997 1850.500000 1 183.100006 1850.500000 1 184.300003 1850.500000 1 184.500000 1850.500000 1 185.218185 40711.000000 1 185.849998 3701.000000 1 186.199997 3701.000000 1 186.500000 3701.000000 1 187.399994 11103.000000 1 188.199997 1850.500000 1 188.500000 1850.500000 1 188.899994 11103.000000 1 189.240002 18505.000000 1 191.069234 24056.500000 1 192.399994 1850.500000 1 192.899994 1850.500000 1 195.199997 3701.000000 1 198.600006 5551.500000 1 198.924999 88824.000000 2 199.288234 94375.500000 2 200.000000 1850.500000 1 200.399994 5551.500000 1 201.308826 62917.000000 2 202.050003 3701.000000 1 202.300003 1850.500000 1 202.500000 1850.500000 1 202.899994 3701.000000 1 203.433329 11103.000000 1 205.000000 1850.500000 1 205.300003 1850.500000 1 205.899994 1850.500000 1 209.300003 1850.500000 1 210.800003 1850.500000 1 211.199997 1850.500000 1 212.100006 1850.500000 1 212.925001 29608.000000 1 213.500000 24056.500000 1 214.000000 1850.500000 1 214.500000 3701.000000 1 215.121054 35159.500000 1 215.399994 16654.500000 1 216.100006 3701.000000 1 216.300003 1850.500000 1 217.049995 14804.000000 1 217.600006 5551.500000 1 225.500000 1850.500000 1 226.000000 1850.500000 1 226.399994 1850.500000 1 227.052003 46262.500000 1 227.474998 14804.000000 1 227.899994 3701.000000 1 228.100006 1850.500000 1 229.233332 11103.000000 1 229.600006 1850.500000 1 230.100006 1850.500000 1 230.600006 1850.500000 1 231.000000 9252.500000 1 237.050003 3701.000000 1 237.300003 1850.500000 1 237.500000 1850.500000 1 239.899994 1850.500000 1 240.625004 7402.000000 1 241.199997 14804.000000 1 241.699997 3701.000000 1 244.100006 1850.500000 1 244.399994 1850.500000 1 244.816668 11103.000000 1 245.237501 29608.000000 1 245.600006 5551.500000 1 252.699997 1850.500000 1 253.299995 7402.000000 1 255.323062 5681035.000000 138 256.200012 5551.500000 1 258.299988 3701.000000 1 258.899994 3701.000000 1 259.399994 1850.500000 1 264.399994 1850.500000 1 265.000000 1850.500000 1 265.299988 1850.500000 1 268.299988 1850.500000 1 268.899994 1850.500000 1 269.899994 5551.500000 1 270.100006 3701.000000 1 270.974998 7402.000000 1 273.328389 41221738.000000 999 274.899994 1850.500000 1 275.200012 3701.000000 1 390.500000 1850.500000 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)