MassBank Record: FFF00219



 Dihydrotestosterone; LC-APPI-QQ; MS2; CE:60 V; [M-2H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00219
RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:60 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 0.820833 min
MS$FOCUSED_ION: BASE_PEAK 79.000000 MS$FOCUSED_ION: PRECURSOR_M/Z 255.200000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-2H2O+H]+
PK$SPLASH: splash10-056u-9700000000-471c2c7b3f9e7666d6d7 PK$NUM_PEAK: 237 PK$PEAK: m/z int. rel.int. 36.599998 1350.500000 1 39.099998 9453.500000 2 39.700001 2701.000000 1 41.121118 217430.500000 46 41.950001 2701.000000 1 43.116666 97236.000000 20 43.700001 2701.000000 1 44.400002 1350.500000 1 45.199999 4051.500000 1 49.799999 1350.500000 1 50.549999 2701.000000 1 50.900002 5402.000000 1 51.099998 4051.500000 1 51.299999 4051.500000 1 51.599998 1350.500000 1 52.099998 4051.500000 1 53.098387 167462.000000 35 55.102548 1272171.000000 267 56.250000 2701.000000 1 57.077778 24309.000000 5 58.800001 4051.500000 1 59.250000 2701.000000 1 62.700001 1350.500000 1 63.049999 2701.000000 1 63.400002 2701.000000 1 64.000000 8103.000000 2 64.199997 8103.000000 2 65.073057 260646.500000 55 67.123629 2240479.500000 470 68.266666 16206.000000 3 69.099999 202575.000000 42 70.199997 1350.500000 1 70.599998 1350.500000 1 71.049999 2701.000000 1 73.300001 4051.500000 1 73.900002 2701.000000 1 74.300003 1350.500000 1 74.699999 4051.500000 1 75.000000 1350.500000 1 75.283335 8103.000000 2 77.059439 2117584.000000 444 79.063612 2946791.000000 618 81.121640 1959575.500000 411 82.300003 2701.000000 1 83.400002 10804.000000 2 85.099998 1350.500000 1 86.900002 1350.500000 1 87.800003 1350.500000 1 88.000000 1350.500000 1 88.199997 1350.500000 1 88.500000 6752.500000 1 91.081411 4765914.500000 999 93.087368 1026380.000000 215 95.081160 745476.000000 156 95.900002 4051.500000 1 96.149998 2701.000000 1 96.699997 1350.500000 1 97.000000 4051.500000 1 97.300003 2701.000000 1 98.900002 1350.500000 1 99.500000 1350.500000 1 99.900002 1350.500000 1 100.649998 2701.000000 1 100.900002 1350.500000 1 102.300003 14855.500000 3 103.073745 349779.500000 73 105.044121 2871163.000000 602 107.047369 359233.000000 75 108.199997 4051.500000 1 108.400002 5402.000000 1 108.991429 47267.500000 10 111.199997 1350.500000 1 111.900002 1350.500000 1 112.199997 1350.500000 1 112.500000 1350.500000 1 112.900002 4051.500000 1 113.149998 8103.000000 2 115.064128 850815.000000 178 117.097590 896732.000000 188 117.864288 37814.000000 8 118.176664 40515.000000 8 118.400002 28360.500000 6 119.058608 737373.000000 155 120.900002 17556.500000 4 121.168747 21608.000000 5 121.500000 4051.500000 1 122.800003 5402.000000 1 123.099998 1350.500000 1 123.300003 2701.000000 1 124.900002 5402.000000 1 125.149998 2701.000000 1 126.209998 13505.000000 3 128.108422 1539570.000000 323 129.096182 1485550.000000 311 130.148128 505087.000000 106 131.156970 668497.500000 140 131.699997 6752.500000 1 132.109998 27010.000000 6 133.189132 124246.000000 26 134.000000 1350.500000 1 134.199997 1350.500000 1 135.133331 8103.000000 2 135.399994 4051.500000 1 136.899994 1350.500000 1 137.300003 2701.000000 1 137.600006 1350.500000 1 138.199997 2701.000000 1 139.085714 75628.000000 16 140.150000 27010.000000 6 141.107290 518592.000000 