MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002746
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002746
RECORD_TITLE: METHYL 2-TRIMETHYLSILOXY-TETRACOSANOATE; 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$NAME: METHYL 2-TRIMETHYLSILOXY-TETRACOSANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C28H58O3Si
CH$EXACT_MASS: 470.41552
CH$SMILES: C(CC(C(OC)=O)O[Si](C)(C)C)CCCCCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C28H58O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28(29)30-2)31-32(3,4)5/h27H,6-26H2,1-5H3
CH$LINK: INCHIKEY
IBDXNSNFZWQOOS-UHFFFAOYSA-N
AC$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: splash10-03di-9300800000-1215f76a9c3030611703
PK$NUM_PEAK: 158
PK$PEAK: m/z int. rel.int.
39 1.7 17
41 9.8 98
42 2.6 26
43 22.1 221
44 0.7 7
45 1.6 16
47 0.8 8
53 0.08 1
54 1.6 16
55 12.7 127
56 2.5 25
57 1.94 19
58 1.3 13
59 4.4 44
60 0.6 6
61 0.1 1
65 0.4 4
66 0.5 5
67 4.4 44
68 0.25 3
69 11.3 113
70 1.7 17
71 10.1 101
72 0.14 1
73 51.2 512
74 4.9 49
75 13.3 133
76 0.13 1
77 0.6 6
79 0.3 3
80 0.7 7
81 0.52 5
82 4 40
83 12.7 127
84 1.5 15
85 0.52 5
86 0.6 6
87 1.7 17
88 0.7 7
89 2.02 20
90 2.1 21
91 4.6 46
92 0.5 5
93 0.08 1
94 0.7 7
95 5.5 55
96 1.6 16
97 1.03 10
98 1.9 19
99 1.6 16
101 2.2 22
102 0.06 1
103 12.5 125
104 1.5 15
105 1.9 19
107 0.12 1
108 0.2 2
109 2.6 26
110 1.2 12
111 0.53 5
112 0.8 8
113 1.2 12
115 2.2 22
116 0.17 2
117 1 10
118 0.4 4
119 1.3 13
120 0.04 0
121 0.6 6
123 1.5 15
124 0.7 7
125 0.2 2
126 0.4 4
127 1 10
129 13.7 137
130 0.2 2
131 2 20
132 0.5 5
133 0.2 2
134 0.04 0
135 0.2 2
137 0.9 9
138 0.5 5
139 0.08 1
141 0.5 5
143 1.9 19
145 1.8 18
146 0.18 2
147 0.6 6
148 0.2 2
149 0.4 4
151 0.06 1
152 0.4 4
153 0.6 6
155 0.5 5
157 0.06 1
159 7.1 71
160 1.1 11
161 1.3 13
162 0.18 2
163 0.1 1
171 0.7 7
173 0.5 5
185 0.15 2
186 0.5 5
199 0.5 5
201 0.5 5
207 0.11 1
215 0.4 4
219 0.4 4
221 0.4 4
227 0.04 0
243 0.4 4
255 0.4 4
257 0.5 5
267 0.01 0
271 0.5 5
281 1 10
282 0.1 1
283 0.01 0
285 0.5 5
297 0.4 4
299 0.5 5
311 0.4 4
313 0.4 4
320 0.5 5
327 0.1 1
337 0.05 1
341 0.5 5
355 0.5 5
357 0.1 1
395 0.08 1
398 0.5 5
409 1.4 14
410 5.3 53
411 99.99 999
412 33.1 331
413 9.2 92
414 1.2 12
415 0.01 0
423 0.3 3
426 0.4 4
427 3.6 36
428 0.09 1
429 0.4 4
431 0.1 1
438 0.4 4
452 0.04 0
453 1.2 12
454 4 40
455 35.9 359
456 1.3 13
457 3.4 34
458 0.7 7
469 0.7 7
470 0.36 4
471 1.3 13
472 0.4 4
//
system version 2.2.8-SNAPSHOT