MassBank Record: FFF00216



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

ACCESSION: FFF00216
RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:30 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 0.820833 min
MS$FOCUSED_ION: BASE_PEAK 123.199997 MS$FOCUSED_ION: PRECURSOR_M/Z 273.200000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-0ab9-2950000000-1a0a0fd511d0b4f90fb0 PK$NUM_PEAK: 261 PK$PEAK: m/z int. rel.int. 38.700001 1350.500000 1 41.299999 1350.500000 1 42.099998 1350.500000 1 42.900002 6752.500000 2 43.299999 5402.000000 2 44.500000 1350.500000 1 52.799999 1350.500000 1 53.299999 2701.000000 1 54.200001 2701.000000 1 54.500000 4051.500000 1 55.028572 18907.000000 5 55.799999 1350.500000 1 56.000000 1350.500000 1 56.400002 1350.500000 1 56.650000 2701.000000 1 56.900002 4051.500000 1 57.166667 8103.000000 2 58.900002 1350.500000 1 59.400002 1350.500000 1 62.799999 1350.500000 1 64.699997 1350.500000 1 64.900002 1350.500000 1 65.099998 2701.000000 1 66.000000 1350.500000 1 66.599998 14855.500000 4 67.096039 136400.500000 40 68.350002 5402.000000 2 69.091305 124246.000000 36 70.099998 2701.000000 1 71.139998 13505.000000 4 72.750000 2701.000000 1 76.199997 1350.500000 1 76.500000 2701.000000 1 76.699997 6752.500000 2 77.049999 10804.000000 3 78.500000 12154.500000 4 79.001493 180967.000000 52 79.400002 28360.500000 8 81.107197 713064.000000 207 82.233332 8103.000000 2 83.123009 152606.500000 44 84.500000 6752.500000 2 85.100000 13505.000000 4 87.500000 1350.500000 1 88.800003 1350.500000 1 89.300003 1350.500000 1 89.599998 2701.000000 1 91.060000 175565.000000 51 91.975000 16206.000000 5 93.107114 683353.000000 198 95.037736 715765.000000 207 96.066666 8103.000000 2 97.074242 356532.000000 103 97.900002 1350.500000 1 98.280000 13505.000000 4 99.162500 21608.000000 6 101.000000 1350.500000 1 102.500000 1350.500000 1 103.124999 10804.000000 3 103.775002 5402.000000 2 105.063782 421356.000000 122 107.046109 937247.000000 271 109.070328 1647610.000000 477 110.040001 13505.000000 4 110.500000 6752.500000 2 111.084849 89133.000000 26 111.900002 1350.500000 1 112.400002 1350.500000 1 113.000000 6752.500000 2 113.500000 1350.500000 1 114.966667 8103.000000 2 115.900002 4051.500000 1 116.099998 2701.000000 1 117.100001 91834.000000 27 117.699997 5402.000000 2 118.000000 4051.500000 1 118.275002 10804.000000 3 119.095935 332223.000000 96 121.112619 567210.000000 164 123.055308 1882597.000000 545 124.199997 1350.500000 1 124.699997 1350.500000 1 124.989474 25659.500000 7 125.360002 6752.500000 2 125.800003 1350.500000 1 126.800003 4051.500000 1 127.049999 2701.000000 1 127.300003 1350.500000 1 127.500000 1350.500000 1 127.850002 5402.000000 2 128.300003 4051.500000 1 129.032000 33762.500000 10 130.100006 9453.500000 3 131.142678 212028.500000 61 131.899994 12154.500000 4 133.097092 371387.500000 108 133.959999 13505.000000 4 135.112403 348429.000000 101 136.100006 6752.500000 2 137.259998 94535.000000 27 138.150002 2701.000000 1 138.899994 4051.500000 1 139.228572 9453.500000 3 139.600006 1350.500000 1 140.699997 1350.500000 1 141.000000 4051.500000 1 141.199997 4051.500000 1 143.122859 94535.000000 27 143.899994 16206.000000 5 144.100006 10804.000000 3 145.084704 706311.500000 205 146.000000 14855.500000 4 147.118577 683353.000000 198 148.100006 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