MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009693
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009693
RECORD_TITLE: TESTSTERONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: TESTSTERONE
CH$NAME: 17BETA-HYDROXYANDROST-4-EN-3-ONE
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 M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00ds-0950000000-c65fc8043083ad93d169
PK$NUM_PEAK: 103
PK$PEAK: m/z int. rel.int.
55 1.31 13
67 1.78 18
79 2.5 25
81 4.22 42
82 1.05 11
83 1.27 13
91 2.68 27
93 7.29 73
94 5.5 55
95 7.33 73
96 2.65 27
97 5.01 50
105 6.6 66
106 3.63 36
107 10.14 101
108 5.15 52
109 15.79 158
110 6.61 66
111 3.97 40
117 1.25 13
118 1.29 13
119 5.82 58
120 4.69 47
121 10.25 103
122 8.66 87
123 15.44 154
124 99.99 999
125 9.86 99
131 6.2 62
132 3.52 35
133 8.69 87
134 9.44 94
135 6.65 67
136 5.69 57
137 9.37 94
138 2.84 28
143 1.32 13
144 2.39 24
145 4.65 47
146 8.95 90
147 31.22 312
148 11.38 114
149 7.18 72
150 2.87 29
151 4.35 44
152 1.36 14
157 1.7 17
158 1.48 15
159 4.9 49
160 2.75 28
161 3.84 38
162 3.83 38
163 2.78 28
164 7.3 73
165 11.69 117
166 2.19 22
171 1.7 17
172 1.29 13
173 2.65 27
174 4.32 43
175 2.75 28
176 2.32 23
177 1.76 18
185 5.46 55
186 1.99 20
187 5.38 54
188 2.35 24
189 2.9 29
190 2.64 26
199 1.93 19
200 1.73 17
201 2.85 29
202 3.66 37
203 24.61 246
204 7.27 73
205 1.11 11
211 2.8 28
213 5.77 58
215 1.24 12
216 1.55 16
217 1.81 18
218 1.39 14
226 1.32 13
227 2.46 25
228 16.17 162
229 7.1 71
230 1.49 15
231 5.7 57
232 1.79 18
244 2.35 24
245 3.61 36
246 57.66 577
247 10.99 110
248 1.08 11
255 3.14 31
260 2.68 27
270 5.47 55
271 1.51 15
273 5.8 58
274 1.3 13
288 65.45 655
289 14.87 149
290 1.94 19
//