ACCESSION: MSBNK-PFOS_research_group-FFF00208
RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:50 V; [M+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$FOCUSED_ION: BASE_PEAK 79.199997
MS$FOCUSED_ION: PRECURSOR_M/Z 291.300000
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-053u-6940000000-ec0c160114d0656b5f4e
PK$NUM_PEAK: 368
PK$PEAK: m/z int. rel.int.
40.500000 1350.500000 10
40.799999 1350.500000 10
41.099998 2701.000000 20
41.400000 4051.500000 30
41.900002 1350.500000 10
42.099998 2701.000000 20
42.350000 2701.000000 20
42.799999 10804.000000 80
43.191666 32412.000000 240
45.099998 1350.500000 10
45.299999 1350.500000 10
51.200001 1350.500000 10
51.799999 1350.500000 10
52.900002 1350.500000 10
53.299999 1350.500000 10
54.400002 2701.000000 20
54.700001 9453.500000 70
55.200001 17556.500000 130
55.700001 2701.000000 20
56.299999 1350.500000 10
56.700001 1350.500000 10
57.028571 9453.500000 70
57.400002 1350.500000 10
59.450001 2701.000000 20
60.299999 1350.500000 10
64.000000 1350.500000 10
64.699997 1350.500000 10
65.199997 2701.000000 20
65.800003 1350.500000 10
66.199997 4051.500000 30
66.699997 6752.500000 50
67.177273 59422.000000 440
68.149998 2701.000000 20
68.500000 2701.000000 20
69.014285 18907.000000 140
69.950001 2701.000000 20
70.350002 2701.000000 20
71.071427 18907.000000 140
71.699997 1350.500000 10
75.900002 2701.000000 20
76.300003 1350.500000 10
76.800003 4051.500000 30
77.012500 10804.000000 80
77.599998 1350.500000 10
77.900002 1350.500000 10
79.066667 89133.000000 659
79.900002 2701.000000 20
80.099998 2701.000000 20
81.156000 135050.000000 999
82.149998 8103.000000 60
82.400002 4051.500000 30
82.599998 5402.000000 40
82.975000 5402.000000 40
83.250000 8103.000000 60
84.400002 2701.000000 20
84.599998 1350.500000 10
85.300001 8103.000000 60
85.900002 1350.500000 10
89.250000 2701.000000 20
89.699997 1350.500000 10
91.062162 99937.000000 739
91.800003 4051.500000 30
92.199997 5402.000000 40
92.400002 6752.500000 50
93.101817 74277.500000 549
94.599998 8103.000000 60
95.054166 64824.000000 480
95.800003 2701.000000 20
96.099998 4051.500000 30
96.400002 1350.500000 10
96.800003 4051.500000 30
97.300003 10804.000000 80
97.800003 1350.500000 10
98.400002 1350.500000 10
99.099998 2701.000000 20
99.500000 1350.500000 10
101.000000 2701.000000 20
101.199997 1350.500000 10
101.400002 1350.500000 10
102.199997 1350.500000 10
102.400002 2701.000000 20
102.900002 1350.500000 10
103.099998 2701.000000 20
103.500000 1350.500000 10
103.950001 2701.000000 20
105.036508 85081.500000 629
105.699997 4051.500000 30
106.240001 6752.500000 50
106.884212 51319.000000 380
107.277779 36463.500000 270
107.900002 1350.500000 10
108.099998 1350.500000 10
108.400002 1350.500000 10
108.800003 6752.500000 50
109.400002 4051.500000 30
109.800003 1350.500000 10
110.099998 1350.500000 10
110.400002 5402.000000 40
111.124998 5402.000000 40
111.800003 1350.500000 10
112.900002 1350.500000 10
114.099998 1350.500000 10
114.400002 1350.500000 10
114.900002 6752.500000 50
115.500000 1350.500000 10
115.800003 1350.500000 10
116.099998 1350.500000 10
116.400002 2701.000000 20
117.053845 17556.500000 130
118.000000 1350.500000 10
118.199997 2701.000000 20
118.924001 33762.500000 250
119.300003 18907.000000 140
120.049999 2701.000000 20
120.400002 1350.500000 10
