MassBank Record: FFF00213



 Dihydrotestosterone; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00213
RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+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$NAME: Dihydrotestosterone CH$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 MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820883 min
MS$FOCUSED_ION: BASE_PEAK 81.199997 MS$FOCUSED_ION: PRECURSOR_M/Z 273.200000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-055f-9400000000-cdfb215cad080bd876f3 PK$NUM_PEAK: 302 PK$PEAK: m/z int. rel.int. 37.900002 1350.500000 1 38.799999 1350.500000 1 39.099998 2701.000000 1 39.400002 1350.500000 1 40.200001 6752.500000 3 41.131034 156658.000000 63 41.900002 4051.500000 2 43.029032 83731.000000 34 44.099998 1350.500000 1 44.700001 1350.500000 1 45.200001 5402.000000 2 50.099998 1350.500000 1 50.299999 1350.500000 1 50.799999 1350.500000 1 51.124999 5402.000000 2 52.000000 2701.000000 1 52.200001 2701.000000 1 52.500000 4051.500000 2 53.200000 78329.000000 32 55.104247 699559.000000 282 56.074999 5402.000000 2 56.433334 8103.000000 3 56.900002 14855.500000 6 57.241667 32412.000000 13 58.700001 1350.500000 1 59.000000 2701.000000 1 59.400002 1350.500000 1 62.000000 1350.500000 1 62.500000 1350.500000 1 63.000000 2701.000000 1 63.200001 1350.500000 1 63.500000 1350.500000 1 63.799999 1350.500000 1 64.000000 2701.000000 1 65.232727 74277.500000 30 66.188459 35113.000000 14 67.106048 1295129.500000 522 69.067407 364635.000000 147 70.000000 6752.500000 3 71.229999 13505.000000 5 72.800003 1350.500000 1 74.250000 2701.000000 1 74.500000 1350.500000 1 74.900002 1350.500000 1 75.099998 1350.500000 1 75.400002 2701.000000 1 75.884617 17556.500000 7 77.042798 984514.500000 397 79.057489 2172954.500000 876 81.123553 2052760.000000 828 83.089131 186369.000000 75 83.875002 5402.000000 2 84.699997 1350.500000 1 85.000000 1350.500000 1 85.500000 1350.500000 1 86.900002 1350.500000 1 88.599998 8103.000000 3 89.099998 5402.000000 2 89.813334 40515.000000 16 91.066849 2476817.000000 999 93.108127 1362654.500000 550 95.128621 783290.000000 316 95.942858 18907.000000 8 97.082500 216080.000000 87 98.099998 1350.500000 1 98.699997 1350.500000 1 99.149998 5402.000000 2 99.400002 4051.500000 2 101.099998 1350.500000 1 101.599998 2701.000000 1 102.000000 5402.000000 2 103.126415 143153.000000 58 105.063357 1496354.000000 604 105.978948 25659.500000 10 107.086702 507788.000000 205 108.033333 24309.000000 10 109.107086 343027.000000 138 109.975000 5402.000000 2 110.300003 1350.500000 1 110.500000 2701.000000 1 111.224998 10804.000000 4 111.699997 2701.000000 1 112.800003 1350.500000 1 113.300003 1350.500000 1 113.599998 2701.000000 1 113.800003 1350.500000 1 115.141379 156658.000000 63 115.699997 16206.000000 7 116.018604 58071.500000 23 116.300003 29711.000000 12 117.088421 256595.000000 103 119.075226 447015.500000 180 119.966667 16206.000000 7 121.088636 118844.000000 48 123.029946 252543.500000 102 124.800003 5402.000000 2 125.000000 2701.000000 1 126.000000 2701.000000 1 126.500000 6752.500000 3 129.102501 378140.000000 153 130.159523 170163.000000 69 131.153912 310615.000000 125 132.100006 8103.000000 3 132.300003 8103.000000 3 132.600006 8103.000000 