MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002711
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002711
RECORD_TITLE: 5-ALPHA-CHOLESTANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 5-ALPHA-CHOLESTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C27H48
CH$EXACT_MASS: 372.37560
CH$SMILES: C(C([H])41)([H])(C(C([H])3CC4)(C)CCCC3)CCC(C)(C(C(C)CCCC(C)C)2)C1([H])CC2
CH$IUPAC: InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21-,22+,23?,24+,25+,26+,27-/m1/s1
CH$LINK: INCHIKEY
XIIAYQZJNBULGD-GZHIZRLSSA-N
AC$INSTRUMENT: SHIMADZU LKB-9000B
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: splash10-066r-9852000000-3f16668bd0029614e716
PK$NUM_PEAK: 120
PK$PEAK: m/z int. rel.int.
53 5.3 53
54 1.5 15
55 32.3 323
56 4.8 48
57 19.7 197
58 2.2 22
59 0.6 6
65 0.31 3
66 1.9 19
67 25.2 252
68 10.7 107
69 2.37 24
70 3.2 32
71 7.1 71
72 1.9 19
75 1.59 16
76 2.8 28
77 6.9 69
78 1.7 17
79 1.56 16
80 5.3 53
81 39.1 391
82 9.4 94
83 1.67 17
84 1.9 19
85 2 20
87 0.5 5
88 0.16 2
91 9.9 99
92 2.7 27
93 20.9 209
94 0.88 9
95 40 400
96 1 10
97 11 110
98 0.16 2
99 1.2 12
101 1.1 11
105 8.4 84
106 0.45 5
107 15.6 156
108 18.9 189
109 39.8 398
110 0.19 2
111 4.9 49
112 1.9 19
113 1.4 14
115 0.07 1
116 1.5 15
117 2 20
118 1.4 14
119 0.37 4
120 3.5 35
121 20.4 204
122 16.7 167
123 1.99 20
124 3.1 31
125 1.2 12
128 1.4 14
129 0.22 2
131 1.3 13
134 2.5 25
135 15.6 156
136 0.56 6
137 8.8 88
138 1 10
143 0.2 2
145 0.09 1
146 1.2 12
147 5.9 59
148 12.6 126
149 4.73 47
150 19 190
151 11.1 111
152 1.7 17
153 0.12 1
155 1.4 14
159 1.8 18
161 4.5 45
162 0.83 8
163 7.5 75
164 2.2 22
165 0.4 4
175 0.97 10
176 0.8 8
178 0.1 1
179 0.6 6
189 0.36 4
190 1.8 18
202 1 10
203 9.4 94
204 0.22 2
215 1.2 12
216 1.3 13
217 99.99 999
218 5.7 57
219 15.2 152
220 3 30
221 0.6 6
223 0.01 0
231 1.9 19
232 12.7 127
233 4.1 41
247 0.16 2
251 0.3 3
257 3.7 37
258 1.2 12
259 0.15 2
262 9.6 96
263 1.5 15
266 0.1 1
295 0.03 0
315 1.1 11
354 1.6 16
357 27.2 272
358 0.86 9
370 1.2 12
372 33.8 338
373 8.6 86
374 1.2 12
//