109 142.101871 505087.000000 106 143.113468 731971.000000 153 144.132383 141802.500000 30 145.136575 291708.000000 61 145.800003 2701.000000 1 146.133331 8103.000000 2 146.683332 8103.000000 2 147.222856 47267.500000 10 149.000000 2701.000000 1 149.399994 2701.000000 1 150.300003 1350.500000 1 150.699997 2701.000000 1 150.989999 13505.000000 3 151.199997 4051.500000 1 151.399994 4051.500000 1 152.000000 22958.500000 5 153.031371 137751.000000 29 155.086171 380841.000000 80 156.103030 133699.500000 28 157.182906 316017.000000 66 159.119567 124246.000000 26 160.174999 5402.000000 1 160.399994 1350.500000 1 160.699997 1350.500000 1 160.924995 5402.000000 1 161.199997 9453.500000 2 161.399994 5402.000000 1 162.100006 1350.500000 1 163.250000 2701.000000 1 163.750000 2701.000000 1 164.000000 2701.000000 1 164.300003 1350.500000 1 164.699997 21608.000000 5 165.068421 76978.500000 16 165.750000 16206.000000 3 166.300003 6752.500000 1 167.155771 70226.000000 15 168.165116 58071.500000 12 169.123359 185018.500000 39 171.125640 158008.500000 33 172.100006 8103.000000 2 173.266666 24309.000000 5 173.899994 1350.500000 1 175.100006 1350.500000 1 175.300003 2701.000000 1 175.600006 1350.500000 1 176.199997 4051.500000 1 177.100006 2701.000000 1 177.300003 1350.500000 1 177.600006 2701.000000 1 178.066671 12154.500000 3 178.899994 8103.000000 2 179.200000 6752.500000 1 179.550003 2701.000000 1 179.899994 2701.000000 1 180.374996 5402.000000 1 181.024999 32412.000000 7 181.899994 6752.500000 1 182.100006 6752.500000 1 182.411111 24309.000000 5 183.096160 35113.000000 7 184.125004 21608.000000 5 185.162745 137751.000000 29 186.000000 2701.000000 1 186.949997 2701.000000 1 187.375000 10804.000000 2 188.949997 2701.000000 1 189.199997 1350.500000 1 189.399994 1350.500000 1 189.949997 2701.000000 1 190.399994 2701.000000 1 190.899994 1350.500000 1 191.399994 1350.500000 1 191.699997 1350.500000 1 191.899994 2701.000000 1 192.100006 1350.500000 1 192.600006 1350.500000 1 192.849998 2701.000000 1 193.100006 2701.000000 1 193.300003 2701.000000 1 194.199997 2701.000000 1 195.033335 8103.000000 2 195.400002 5402.000000 1 196.075005 5402.000000 1 196.399994 2701.000000 1 197.200000 40515.000000 8 198.133336 8103.000000 2 198.500000 4051.500000 1 199.287502 21608.000000 5 199.512501 10804.000000 2 200.016665 32412.000000 7 201.333333 8103.000000 2 203.050003 5402.000000 1 203.800003 1350.500000 1 204.100006 1350.500000 1 206.000000 1350.500000 1 207.250000 2701.000000 1 207.500000 1350.500000 1 208.300003 4051.500000 1 209.300003 1350.500000 1 210.199997 1350.500000 1 210.399994 2701.000000 1 211.250004 10804.000000 2 211.600006 1350.500000 1 212.000000 1350.500000 1 212.199997 1350.500000 1 212.500000 5402.000000 1 212.800003 1350.500000 1 213.166667 8103.000000 2 213.500000 4051.500000 1 213.899994 1350.500000 1 216.800003 1350.500000 1 221.300003 1350.500000 1 223.174999 5402.000000 1 224.195744 63473.500000 13 226.157771 399748.000000 84 227.150002 5402.000000 1 227.550003 5402.000000 1 229.050003 2701.000000 1 239.199997 2701.000000 1 251.800003 1350.500000 1 252.300003 1350.500000 1 252.699997 2701.000000 1 253.199997 2701.000000 1 253.600006 1350.500000 1 255.150002 5402.000000 1 255.500000 1350.500000 1 //

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