ACCESSION: MSBNK-PFOS_research_group-FFF00214
RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+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 0.820833 min
MS$FOCUSED_ION: BASE_PEAK 81.099998
MS$FOCUSED_ION: PRECURSOR_M/Z 273.200000
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-0a5c-9810000000-e84d072b628ffe043184
PK$NUM_PEAK: 271
PK$PEAK: m/z int. rel.int.
39.400002 2701.000000 1
39.900002 1350.500000 1
40.099998 2701.000000 1
40.966667 20257.500000 9
41.228572 18907.000000 9
43.086047 116143.000000 54
43.950001 2701.000000 1
44.850000 5402.000000 2
45.275000 5402.000000 2
50.799999 1350.500000 1
52.400002 2701.000000 1
53.000000 9453.500000 4
53.270000 13505.000000 6
53.574999 5402.000000 2
53.900002 4051.500000 2
55.098300 476726.500000 220
56.299999 4051.500000 2
57.050000 67525.000000 31
58.000000 1350.500000 1
59.000000 2701.000000 1
59.400002 2701.000000 1
65.122222 36463.500000 17
65.562499 10804.000000 5
65.800003 9453.500000 4
67.130929 1104709.000000 510
69.110089 455118.500000 210
69.875002 5402.000000 2
70.566666 8103.000000 4
71.143476 31061.500000 14
71.800003 1350.500000 1
72.199997 1350.500000 1
73.099998 1350.500000 1
75.150002 5402.000000 2
75.699997 5402.000000 2
75.900002 4051.500000 2
77.076712 394346.000000 182
79.047578 1561178.000000 721
81.124859 2162150.500000 999
83.052688 251193.000000 116
84.099998 1350.500000 1
84.400002 2701.000000 1
84.800003 4051.500000 2
85.250000 5402.000000 2
87.699997 1350.500000 1
88.000000 1350.500000 1
88.300003 1350.500000 1
88.900000 6752.500000 3
89.512500 10804.000000 5
89.900002 14855.500000 7
91.093396 1717836.000000 794
93.103125 1728640.000000 799
95.070781 1488251.000000 688
97.054924 356532.000000 165
97.900002 4051.500000 2
98.099998 4051.500000 2
98.300003 1350.500000 1
98.500000 2701.000000 1
98.900002 2701.000000 1
99.199999 4051.500000 2
100.000000 1350.500000 1
101.099998 2701.000000 1
101.400002 1350.500000 1
101.750000 5402.000000 2
102.350002 8103.000000 4
103.095453 59422.000000 27
105.062536 1874494.000000 866
107.066139 1108760.500000 512
109.095594 1103358.500000 510
110.099998 5402.000000 2
111.067999 33762.500000 16
113.000000 1350.500000 1
113.199997 1350.500000 1
113.500000 2701.000000 1
113.900002 1350.500000 1
114.149998 2701.000000 1
115.170730 55370.500000 26
116.063636 29711.000000 14
117.067987 442964.000000 205
119.089937 858918.000000 397
120.099998 12154.500000 6
121.139754 329522.000000 152
121.800003 12154.500000 6
123.060369 950752.000000 439
124.300003 2701.000000 1
125.099998 4051.500000 2
125.500000 1350.500000 1
125.800003 1350.500000 1
126.000000 1350.500000 1
126.199997 2701.000000 1
127.000000 10804.000000 5
127.366669 16206.000000 7
129.076238 272801.000000 126
131.166170 542901.000000 251
133.179897 261997.000000 121
133.800003 1350.500000 1
134.000000 5402.000000 2
135.152380 56721.000000 26
136.100006 1350.500000 1
136.300003 1350.500000 1
136.500000 1350.500000 1
137.187498 10804.000000 5
138.899994 2701.000000 1
140.050003 2701.000000 1
140.500000 5402.000000 2
140.699997 6752.500000 3
141.176190 56721.000000 26
141.699997 16206.000000 7
142.137778 121545.000000 56
143.158475 318718.000000 147
145.131161 372738.000000 172
145.849998 8103.000000 4
147.155921 205276.000000 95
147.800003 4051.500000 2
148.000000 8103.000000 4
148.399994 5402.000000 2
149.168518 72927.000000 34
149.750000 2701.000000 1
150.100006 1350.500000 1
150.500000 2701.000000 1
151.100001 4051.500000 2
152.075005 10804.000000 5
152.300003 4051.500000 2
152.500000 4051.500000 2
153.060001 6752.500000 3
153.399994 1350.500000 1
153.800003 2701.000000 1
154.000000 4051.500000 2
154.333328 8103.000000 4
