ACCESSION: MSBNK-PFOS_research_group-FFF00220
RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:50 V; [M-2H2O+H]+
DATE: 2016.01.19 (Created 2011.04.05, modified 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$FOCUSED_ION: BASE_PEAK 91.000000
MS$FOCUSED_ION: PRECURSOR_M/Z 255.200000
MS$FOCUSED_ION: PRECURSOR_TYPE [M-2H2O+H]+
PK$SPLASH: splash10-05po-7900000000-7133c00e0b0e264687ec
PK$NUM_PEAK: 229
PK$PEAK: m/z int. rel.int.
37.599998 1350.500000 1
39.049999 8103.000000 2
40.099998 1350.500000 1
41.100000 89133.000000 22
41.700001 4051.500000 1
41.950001 2701.000000 1
43.247368 51319.000000 13
44.400002 1350.500000 1
44.700001 1350.500000 1
45.099998 2701.000000 1
50.500000 1350.500000 1
50.799999 2701.000000 1
51.099998 1350.500000 1
51.299999 1350.500000 1
51.500000 1350.500000 1
52.000000 1350.500000 1
53.000000 20257.500000 5
53.300000 17556.500000 4
55.085660 715765.000000 180
56.539999 6752.500000 2
57.000000 32412.000000 8
57.599998 2701.000000 1
58.750000 2701.000000 1
59.250000 5402.000000 1
60.200001 1350.500000 1
62.000000 1350.500000 1
63.700001 1350.500000 1
64.400002 8103.000000 2
65.166664 40515.000000 10
67.130462 1693527.000000 427
69.094048 340326.000000 86
70.099998 1350.500000 1
70.900002 1350.500000 1
71.199999 8103.000000 2
73.199997 1350.500000 1
73.500000 2701.000000 1
73.800003 1350.500000 1
74.300003 1350.500000 1
74.599998 1350.500000 1
75.450001 5402.000000 1
77.058298 634735.000000 160
79.061017 2390385.000000 602
81.107718 2414694.000000 609
82.071427 9453.500000 2
83.130357 75628.000000 19
84.500000 1350.500000 1
86.400002 1350.500000 1
86.649998 2701.000000 1
86.900002 2701.000000 1
87.300003 1350.500000 1
88.350002 2701.000000 1
88.750000 5402.000000 1
91.065075 3310075.500000 834
93.102414 2125687.000000 536
95.077757 1457189.500000 367
96.049999 5402.000000 1
96.400002 1350.500000 1
96.750000 2701.000000 1
97.049999 13505.000000 3
97.500000 1350.500000 1
101.000000 1350.500000 1
101.549999 2701.000000 1
101.900002 1350.500000 1
103.065068 197173.000000 50
105.063544 3963717.500000 999
107.034223 556406.000000 140
107.825003 5402.000000 1
108.099998 9453.500000 2
109.130729 259296.000000 65
112.699997 2701.000000 1
113.099998 5402.000000 1
113.839999 13505.000000 3
115.036272 398397.500000 100
117.106632 1058792.000000 267
119.082913 1233006.500000 311
120.099998 6752.500000 2
121.101639 164761.000000 42
121.850002 2701.000000 1
123.229999 13505.000000 3
124.500000 2701.000000 1
125.199999 4051.500000 1
125.649998 2701.000000 1
125.925001 5402.000000 1
126.400002 9453.500000 2
127.000000 54020.000000 14
128.104320 813001.000000 205
129.105389 1303232.500000 328
130.200667 405150.000000 102
131.150203 1328892.000000 335
133.154484 391645.000000 99
134.000000 4051.500000 1
134.300003 4051.500000 1
134.699997 6752.500000 2
135.089999 54020.000000 14
136.199997 1350.500000 1
138.050003 2701.000000 1
138.699997 9453.500000 2
138.963634 29711.000000 7
139.300003 14855.500000 4
139.674999 5402.000000 1
139.899994 2701.000000 1
141.172223 243090.000000 61
142.116829 553705.000000 140
143.087985 1079049.500000 272
144.148849 293058.500000 74
145.111372 973710.500000 245
