ACCESSION: MSBNK-PFOS_research_group-FFF00191
RECORD_TITLE: Epiandrosterone; LC-APPI-QQ; MS2; CE:10 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$NAME: Epiandrosterone
CH$NAME: 3-beta-Hydroxy-5alpha-androstan-17-one
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
481-29-8
CH$LINK: LIPIDBANK
SST0205
CH$LINK: INCHIKEY
QGXBDMJGAMFCBF-CYFBJHQBSA-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 255.399994
MS$FOCUSED_ION: PRECURSOR_M/Z 255.300000
MS$FOCUSED_ION: PRECURSOR_TYPE [M-2H2O+H]+
PK$SPLASH: splash10-0a4i-0090000000-2e9c4a45ba1fb5e66cb5
PK$NUM_PEAK: 175
PK$PEAK: m/z int. rel.int.
61.200001 1350.500000 1
66.199997 1350.500000 1
66.699997 1350.500000 1
67.049999 5402.000000 1
67.900002 1350.500000 1
68.800003 2701.000000 1
69.199997 1350.500000 1
77.900002 1350.500000 1
78.800003 6752.500000 1
79.033333 8103.000000 1
79.699997 1350.500000 1
80.099998 4051.500000 1
81.091228 153957.000000 1
82.199997 1350.500000 1
82.400002 2701.000000 1
83.062499 10804.000000 1
83.300003 8103.000000 1
84.900002 1350.500000 1
85.199997 2701.000000 1
90.099998 2701.000000 1
91.107998 33762.500000 1
91.850002 2701.000000 1
92.400002 5402.000000 1
93.100001 40515.000000 1
93.599998 1350.500000 1
93.900002 1350.500000 1
95.075714 189070.000000 1
95.699997 1350.500000 1
96.574999 5402.000000 1
97.000000 8103.000000 1
97.500000 6752.500000 1
99.400002 1350.500000 1
103.099998 1350.500000 1
103.699997 2701.000000 1
105.054436 334924.000000 2
105.900002 1350.500000 1
106.099998 4051.500000 1
107.000001 145854.000000 1
107.950001 2701.000000 1
108.400002 5402.000000 1
109.052577 130998.500000 1
110.500000 1350.500000 1
110.900002 8103.000000 1
111.199998 6752.500000 1
111.850002 2701.000000 1
115.549999 2701.000000 1
117.110525 51319.000000 1
118.000000 4051.500000 1
119.248571 94535.000000 1
120.049999 5402.000000 1
120.300003 6752.500000 1
121.054840 209327.500000 1
122.199997 2701.000000 1
123.008065 83731.000000 1
123.699997 1350.500000 1
124.699997 1350.500000 1
125.400002 5402.000000 1
125.599998 1350.500000 1
126.599998 1350.500000 1
128.500000 1350.500000 1
129.022224 12154.500000 1
129.699997 2701.000000 1
130.000000 5402.000000 1
131.168033 164761.000000 1
131.699997 4051.500000 1
132.300003 4051.500000 1
133.152526 267399.000000 2
135.113924 213379.000000 1
137.100006 45917.000000 1
138.899994 1350.500000 1
140.399994 1350.500000 1
140.800003 1350.500000 1
141.899994 2701.000000 1
143.090001 27010.000000 1
144.020001 13505.000000 1
145.091489 698208.500000 4
147.170502 645539.000000 4
148.049999 5402.000000 1
149.167469 224183.000000 1
150.200001 10804.000000 1
151.190000 459170.000000 3
152.000000 2701.000000 1
152.699997 1350.500000 1
154.699997 1350.500000 1
155.199997 2701.000000 1
156.100006 1350.500000 1
156.600006 4051.500000 1
157.192592 36463.500000 1
159.118324 950752.000000 5
161.126887 1145224.000000 7
161.899994 2701.000000 1
162.199997 4051.500000 1
163.172727 178266.000000 1
164.000000 1350.500000 1
168.500000 1350.500000 1
168.699997 1350.500000 1
169.199997 1350.500000 1
169.699997 1350.500000 1
171.200000 153957.000000 1
172.066671 12154.500000 1
172.300003 12154.500000 1
173.172637 942649.000000 5
175.111321 357882.500000 2
177.230475 141802.500000 1
177.899994 2701.000000 1
179.300003 1350.500000 1
181.000000 2701.000000 1
183.199997 4051.500000 1
183.500000 2701.000000 1
183.800003 5402.000000 1
184.100006 2701.000000 1
185.170179 525344.500000 3
187.144186 348429.000000 2
187.899994 1350.500000 1
189.160527 513190.000000 3
189.899994 1350.500000 1
191.199997 1350.500000 1
193.300003 1350.500000 1
194.750000 5402.000000 1
195.000000 1350.500000 1
195.250000 2701.000000 1
197.199997 4051.500000 1
197.474998 5402.000000 1
198.199997 8103.000000 1
199.193648 1573332.500000 9
201.182100 1222202.500000 7
204.899994 1350.500000 1
208.000000 1350.500000 1
209.000000 1350.500000 1
209.300003 1350.500000 1
210.399994 1350.500000 1
211.233332 8103.000000 1
211.800003 1350.500000 1
212.000000 1350.500000 1
213.184966 592869.500000 3
214.000000 1350.500000 1
214.199997 9453.500000 1
215.000000 1350.500000 1
219.150002 2701.000000 1
219.399994 1350.500000 1
221.199997 1350.500000 1
222.399994 1350.500000 1
222.699997 2701.000000 1
222.899994 10804.000000 1
223.300003 13505.000000 1
224.699997 1350.500000 1
225.275002 5402.000000 1
225.750000 2701.000000 1
226.399998 18907.000000 1
227.214287 264698.000000 2
236.699997 1350.500000 1
237.399994 8103.000000 1
238.100006 1350.500000 1
239.000000 1350.500000 1
239.399994 1350.500000 1
239.699997 1350.500000 1
240.145456 29711.000000 1
247.000000 1350.500000 1
247.300003 1350.500000 1
247.800003 2701.000000 1
248.000000 1350.500000 1
248.199997 1350.500000 1
248.500000 1350.500000 1
249.600006 2701.000000 1
249.899994 2701.000000 1
250.399994 1350.500000 1
250.600006 1350.500000 1
250.800003 2701.000000 1
251.100006 1350.500000 1
251.733337 8103.000000 1
252.100006 6752.500000 1
255.307667 174350900.500000 999
256.899994 4051.500000 1
257.199997 5402.000000 1
273.299988 1350.500000 1
//