154.800003 10804.000000 5
155.252633 25659.500000 12
155.600006 6752.500000 3
157.121951 221482.000000 102
159.115386 280904.000000 130
161.133627 152606.500000 71
161.899994 2701.000000 1
162.300003 2701.000000 1
162.600006 4051.500000 2
163.200000 43216.000000 20
164.250000 2701.000000 1
165.199997 10804.000000 5
165.600006 1350.500000 1
165.899994 1350.500000 1
166.899994 5402.000000 2
167.399994 2701.000000 1
167.899994 2701.000000 1
168.500000 4051.500000 2
169.058337 32412.000000 15
171.062500 108040.000000 50
172.199997 10804.000000 5
172.399994 13505.000000 6
173.000000 31061.500000 14
173.199997 44566.500000 21
174.000000 2701.000000 1
174.300003 1350.500000 1
174.600006 2701.000000 1
175.416662 8103.000000 4
176.100001 4051.500000 2
176.399994 1350.500000 1
176.899994 6752.500000 3
177.399994 4051.500000 2
177.699997 2701.000000 1
178.100000 9453.500000 4
178.600006 1350.500000 1
179.000000 4051.500000 2
179.199997 2701.000000 1
180.000000 2701.000000 1
180.199997 2701.000000 1
181.100006 2701.000000 1
181.399994 2701.000000 1
181.799998 4051.500000 2
182.800003 12154.500000 6
183.000000 13505.000000 6
183.783335 8103.000000 4
184.200003 25659.500000 12
185.187879 89133.000000 41
186.133334 16206.000000 7
187.207140 18907.000000 9
187.939996 13505.000000 6
189.123405 126947.000000 59
189.800003 1350.500000 1
190.250000 10804.000000 5
190.899994 5402.000000 2
191.199997 5402.000000 2
191.399994 1350.500000 1
191.600006 1350.500000 1
192.199997 1350.500000 1
193.899994 1350.500000 1
194.800003 2701.000000 1
195.150002 2701.000000 1
195.399994 1350.500000 1
195.699997 1350.500000 1
196.199997 2701.000000 1
196.600006 1350.500000 1
197.162502 21608.000000 10
198.166665 16206.000000 7
199.290243 110741.000000 51
199.800003 6752.500000 3
200.000000 9453.500000 4
200.440002 27010.000000 12
202.140192 282254.500000 130
203.299999 10804.000000 5
204.600006 1350.500000 1
205.199997 1350.500000 1
209.150002 2701.000000 1
210.100006 2701.000000 1
210.449997 2701.000000 1
210.899994 1350.500000 1
211.100006 6752.500000 3
211.500000 6752.500000 3
212.199997 4051.500000 2
213.020001 27010.000000 12
213.399996 18907.000000 9
213.914287 18907.000000 9
215.153208 357882.500000 165
216.018181 29711.000000 14
217.067743 41865.500000 19
217.849998 2701.000000 1
218.200005 5402.000000 2
218.800003 1350.500000 1
219.349998 2701.000000 1
223.000000 2701.000000 1
223.399994 1350.500000 1
223.899994 2701.000000 1
224.300003 1350.500000 1
225.081250 21608.000000 10
226.155103 66174.500000 31
227.238461 35113.000000 16
228.199997 16206.000000 7
228.487499 10804.000000 5
229.203572 75628.000000 35
230.025002 32412.000000 15
230.600006 2701.000000 1
231.000000 2701.000000 1
232.349998 2701.000000 1
237.699997 1350.500000 1
238.000000 1350.500000 1
238.199997 4051.500000 2
239.175862 39164.500000 18
239.800003 1350.500000 1
240.259998 13505.000000 6
241.257143 18907.000000 9
242.399994 6752.500000 3
243.085713 18907.000000 9
243.500000 6752.500000 3
244.000000 13505.000000 6
244.325001 10804.000000 5
244.600006 4051.500000 2
245.257141 18907.000000 9
245.800003 1350.500000 1
246.600006 1350.500000 1
251.600006 1350.500000 1
252.699997 1350.500000 1
253.300003 1350.500000 1
253.600006 4051.500000 2
254.000000 2701.000000 1
255.150002 29711.000000 14
255.600006 13505.000000 6
256.200012 2701.000000 1
256.849991 8103.000000 4
257.200012 5402.000000 2
257.500000 4051.500000 2
257.725006 5402.000000 2
258.216675 16206.000000 7
258.799988 1350.500000 1
270.799988 1350.500000 1
271.000000 5402.000000 2
271.500000 2701.000000 1
271.799988 1350.500000 1
272.299988 5402.000000 2
273.399994 20257.500000 9
273.799988 2701.000000 1
//