121.100002 27010.000000 200
123.039999 6752.500000 50
123.500000 2701.000000 20
124.800003 1350.500000 10
125.199997 2701.000000 20
126.400002 1350.500000 10
126.900002 2701.000000 20
127.250000 2701.000000 20
128.283335 8103.000000 60
128.916664 16206.000000 120
130.025002 5402.000000 40
130.300003 4051.500000 30
130.550003 2701.000000 20
131.181818 44566.500000 330
132.100006 4051.500000 30
132.300003 6752.500000 50
133.066671 24309.000000 180
133.335714 18907.000000 140
134.000000 2701.000000 20
134.399994 1350.500000 10
134.800003 8103.000000 60
135.300003 5402.000000 40
136.000000 1350.500000 10
139.000000 1350.500000 10
139.199997 1350.500000 10
140.100001 4051.500000 30
140.899994 1350.500000 10
141.399994 2701.000000 20
141.699997 1350.500000 10
142.049995 5402.000000 40
142.399994 4051.500000 30
142.937496 10804.000000 80
143.199997 4051.500000 30
143.399994 5402.000000 40
143.699997 2701.000000 20
144.199997 5402.000000 40
144.600006 4051.500000 30
145.021054 25659.500000 190
145.300003 17556.500000 130
145.800003 2701.000000 20
146.199997 2701.000000 20
146.399994 2701.000000 20
146.600006 1350.500000 10
147.166665 12154.500000 90
148.899994 2701.000000 20
149.500000 1350.500000 10
149.699997 1350.500000 10
150.500000 1350.500000 10
150.699997 1350.500000 10
150.899994 2701.000000 20
151.150002 2701.000000 20
151.600006 2701.000000 20
152.199997 2701.000000 20
152.399994 1350.500000 10
152.699997 1350.500000 10
152.899994 1350.500000 10
153.199997 2701.000000 20
153.399994 2701.000000 20
153.699997 1350.500000 10
154.300003 1350.500000 10
155.050003 2701.000000 20
155.300003 2701.000000 20
156.000000 1350.500000 10
156.399994 2701.000000 20
156.600006 1350.500000 10
157.025002 5402.000000 40
157.300003 6752.500000 50
157.849998 5402.000000 40
158.200002 8103.000000 60
158.800003 9453.500000 70
159.200002 36463.500000 270
160.100006 2701.000000 20
161.199997 8103.000000 60
161.600006 1350.500000 10
162.500000 1350.500000 10
162.699997 4051.500000 30
162.949997 8103.000000 60
163.399994 2701.000000 20
163.699997 2701.000000 20
164.100006 2701.000000 20
165.133336 8103.000000 60
165.600006 4051.500000 30
166.199997 2701.000000 20
167.250000 2701.000000 20
167.699997 1350.500000 10
168.000000 1350.500000 10
168.199997 1350.500000 10
168.699997 1350.500000 10
168.899994 1350.500000 10
169.199997 2701.000000 20
169.399994 1350.500000 10
169.600006 2701.000000 20
169.899994 1350.500000 10
170.100006 1350.500000 10
170.550003 2701.000000 20
171.199997 9453.500000 70
171.699997 1350.500000 10
171.899994 2701.000000 20
173.259998 13505.000000 100
173.800003 1350.500000 10
174.899994 5402.000000 40
175.233332 8103.000000 60
175.699997 1350.500000 10
176.125000 10804.000000 80
176.399994 4051.500000 30
177.199997 5402.000000 40
177.699997 1350.500000 10
177.899994 9453.500000 70
178.125004 10804.000000 80
178.500000 5402.000000 40
179.170000 13505.000000 100
181.500000 2701.000000 20
183.000000 1350.500000 10
183.500000 1350.500000 10
184.000000 1350.500000 10
184.300003 1350.500000 10
185.160001 13505.000000 100
185.500000 1350.500000 10
186.100006 2701.000000 20
186.399994 2701.000000 20
186.899994 2701.000000 20
187.300003 1350.500000 10
187.600006 1350.500000 10
188.300003 2701.000000 20
188.908332 32412.000000 240
189.387495 10804.000000 80