147.142857 302512.000000 76
148.100006 1350.500000 1
148.300003 2701.000000 1
148.699997 1350.500000 1
149.100006 6752.500000 2
149.600006 1350.500000 1
149.800003 1350.500000 1
150.000000 1350.500000 1
150.600006 1350.500000 1
150.800003 2701.000000 1
151.250000 5402.000000 1
151.500000 1350.500000 1
152.127781 24309.000000 6
153.205882 45917.000000 12
154.023078 35113.000000 9
155.074856 236337.500000 60
156.105161 209327.500000 53
157.171714 677951.000000 171
159.132726 445665.000000 112
161.146379 93184.500000 23
162.800003 1350.500000 1
163.199997 5402.000000 1
163.899994 1350.500000 1
164.300003 1350.500000 1
164.899994 13505.000000 3
165.260001 27010.000000 7
166.200005 10804.000000 3
167.206452 41865.500000 11
168.006250 21608.000000 5
169.080108 251193.000000 63
171.063335 324120.000000 82
172.070590 45917.000000 12
173.148215 151256.000000 38
174.449997 5402.000000 1
175.211110 24309.000000 6
175.600006 1350.500000 1
175.899994 1350.500000 1
176.100006 1350.500000 1
176.399994 1350.500000 1
177.500000 1350.500000 1
177.959998 6752.500000 2
178.899994 10804.000000 3
179.110005 13505.000000 3
180.066668 8103.000000 2
180.600006 2701.000000 1
181.131248 43216.000000 11
182.357141 18907.000000 5
183.231481 145854.000000 37
185.202798 337625.000000 85
186.018183 14855.500000 4
186.338462 17556.500000 4
187.245832 64824.000000 16
188.100006 1350.500000 1
189.349998 5402.000000 1
189.600006 1350.500000 1
190.000000 4051.500000 1
191.899994 1350.500000 1
192.199997 2701.000000 1
192.500000 1350.500000 1
192.699997 1350.500000 1
192.899994 2701.000000 1
193.199997 6752.500000 2
193.600006 1350.500000 1
194.000000 2701.000000 1
194.199997 6752.500000 2
194.699997 6752.500000 2
195.100006 10804.000000 3
195.800003 9453.500000 2
196.299995 10804.000000 3
197.195239 113442.000000 29
198.220001 47267.500000 12
198.699997 17556.500000 4
199.229631 218781.000000 55
200.126315 51319.000000 13
201.049997 16206.000000 4
204.800003 1350.500000 1
205.500000 1350.500000 1
205.899994 2701.000000 1
206.899994 1350.500000 1
207.300003 4051.500000 1
207.500000 1350.500000 1
208.000000 1350.500000 1
208.199997 2701.000000 1
208.500000 1350.500000 1
208.699997 1350.500000 1
209.199997 4051.500000 1
209.399994 1350.500000 1
209.899994 1350.500000 1
211.000000 17556.500000 4
211.299998 64824.000000 16
212.199997 9453.500000 2
213.208064 83731.000000 21
214.199997 1350.500000 1
214.399994 5402.000000 1
215.100006 1350.500000 1
218.899994 1350.500000 1
221.000000 1350.500000 1
221.500000 1350.500000 1
222.699997 2701.000000 1
222.899994 4051.500000 1
223.399994 2701.000000 1
224.016668 8103.000000 2
226.137501 432160.000000 109
227.318180 59422.000000 15
228.050003 2701.000000 1
237.000000 1350.500000 1
237.199997 2701.000000 1
237.699997 1350.500000 1
238.000000 1350.500000 1
238.600006 1350.500000 1
239.033335 8103.000000 2
239.500000 1350.500000 1
240.223530 22958.500000 6
240.600006 5402.000000 1
241.100006 1350.500000 1
251.600006 1350.500000 1
252.100006 1350.500000 1
252.600006 1350.500000 1
253.100006 4051.500000 1
254.199997 4051.500000 1
254.699997 9453.500000 2
255.313334 81030.000000 20
256.100006 1350.500000 1
//
