MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011411
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011411
RECORD_TITLE: 5-ALPHA-ANDROSTAN-3-ONE; 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$NAME: 5-ALPHA-ANDROSTAN-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H30O
CH$EXACT_MASS: 274.22967
CH$SMILES: O=C(C4)CC([H])(C3)C(C)(C4)C([H])(C1)C([H])(C3)C([H])(C2)C(C)(CC2)C1
CH$IUPAC: InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13,15-17H,3-12H2,1-2H3/t13-,15-,16-,17-,18-,19-/m0/s1
CH$LINK: INCHIKEY
VMNRNUNYBVFVQI-QYXZOKGRSA-N
AC$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: splash10-0uk9-2690000000-c18334705c70a5aae861
PK$NUM_PEAK: 93
PK$PEAK: m/z int. rel.int.
43 1.12 11
55 2.78 28
57 2.34 23
67 3.82 38
68 3.37 34
69 3.01 30
79 2.14 21
80 1.79 18
81 10.85 109
82 3.66 37
83 3.47 35
91 1.27 13
92 1.09 11
93 6.3 63
94 4.18 42
95 19.39 194
96 4.29 43
97 3.08 31
98 1.12 11
105 2.95 30
106 6.09 61
107 15.31 153
108 6.52 65
109 11.9 119
110 3.35 34
111 4.69 47
118 1.27 13
119 3.78 38
120 3.52 35
121 11.37 114
122 4.23 42
123 9.09 91
124 8.76 88
125 1.99 20
131 2.08 21
132 1.1 11
133 4.34 43
134 2.15 22
135 8.13 81
136 2.7 27
137 3.96 40
145 2.84 28
146 1.87 19
147 4.77 48
148 2.83 28
149 8.44 84
150 2.4 24
151 3.3 33
159 2.79 28
160 1.64 16
161 4.75 48
162 3.15 32
163 7.78 78
164 2.04 20
165 1.2 12
173 2.63 26
174 1.6 16
175 3.57 36
176 2.88 29
177 2.43 24
179 1.36 14
185 1.48 15
187 13.05 131
188 2.72 27
189 6.39 64
190 1.95 20
199 1.14 11
200 1.55 16
201 5.12 51
202 99.99 999
204 15.8 158
205 1.9 19
213 1.9 19
214 1.79 18
216 2.44 24
217 7.53 75
218 1.97 20
219 4.81 48
227 1.05 11
230 17.8 178
232 8 80
233 1.27 13
241 8.6 86
242 1.61 16
245 2.07 21
246 3.99 40
247 1 10
256 2.3 23
259 17.69 177
260 3.46 35
274 60.42 604
275 12.12 121
276 1.4 14
//