189.600006 4051.500000 30
189.899994 1350.500000 10
190.125004 5402.000000 40
190.399994 4051.500000 30
190.600006 6752.500000 50
191.028570 18907.000000 140
192.174998 27010.000000 200
192.600006 1350.500000 10
193.100006 2701.000000 20
193.300003 4051.500000 30
194.100006 2701.000000 20
194.399994 2701.000000 20
194.899994 1350.500000 10
197.000000 1350.500000 10
197.199997 1350.500000 10
197.399994 1350.500000 10
198.699997 2701.000000 20
198.899994 1350.500000 10
199.125004 5402.000000 40
199.800003 2701.000000 20
200.100006 2701.000000 20
200.399994 1350.500000 10
200.600006 1350.500000 10
200.899994 2701.000000 20
201.100006 1350.500000 10
202.136842 51319.000000 380
202.899994 12154.500000 90
203.300003 13505.000000 100
203.800003 4051.500000 30
204.139999 6752.500000 50
204.399994 2701.000000 20
205.012501 10804.000000 80
205.374996 10804.000000 80
205.800003 2701.000000 20
206.250000 5402.000000 40
207.139999 6752.500000 50
207.399994 1350.500000 10
208.199997 1350.500000 10
208.399994 1350.500000 10
209.199997 1350.500000 10
210.800003 1350.500000 10
211.100006 1350.500000 10
211.300003 1350.500000 10
212.000000 1350.500000 10
212.500000 1350.500000 10
212.800003 2701.000000 20
213.050003 2701.000000 20
213.449997 5402.000000 40
214.100006 2701.000000 20
214.300003 4051.500000 30
215.030000 27010.000000 200
215.849998 8103.000000 60
216.199997 12154.500000 90
216.899994 4051.500000 30
217.199997 9453.500000 70
217.699997 2701.000000 20
218.083338 8103.000000 60
218.500000 1350.500000 10
219.077779 24309.000000 180
220.071433 18907.000000 140
220.750000 2701.000000 20
221.100006 1350.500000 10
221.300003 2701.000000 20
222.100006 1350.500000 10
223.100006 1350.500000 10
225.500000 1350.500000 10
226.000000 2701.000000 20
226.399994 1350.500000 10
227.150002 2701.000000 20
228.000000 2701.000000 20
229.066666 8103.000000 60
229.899994 2701.000000 20
230.233337 8103.000000 60
231.100006 13505.000000 100
231.600006 1350.500000 10
232.000000 5402.000000 40
233.075003 21608.000000 160
234.199997 1350.500000 10
234.399994 4051.500000 30
234.699997 1350.500000 10
235.199997 4051.500000 30
235.500000 1350.500000 10
236.100006 1350.500000 10
237.399994 1350.500000 10
239.899994 2701.000000 20
240.100006 2701.000000 20
240.899994 1350.500000 10
241.300003 4051.500000 30
242.300003 1350.500000 10
242.800003 1350.500000 10
243.000000 2701.000000 20
243.199997 1350.500000 10
243.399994 2701.000000 20
243.750000 2701.000000 20
244.325001 10804.000000 80
245.060001 6752.500000 50
246.000000 1350.500000 10
246.199997 1350.500000 10
247.133336 8103.000000 60
247.525002 5402.000000 40
248.399994 9453.500000 70
248.600006 1350.500000 10
249.449997 2701.000000 20
250.300003 1350.500000 10
255.100006 1350.500000 10
255.300003 1350.500000 10
257.100006 1350.500000 10
258.200012 1350.500000 10
258.700012 1350.500000 10
259.200012 2701.000000 20
261.100006 9453.500000 70
261.500000 12154.500000 90
262.299988 1350.500000 10
263.100006 1350.500000 10
263.349991 5402.000000 40
273.200012 1350.500000 10
273.449997 2701.000000 20
274.500000 1350.500000 10
274.799988 1350.500000 10
275.100006 2701.000000 20
276.000000 1350.500000 10
276.399994 2701.000000 20
276.799988 1350.500000 10
288.899994 1350.500000 10
289.399994 1350.500000 10
291.200012 1350.500000 10
291.399994 1350.500000 10
//