3 133.209376 86432.000000 35 133.800003 4051.500000 2 134.300003 2701.000000 1 134.500000 2701.000000 1 135.054998 27010.000000 11 136.500000 1350.500000 1 136.825001 5402.000000 2 137.199997 2701.000000 1 137.500000 1350.500000 1 138.740002 6752.500000 3 139.399994 4051.500000 2 140.050003 5402.000000 2 141.120833 64824.000000 26 142.064367 117493.500000 47 143.037929 156658.000000 63 144.133782 99937.000000 40 145.152713 174214.500000 70 145.825001 5402.000000 2 146.199997 8103.000000 3 147.100006 20257.500000 8 147.399994 25659.500000 10 147.800003 2701.000000 1 148.200005 5402.000000 2 148.500000 1350.500000 1 148.699997 5402.000000 2 149.000000 5402.000000 2 149.371427 9453.500000 4 149.699997 1350.500000 1 150.100006 1350.500000 1 150.399994 1350.500000 1 150.600006 2701.000000 1 151.300003 5402.000000 2 151.800003 9453.500000 4 152.500000 17556.500000 7 153.000000 14855.500000 6 153.199997 8103.000000 3 153.800003 2701.000000 1 154.000000 6752.500000 3 154.709998 13505.000000 5 155.154547 59422.000000 24 156.022580 41865.500000 17 157.232499 54020.000000 22 157.966668 24309.000000 10 158.913631 29711.000000 12 160.349998 5402.000000 2 160.650002 2701.000000 1 161.100006 9453.500000 4 161.750000 2701.000000 1 162.000000 4051.500000 2 162.899994 16206.000000 7 163.100006 6752.500000 3 163.550003 2701.000000 1 164.100006 1350.500000 1 164.399994 1350.500000 1 165.183332 8103.000000 3 165.600006 2701.000000 1 165.849998 5402.000000 2 166.100006 2701.000000 1 166.300003 2701.000000 1 166.600006 2701.000000 1 167.300003 5402.000000 2 167.800003 2701.000000 1 168.199997 5402.000000 2 169.147619 28360.500000 11 169.674999 5402.000000 2 169.949997 16206.000000 7 171.105264 51319.000000 21 171.800003 1350.500000 1 172.150002 5402.000000 2 172.733332 8103.000000 3 173.199997 9453.500000 4 173.399994 9453.500000 4 173.699997 1350.500000 1 174.150002 2701.000000 1 175.000000 4051.500000 2 175.199997 4051.500000 2 175.759998 6752.500000 3 176.100006 5402.000000 2 176.650002 2701.000000 1 177.199997 4051.500000 2 177.399994 2701.000000 1 178.200002 8103.000000 3 178.899994 1350.500000 1 179.199997 5402.000000 2 179.699997 1350.500000 1 179.899994 2701.000000 1 180.800003 2701.000000 1 181.050003 2701.000000 1 181.399994 2701.000000 1 182.000000 2701.000000 1 182.500000 2701.000000 1 182.874996 5402.000000 2 183.166672 8103.000000 3 184.050003 2701.000000 1 184.300003 2701.000000 1 184.500000 2701.000000 1 184.800003 5402.000000 2 185.162502 21608.000000 9 186.000000 2701.000000 1 186.300003 1350.500000 1 186.766668 8103.000000 3 187.100003 20257.500000 8 187.499995 8103.000000 3 188.092856 37814.000000 15 189.225455 74277.500000 30 190.100006 2701.000000 1 190.300003 5402.000000 2 191.000000 2701.000000 1 191.250000 2701.000000 1 191.800003 1350.500000 1 192.399994 2701.000000 1 192.800003 1350.500000 1 195.199997 1350.500000 1 196.199997 1350.500000 1 196.600006 1350.500000 1 197.100001 4051.500000 2 197.449997 5402.000000 2 197.899994 1350.500000 1 198.100006 2701.000000 1 198.399994 2701.000000 1 199.114284 18907.000000 8 200.118754 21608.000000 9 200.483332 8103.000000 3 201.076195 28360.500000 11 202.075880 268749.500000 108 202.724998 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