ACCESSION: MSBNK-PFOS_research_group-FFF00108
RECORD_TITLE: Testosterone; LC-APPI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (Created 2011.03.01, 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$NAME: Testosterone
CH$COMPOUND_CLASS: Natural Product; Steroid hormone
CH$FORMULA: C19H28O2
CH$EXACT_MASS: 288.20893
CH$SMILES: O=C(C4)C=C(C3)C(C)(C4)C(C2)C(C3)C(C1)C(C)(C2)C(O)C1
CH$IUPAC: InChI=1S/C19H28O2/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/h11,14-17,21H,3-10H2,1-2H3/t14?,15?,16?,17-,18?,19?/m0/s1
CH$LINK: CAS
58-22-0
CH$LINK: LIPIDBANK
SST0020
CH$LINK: INCHIKEY
MUMGGOZAMZWBJJ-YDJBNQETSA-N
AC$INSTRUMENT: API2000
AC$INSTRUMENT_TYPE: LC-APPI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min
MS$FOCUSED_ION: BASE_PEAK 289.299988
MS$FOCUSED_ION: PRECURSOR_M/Z 289.300000
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-1190000000-5862def05567499d3c65
PK$NUM_PEAK: 267
PK$PEAK: m/z int. rel.int.
38.599998 1350.500000 1
39.200001 1350.500000 1
40.900000 6752.500000 1
41.500000 1350.500000 1
42.299999 1350.500000 1
42.700001 2701.000000 1
43.250000 5402.000000 1
44.799999 1350.500000 1
45.000000 1350.500000 1
52.099998 1350.500000 1
52.799999 4051.500000 1
53.250000 2701.000000 1
54.200001 1350.500000 1
54.500000 4051.500000 1
54.900002 8103.000000 1
55.099998 10804.000000 1
56.549999 2701.000000 1
56.799999 2701.000000 1
57.300001 8103.000000 1
64.800001 4051.500000 1
65.400002 1350.500000 1
66.199997 1350.500000 1
67.055555 24309.000000 1
67.300003 10804.000000 1
68.500000 2701.000000 1
69.077143 47267.500000 1
70.500000 2701.000000 1
70.699997 2701.000000 1
71.099998 2701.000000 1
71.450001 2701.000000 1
72.199997 2701.000000 1
72.500000 1350.500000 1
72.900002 5402.000000 1
73.325001 10804.000000 1
76.099998 2701.000000 1
76.400002 2701.000000 1
76.800003 5402.000000 1
77.099998 5402.000000 1
77.400002 1350.500000 1
78.000000 1350.500000 1
79.004762 113442.000000 1
79.599998 4051.500000 1
80.000000 2701.000000 1
81.099333 405150.000000 2
83.058236 1164131.000000 6
84.775000 32412.000000 1
89.900002 1350.500000 1
90.300003 4051.500000 1
90.991304 62123.000000 1
91.599998 1350.500000 1
91.850002 5402.000000 1
93.082222 303862.500000 2
95.067902 875124.000000 5
97.059816 32572709.500000 176
99.244444 24309.000000 1
99.800003 1350.500000 1
100.750000 2701.000000 1
102.000000 1350.500000 1
102.900002 4051.500000 1
103.300001 4051.500000 1
103.699997 4051.500000 1
103.900002 4051.500000 1
104.979592 198523.500000 1
107.087607 632034.000000 3
109.043644 21691731.000000 117
111.006896 78329.000000 1
112.199997 1350.500000 1
113.000000 10804.000000 1
113.599998 1350.500000 1
114.699997 1350.500000 1
115.400002 4051.500000 1
116.149998 2701.000000 1
116.500000 1350.500000 1
117.123528 22958.500000 1
118.000000 4051.500000 1
118.972882 159359.000000 1
121.066530 984514.500000 5
123.031367 1808319.500000 10
125.073076 35113.000000 1
126.800003 1350.500000 1
127.000000 2701.000000 1
127.500000 1350.500000 1
127.900002 2701.000000 1
128.250000 2701.000000 1
128.800003 13505.000000 1
129.050003 18907.000000 1
129.300003 13505.000000 1
130.000000 4051.500000 1
131.095322 230935.500000 1
131.800003 1350.500000 1
133.167205 251193.000000 1
135.038756 564509.000000 3
137.021540 87782.500000 1
138.100006 1350.500000 1
139.000000 20257.500000 1
139.199997 17556.500000 1
139.699997 5402.000000 1
140.399994 1350.500000 1
141.000000 5402.000000 1
141.199997 5402.000000 1
141.600006 1350.500000 1
142.000000 4051.500000 1
142.290002 13505.000000 1
143.075759 178266.000000 1
145.052249 780589.000000 4
146.000000 8103.000000 1
147.105714 850815.000000 5
149.045583 474025.500000 3
150.756250 21608.000000 1
151.127781 48618.000000 1
151.800003 12154.500000 1
152.150002 5402.000000 1
152.899994 12154.500000 1
153.275002 5402.000000 1
153.500000 2701.000000 1
153.899994 1350.500000 1
154.199997 2701.000000 1
