ACCESSION: MSBNK-PFOS_research_group-FFF00251
RECORD_TITLE: Androsterone; LC-APPI-QQ; MS2; CE:60 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$NAME: Androsterone
CH$COMPOUND_CLASS: Natural Product; Steroid hormone
CH$FORMULA: C19H30O2
CH$EXACT_MASS: 290.22458
CH$SMILES: OC(C4)CC([H])(C3)C(C)(C4)C(C2)C(C3)C(C1)C(C)(C2)C(=O)C1
CH$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/h12-16,20H,3-11H2,1-2H3/t12-,13+,14?,15?,16?,18?,19?/m0/s1
CH$LINK: CAS
53-41-8
CH$LINK: LIPIDBANK
SST0002
CH$LINK: INCHIKEY
QGXBDMJGAMFCBF-LISVHTKMSA-N
AC$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$FOCUSED_ION: BASE_PEAK 91.199997
MS$FOCUSED_ION: PRECURSOR_M/Z 255.300000
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-004l-9600000000-f0277447adca28744d53
PK$NUM_PEAK: 230
PK$PEAK: m/z int. rel.int.
39.000000 1350.500000 1
39.850000 2701.000000 3
40.250000 2701.000000 3
40.878572 18907.000000 19
41.154166 32412.000000 33
41.900002 1350.500000 1
42.099998 1350.500000 1
42.299999 1350.500000 1
42.675000 5402.000000 5
43.000000 10804.000000 11
43.299999 8103.000000 8
50.099998 1350.500000 1
50.400002 1350.500000 1
50.799999 4051.500000 4
52.099998 2701.000000 3
52.799999 12154.500000 12
53.127272 29711.000000 30
54.099998 2701.000000 3
55.101242 217430.500000 221
56.200001 1350.500000 1
56.400002 1350.500000 1
56.700001 2701.000000 3
57.099998 2701.000000 3
57.350000 2701.000000 3
59.299999 1350.500000 1
61.099998 1350.500000 1
61.299999 2701.000000 3
62.799999 1350.500000 1
63.099998 2701.000000 3
63.799999 2701.000000 3
64.099998 1350.500000 1
65.058000 67525.000000 69
65.699997 2701.000000 3
66.000000 4051.500000 4
66.500000 17556.500000 18
67.120217 374088.500000 380
68.199997 2701.000000 3
68.500000 4051.500000 4
68.800003 13505.000000 14
69.173334 40515.000000 41
73.400002 1350.500000 1
74.599998 1350.500000 1
75.049999 2701.000000 3
75.400002 1350.500000 1
75.740001 6752.500000 7
77.030986 383542.000000 389
79.074588 818403.000000 830
80.099998 12154.500000 12
81.104978 325470.500000 330
81.950001 2701.000000 3
82.300003 1350.500000 1
82.900002 12154.500000 12
83.800003 1350.500000 1
88.400002 2701.000000 3
89.099998 4051.500000 4
89.599998 5402.000000 5
91.051715 984514.500000 999
91.833336 16206.000000 16
93.123602 217430.500000 221
94.237499 10804.000000 11
95.318185 29711.000000 30
95.699997 2701.000000 3
97.000000 1350.500000 1
97.400002 1350.500000 1
101.199999 4051.500000 4
101.500000 2701.000000 3
101.699997 1350.500000 1
102.425001 10804.000000 11
103.065218 62123.000000 63
105.036928 501035.500000 508
105.900002 4051.500000 4
106.599998 6752.500000 7
106.953334 40515.000000 41
107.500000 1350.500000 1
108.199997 1350.500000 1
108.500000 1350.500000 1
108.816669 8103.000000 8
109.300003 1350.500000 1
113.000000 1350.500000 1
113.199997 1350.500000 1
113.699997 2701.000000 3
114.099998 4051.500000 4
115.082354 137751.000000 140
116.144999 54020.000000 55
117.118253 170163.000000 173
118.199997 5402.000000 5
119.018182 118844.000000 121
120.099998 8103.000000 8
120.933334 8103.000000 8
121.300003 6752.500000 7
121.800003 2701.000000 3
125.099998 1350.500000 1
125.800003 2701.000000 3
126.000000 1350.500000 1
126.250000 2701.000000 3
126.985000 27010.000000 27
127.300003 16206.000000 16
128.043001 270100.000000 274
129.091415 267399.000000 271
