MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004644
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004644
RECORD_TITLE: 5-ALPHA-ANDROSTANE; 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$NAME: 5-ALPHA-ANDROSTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H32
CH$EXACT_MASS: 260.25040
CH$SMILES: C(C4)CC([H])(C3)C(C)(C4)C([H])(C1)C([H])(C3)C([H])(C2)C(C)(CC2)C1
CH$IUPAC: InChI=1S/C19H32/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h14-17H,3-13H2,1-2H3/t14-,15+,16+,17+,18+,19+/m1/s1
CH$LINK: CAS
438-22-2
CH$LINK: INCHIKEY
QZLYKIGBANMMBK-UGCZWRCOSA-N
CH$LINK: COMPTOX
DTXSID2036532
AC$INSTRUMENT: HITACHI RMU-6M
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: splash10-01ot-8790000000-e6fbfbcebbadbdf83a0d
PK$NUM_PEAK: 84
PK$PEAK: m/z int. rel.int.
27 2.24 22
28 1.12 11
29 6.35 64
39 4.78 48
40 1.19 12
41 24.26 243
42 2.09 21
43 5.37 54
53 7.46 75
54 3.28 33
55 28.37 284
56 2.24 22
57 2.24 22
65 3.66 37
66 2.24 22
67 35.46 355
68 8.21 82
69 10.08 101
77 7.09 71
78 2.02 20
79 20.98 210
80 5.82 58
81 41.95 420
82 8.36 84
83 7.99 80
88 1.19 12
91 11.2 112
92 2.24 22
93 19.71 197
94 11.65 117
95 48.89 489
96 11.79 118
97 3.81 38
105 5.97 60
106 2.46 25
107 23.14 231
108 13.81 138
109 23.89 239
110 4.85 49
111 1.87 19
117 1.12 11
119 3.36 34
120 2.09 21
121 19.48 195
122 7.09 71
123 7.84 78
124 1.12 11
133 6.12 61
134 3.06 31
135 30.16 302
136 7.46 75
137 4.18 42
147 6.79 68
148 16.72 167
149 28.14 281
150 15.3 153
151 5.52 55
161 9.26 93
162 5.9 59
163 11.57 116
164 5 50
165 2.24 22
175 7.32 73
176 4.48 45
177 4.11 41
178 1.87 19
189 13.44 134
190 9.33 93
191 2.09 21
203 46.28 463
204 29.49 295
205 5.23 52
217 24.19 242
218 16.87 169
219 2.84 28
231 2.84 28
232 7.46 75
233 1.49 15
245 86.59 866
246 17.32 173
247 1.57 16
260 99.99 999
261 20.83 208
262 2.24 22
//