154.500000 1350.500000 1
154.924490 66174.500000 1
157.130622 564509.000000 3
159.081520 906185.500000 5
159.699997 6752.500000 1
160.199997 8103.000000 1
161.116443 804898.000000 4
162.244446 12154.500000 1
163.083694 811650.500000 4
164.300003 4051.500000 1
165.060004 27010.000000 1
165.600006 4051.500000 1
167.000000 4051.500000 1
167.399999 4051.500000 1
167.849998 5402.000000 1
168.838093 56721.000000 1
169.100006 25659.500000 1
171.058922 802197.000000 4
171.800003 5402.000000 1
172.100006 6752.500000 1
172.500000 29711.000000 1
173.129539 557756.500000 3
174.300003 22958.500000 1
175.122866 1724588.500000 9
177.199770 586117.000000 3
178.100006 4051.500000 1
178.399994 1350.500000 1
179.077783 24309.000000 1
180.100006 1350.500000 1
180.300003 1350.500000 1
181.000000 6752.500000 1
181.300003 9453.500000 1
181.800003 1350.500000 1
183.092029 372738.000000 2
184.266668 8103.000000 1
185.193901 332223.000000 2
185.841666 16206.000000 1
187.161216 1288377.000000 7
187.924995 10804.000000 1
189.168817 2009544.000000 11
191.079592 132349.000000 1
191.800003 1350.500000 1
193.000000 28360.500000 1
195.000000 1350.500000 1
195.199997 4051.500000 1
195.500000 5402.000000 1
196.025002 5402.000000 1
196.424999 10804.000000 1
197.147204 869722.000000 5
198.100006 5402.000000 1
199.166242 848114.000000 5
201.159603 815702.000000 4
202.000000 9453.500000 1
202.199997 4051.500000 1
203.155173 156658.000000 1
204.100006 4051.500000 1
205.142855 113442.000000 1
206.399994 1350.500000 1
207.300003 21608.000000 1
208.899994 2701.000000 1
209.599998 5402.000000 1
210.199997 2701.000000 1
211.089809 424057.000000 2
213.192743 1526065.000000 8
214.474998 10804.000000 1
215.150810 499685.000000 3
216.000000 2701.000000 1
216.399994 4051.500000 1
217.147058 321419.000000 2
218.116671 8103.000000 1
219.199441 483479.000000 3
220.399994 1350.500000 1
221.300003 2701.000000 1
222.800003 1350.500000 1
223.000000 1350.500000 1
223.199997 2701.000000 1
224.028573 9453.500000 1
225.206849 394346.000000 2
226.300003 2701.000000 1
227.223418 426758.000000 2
228.000000 4051.500000 1
228.399994 2701.000000 1
229.220329 491582.000000 3
230.040002 6752.500000 1
230.349998 8103.000000 1
231.213207 143153.000000 1
232.299998 4051.500000 1
233.109523 28360.500000 1
234.800003 1350.500000 1
235.000000 1350.500000 1
237.500000 1350.500000 1
238.123530 22958.500000 1
238.899994 4051.500000 1
239.300003 4051.500000 1
239.600006 1350.500000 1
241.066668 8103.000000 1
241.650002 2701.000000 1
242.500000 6752.500000 1
243.310776 401098.500000 2
244.200002 4051.500000 1
245.240335 160709.500000 1
245.962498 21608.000000 1
246.199997 6752.500000 1
246.424995 16206.000000 1
247.250000 10804.000000 1
247.600006 1350.500000 1
248.199997 1350.500000 1
249.000000 1350.500000 1
251.100006 10804.000000 1
251.373333 20257.500000 1
253.244968 8132711.000000 44
254.100006 9453.500000 1
254.600006 2701.000000 1
255.399994 1350.500000 1
256.140009 6752.500000 1
257.156777 159359.000000 1
257.899994 2701.000000 1
258.200012 2701.000000 1
258.500000 2701.000000 1
259.100006 6752.500000 1
259.324989 5402.000000 1
259.600006 4051.500000 1
259.974998 5402.000000 1
260.399994 2701.000000 1
260.600006 4051.500000 1
261.173229 171513.500000 1
268.299988 1350.500000 1
268.799988 2701.000000 1
269.324997 10804.000000 1
271.240755 9304945.000000 50
272.500000 2701.000000 1
273.550003 2701.000000 1
274.018183 29711.000000 1
274.650009 8103.000000 1
279.100006 1350.500000 1
280.299988 1350.500000 1
282.000000 1350.500000 1
283.000000 1350.500000 1
284.550003 2701.000000 1
285.299988 2701.000000 1
285.699999 9453.500000 1
286.000000 1350.500000 1
286.339996 6752.500000 1
287.019356 41865.500000 1
289.302487 185084674.500000 999
290.899994 5402.000000 1
291.500000 1350.500000 1
291.899994 1350.500000 1
292.100006 1350.500000 1
292.600006 1350.500000 1
//
