MassBank Record: FFF00222



 Dihydrotestosterone; LC-APPI-QQ; MS2; CE:30 V; [M-2H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00222
RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:30 V; [M-2H2O+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 0.820867 min
MS$FOCUSED_ION: BASE_PEAK 255.399994 MS$FOCUSED_ION: PRECURSOR_M/Z 255.200000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-2H2O+H]+
PK$SPLASH: splash10-0a4i-2940000000-e41816701cd645c4e22e PK$NUM_PEAK: 207 PK$PEAK: m/z int. rel.int. 40.799999 1350.500000 1 41.099998 1350.500000 1 43.199999 8103.000000 1 44.750000 2701.000000 1 47.099998 2701.000000 1 52.900002 2701.000000 1 53.200001 1350.500000 1 53.400002 1350.500000 1 53.700001 2701.000000 1 54.250000 2701.000000 1 55.147059 45917.000000 5 55.900002 1350.500000 1 56.400002 1350.500000 1 56.599998 2701.000000 1 56.900002 2701.000000 1 57.400002 4051.500000 1 59.099998 1350.500000 1 65.149998 2701.000000 1 65.450001 2701.000000 1 65.975000 5402.000000 1 67.159375 302512.000000 30 68.099998 4051.500000 1 69.146296 145854.000000 15 70.099998 1350.500000 1 70.500000 2701.000000 1 70.900002 2701.000000 1 71.199997 2701.000000 1 72.599998 2701.000000 1 76.199997 1350.500000 1 76.400002 2701.000000 1 77.115385 35113.000000 4 77.900002 2701.000000 1 79.075000 442964.000000 45 81.114445 1570631.500000 158 82.000000 8103.000000 1 83.093940 178266.000000 18 83.800003 4051.500000 1 85.149998 2701.000000 1 85.500000 1350.500000 1 86.699997 1350.500000 1 88.000000 1350.500000 1 89.500000 5402.000000 1 89.990000 13505.000000 1 90.300003 9453.500000 1 91.048876 480778.000000 48 91.800003 8103.000000 1 93.063881 1002071.000000 101 95.048841 1631404.000000 164 96.224998 5402.000000 1 97.070587 45917.000000 5 97.800003 1350.500000 1 99.599998 1350.500000 1 102.199997 1350.500000 1 102.500000 2701.000000 1 103.300000 13505.000000 1 103.599998 9453.500000 1 105.019066 1388314.000000 140 107.038365 1404520.000000 141 107.900002 9453.500000 1 109.138053 610426.000000 61 110.000000 2701.000000 1 110.700001 5402.000000 1 111.099998 4051.500000 1 111.375002 5402.000000 1 112.800003 1350.500000 1 114.199997 4051.500000 1 114.962501 10804.000000 1 115.800003 1350.500000 1 116.199997 5402.000000 1 117.125247 272801.000000 27 119.083227 845413.000000 85 120.099998 12154.500000 1 121.094905 715765.000000 72 122.928573 103988.500000 10 124.400002 1350.500000 1 124.800003 2701.000000 1 126.599998 1350.500000 1 126.800003 2701.000000 1 127.199997 2701.000000 1 129.135714 189070.000000 19 131.147856 756280.000000 76 133.133512 1007473.000000 101 134.177778 12154.500000 1 135.082370 444314.500000 45 136.449997 2701.000000 1 137.125807 41865.500000 4 138.500000 4051.500000 1 139.199997 5402.000000 1 139.899994 1350.500000 1 140.399994 2701.000000 1 140.816668 8103.000000 1 141.199997 6752.500000 1 142.149998 64824.000000 7 143.099349 414603.500000 42 145.121673 1969029.000000 198 147.145324 1501756.000000 151 148.300003 8103.000000 1 149.098058 278203.000000 28 150.100006 1350.500000 1 151.233332 8103.000000 1 151.799998 4051.500000 1 152.100006 5402.000000 1 152.300003 5402.000000 1 152.699997 1350.500000 1 152.899994 1350.500000 1 153.283335 8103.000000 1 153.550003 2701.000000 1 154.100006 2701.000000 1 154.300003 1350.500000 1 155.194120 45917.000000 5 155.962498 21608.000000 2 157.146512 522643.500000 53 159.133720 3027821.000000 304 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97236.000000 10 190.500000 1350.500000 1 192.199997 2701.000000 1 192.699997 5402.000000 1 193.000000 1350.500000 1 193.199997 2701.000000 1 193.500000 1350.500000 1 193.874996 5402.000000 1 194.224998 5402.000000 1 195.134374 86432.000000 9 196.000000 9453.500000 1 196.229999 13505.000000 1 197.239130 62123.000000 6 199.206929 2533538.000000 255 201.279710 93184.500000 9 202.800003 1350.500000 1 203.600006 1350.500000 1 203.950001 5402.000000 1 205.250000 2701.000000 1 205.800003 1350.500000 1 207.125004 5402.000000 1 208.000000 4051.500000 1 209.177775 24309.000000 2 209.899994 1350.500000 1 210.275002 5402.000000 1 211.114034 76978.500000 8 213.221622 949401.500000 95 214.199997 17556.500000 2 214.899994 1350.500000 1 215.399994 1350.500000 1 216.800003 1350.500000 1 221.899994 5402.000000 1 223.190002 81030.000000 8 223.849998 5402.000000 1 224.150002 2701.000000 1 224.500000 1350.500000 1 226.131252 108040.000000 11 227.225940 718466.000000 72 234.899994 1350.500000 1 235.100006 1350.500000 1 236.800001 9453.500000 1 237.179999 13505.000000 1 237.500000 4051.500000 1 238.199997 1350.500000 1 238.800003 1350.500000 1 239.025002 5402.000000 1 239.399994 5402.000000 1 240.289393 89133.000000 9 241.000000 1350.500000 1 251.150002 2701.000000 1 251.449997 2701.000000 1 252.349998 2701.000000 1 253.378572 37814.000000 4 255.326111 9941030.500000 999 256.600006 1350.500000 1 257.000000 1350.500000 1 //

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