MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004121
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004121
RECORD_TITLE: TESTOSTERONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: TESTOSTERONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H28O2
CH$EXACT_MASS: 288.20893
CH$SMILES: O=C(C4)C=C(C3)C(C)(C4)C([H])(C2)C([H])(C3)C([H])(C1)C(C)(C2)C(O)C1
CH$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$LINK: INCHIKEY
MUMGGOZAMZWBJJ-DYKIIFRCSA-N
CH$LINK: COMPTOX
DTXSID8022371
AC$INSTRUMENT: HITACHI RMU-6E
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-05fs-4920000000-ccd839134de79f179f9e
PK$NUM_PEAK: 134
PK$PEAK: m/z int. rel.int.
17 4 40
18 22 220
27 4 40
28 2 20
29 8 80
39 6 60
40 2 20
41 0.2 2
42 22 220
43 2 20
44 2 20
51 0.2 2
53 9 90
54 2 20
55 23 230
56 0.2 2
57 9 90
65 5 50
66 2 20
67 2 20
68 4 40
69 10 100
70 2 20
71 0.4 4
77 14 140
78 4 40
79 25 250
80 0.5 5
81 20 200
82 4 40
83 6 60
84 0.2 2
85 2 20
86 2 20
87 3 30
91 2.5 25
92 5 50
93 22 220
94 10 100
95 1.9 19
96 6 60
97 10 100
103 2 20
104 0.2 2
105 23 230
106 8 80
107 21 210
108 1 10
109 25 250
110 9 90
111 6 60
115 0.3 3
117 6 60
118 3 30
119 19 190
120 0.7 7
121 18 180
122 13 130
123 22 220
124 99.99 999
125 11 110
129 4 40
130 2 20
131 1.1 11
132 5 50
133 13 130
134 11 110
135 1 10
136 7 70
137 11 110
138 3 30
141 0.2 2
143 4 40
144 3 30
145 8 80
146 1.1 11
147 32 320
148 13 130
149 14 140
150 0.5 5
151 6 60
152 2 20
157 3 30
158 0.2 2
159 7 70
160 4 40
161 6 60
162 0.4 4
163 3 30
164 8 80
165 11 110
166 0.2 2
171 3 30
172 2 20
173 4 40
174 0.5 5
175 4 40
176 3 30
177 2 20
185 0.7 7
186 2 20
187 6 60
188 2 20
189 0.3 3
190 2 20
199 3 30
200 2 20
201 0.3 3
202 4 40
203 20 200
204 6 60
211 0.3 3
213 6 60
214 2 20
215 2 20
216 0.2 2
217 7 70
218 4 40
227 2 20
228 1.2 12
229 6 60
231 5 50
232 5 50
244 2 20
245 3 30
246 33 330
247 6 60
255 0.3 3
260 2 20
270 5 50
273 5 50
288 3.7 37
289 10 100
290 2 20
//