131.060349 78329.000000 79
132.025002 5402.000000 5
132.399994 2701.000000 3
133.050003 16206.000000 16
133.500000 4051.500000 4
134.500000 1350.500000 1
134.800003 1350.500000 1
135.199997 1350.500000 1
135.399994 1350.500000 1
138.199997 1350.500000 1
138.760001 13505.000000 14
139.245453 14855.500000 15
139.924995 5402.000000 5
141.098809 113442.000000 115
142.093549 83731.000000 85
143.120652 124246.000000 126
144.110713 37814.000000 38
145.080001 67525.000000 69
146.899994 2701.000000 3
147.300003 2701.000000 3
147.500000 1350.500000 1
150.300003 1350.500000 1
150.800003 2701.000000 3
151.150002 5402.000000 5
152.100006 8103.000000 8
152.449997 2701.000000 3
153.000000 10804.000000 11
153.500000 4051.500000 4
154.000000 9453.500000 10
154.437496 10804.000000 11
155.053488 58071.500000 59
156.114815 36463.500000 37
157.210872 62123.000000 63
157.800003 1350.500000 1
158.025002 5402.000000 5
159.000000 10804.000000 11
161.100006 2701.000000 3
161.399994 1350.500000 1
163.600006 1350.500000 1
163.800003 1350.500000 1
164.100006 1350.500000 1
164.300003 1350.500000 1
165.000002 13505.000000 14
165.800003 1350.500000 1
166.199997 1350.500000 1
166.500000 1350.500000 1
166.699997 6752.500000 7
166.999997 8103.000000 8
167.899994 8103.000000 8
168.299997 9453.500000 10
169.047059 45917.000000 47
169.500000 5402.000000 5
170.099998 5402.000000 5
170.949997 13505.000000 14
171.399994 10804.000000 11
172.199997 1350.500000 1
172.399994 4051.500000 4
172.849998 2701.000000 3
173.349998 5402.000000 5
176.899994 2701.000000 3
177.549999 5402.000000 5
178.050003 2701.000000 3
178.300003 2701.000000 3
178.600006 1350.500000 1
178.899994 1350.500000 1
179.199997 1350.500000 1
179.399994 1350.500000 1
179.800003 1350.500000 1
180.300003 1350.500000 1
180.525002 5402.000000 5
180.849998 2701.000000 3
181.150002 5402.000000 5
181.800003 4051.500000 4
182.250000 2701.000000 3
182.550003 5402.000000 5
183.044447 12154.500000 12
183.899994 1350.500000 1
184.125004 5402.000000 5
184.833333 8103.000000 8
185.300000 13505.000000 14
187.399994 1350.500000 1
188.000000 2701.000000 3
189.100006 1350.500000 1
193.000000 1350.500000 1
193.399994 2701.000000 3
193.699997 1350.500000 1
194.899994 4051.500000 4
195.300003 1350.500000 1
196.800003 5402.000000 5
197.100006 4051.500000 4
197.500000 4051.500000 4
198.600006 1350.500000 1
198.800003 1350.500000 1
199.100006 5402.000000 5
199.325001 5402.000000 5
199.600006 1350.500000 1
200.050003 2701.000000 3
200.800003 1350.500000 1
201.000000 1350.500000 1
201.600006 1350.500000 1
208.800003 1350.500000 1
209.250000 2701.000000 3
209.899994 1350.500000 1
210.800003 1350.500000 1
211.000000 1350.500000 1
211.399994 1350.500000 1
213.199997 1350.500000 1
213.500000 1350.500000 1
216.600006 1350.500000 1
221.199997 1350.500000 1
222.800003 1350.500000 1
224.000000 4051.500000 4
224.250000 5402.000000 5
225.000000 4051.500000 4
225.199997 1350.500000 1
225.500000 4051.500000 4
226.000000 6752.500000 7
226.199997 6752.500000 7
226.800003 2701.000000 3
237.100006 1350.500000 1
238.800003 1350.500000 1
239.000000 1350.500000 1
239.399999 4051.500000 4
239.899994 1350.500000 1
240.300003 1350.500000 1
252.100006 2701.000000 3
252.699997 2701.000000 3
253.100006 1350.500000 1
253.399994 1350.500000 1
254.199997 1350.500000 1
297.500000 1350.500000 1
//
