MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004114
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004114
RECORD_TITLE: STANOLONE; 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$NAME: STANOLONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H30O2
CH$EXACT_MASS: 290.22458
CH$SMILES: O=C(C4)CC([H])(C3)C(C)(C4)C([H])(C2)C([H])(C3)C([H])(C1)C(C)(C2)C([H])(O)C1
CH$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/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
CH$LINK: INCHIKEY
NVKAWKQGWWIWPM-ABEVXSGRSA-N
CH$LINK: COMPTOX
DTXSID9022364
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$SPLASH: splash10-015c-8970000000-ef0c6a4fd9c52be30284
PK$NUM_PEAK: 149
PK$PEAK: m/z int. rel.int.
17 7.8 78
18 37.8 378
27 5.7 57
28 6.2 62
29 12.4 124
31 1.5 15
39 7 70
40 0.23 2
41 4.15 42
42 3.5 35
43 21.8 218
44 0.19 2
45 1.7 17
53 15 150
54 4.1 41
55 5.09 51
56 4.3 43
57 11 110
58 1.4 14
65 0.54 5
66 3.2 32
67 38.3 383
68 28 280
69 1.88 19
70 2.1 21
71 8.5 85
74 1.9 19
77 1.49 15
78 3.3 33
79 31.4 314
80 9 90
81 4.4 44
82 10.6 106
83 9.9 99
84 3.2 32
85 0.28 3
88 0.16 2
91 22.5 225
92 4.8 48
93 3.18 32
94 16 160
95 34.7 347
96 7.1 71
97 1.22 12
98 1.7 17
99 1.3 13
103 1.4 14
104 0.16 2
105 21.7 217
106 7.3 73
107 28.4 284
108 1.17 12
109 21.7 217
110 9.7 97
111 9.6 96
112 0.19 2
115 1.7 17
117 3.9 39
118 5 50
119 1.65 17
120 7.9 79
121 27.1 271
122 16.6 166
123 3.57 36
124 26.5 265
125 4.8 48
129 1.8 18
131 0.65 7
132 3.1 31
133 12 120
134 4.8 48
135 1.36 14
136 7.8 78
137 10.2 102
138 1.7 17
143 0.23 2
144 1.6 16
145 7.4 74
146 3.7 37
147 1.18 12
148 6 60
149 16.7 167
150 3.3 33
151 0.31 3
157 2.8 28
158 1.5 15
159 8.9 89
160 0.3 3
161 11.9 119
162 6.4 64
163 30.1 301
164 0.89 9
165 6 60
166 3 30
167 5.4 54
171 0.22 2
172 1.4 14
173 5.8 58
174 5.2 52
175 0.87 9
176 7.2 72
177 4 40
178 2.6 26
179 0.56 6
185 3 30
186 1.4 14
187 3.1 31
188 0.17 2
189 8 80
190 4.6 46
191 2.1 21
192 0.13 1
197 1.2 12
199 13 130
200 5.9 59
201 0.53 5
202 1.7 17
203 4.3 43
204 7.6 76
205 0.2 2
213 5.6 56
214 1.6 16
215 13.1 131
216 3.1 31
217 10.7 107
218 5.5 55
219 2.3 23
220 0.21 2
228 1.2 12
229 2.3 23
230 2.3 23
231 99.99 999
232 23.1 231
233 19 190
234 3.7 37
244 0.16 2
246 18.9 189
247 10.7 107
248 2.1 21
257 0.97 10
258 1.9 19
261 1.6 16
272 10.4 104
273 0.23 2
275 7.7 77
276 1.9 19
290 89 890
291 1.88 19
292 2 20
//