MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002743
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002743
RECORD_TITLE: METHYL 2-TRIMETHYLSILOXY-OCTADECANOATE; 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$NAME: METHYL 2-TRIMETHYLSILOXY-OCTADECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H46O3Si
CH$EXACT_MASS: 386.32162
CH$SMILES: CCCCCCCCCCCCCCCCC(C(=O)OC)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C22H46O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22(23)24-2)25-26(3,4)5/h21H,6-20H2,1-5H3
CH$LINK: INCHIKEY
MPVPFICBAYSSLQ-UHFFFAOYSA-N
AC$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: splash10-004i-9306000000-e3488054faf0a2fab62c
PK$NUM_PEAK: 108
PK$PEAK: m/z int. rel.int.
39 0.5 5
40 4.6 46
41 9.8 98
42 1.3 13
43 18.7 187
44 1.9 19
45 3.8 38
47 0.28 3
48 1.5 15
53 1.6 16
54 2 20
55 1.09 11
56 1.2 12
57 12.5 125
58 1.3 13
59 0.78 8
61 1.8 18
66 1 10
67 5.6 56
68 0.27 3
69 11.4 114
70 2.3 23
71 8.1 81
72 0.17 2
73 53.6 536
74 6.4 64
75 15.1 151
76 0.17 2
77 1.8 18
79 1.8 18
80 1.1 11
81 0.61 6
82 3.1 31
83 14.7 147
84 2.1 21
85 0.6 6
87 2.3 23
88 1.2 12
89 26.3 263
90 0.29 3
91 4.7 47
92 0.9 9
93 1.1 11
95 0.59 6
96 1.4 14
97 12.7 127
98 2.2 22
99 0.17 2
101 3.3 33
102 1.2 12
103 15.3 153
104 0.2 2
105 2.4 24
107 2.2 22
108 1.3 13
109 0.32 3
110 1.3 13
111 5.3 53
112 1.2 12
113 0.14 1
115 3.2 32
116 2.6 26
117 1.7 17
119 0.29 3
121 1 10
123 1.6 16
124 1.2 12
125 0.2 2
127 1.1 11
129 10.9 109
130 2.2 22
131 0.22 2
135 1 10
137 1 10
139 1.1 11
143 0.17 2
145 2.5 25
146 2.8 28
147 0.5 5
149 0.1 1
157 0.9 9
159 7.8 78
160 1.5 15
161 0.16 2
162 1.9 19
171 0.9 9
185 1.5 15
199 0.1 1
201 0.9 9
253 1.3 13
257 0.9 9
271 0.09 1
311 1.2 12
325 1.4 14
326 2.6 26
327 99.99 999
328 28 280
329 7.2 72
330 1.4 14
343 0.46 5
344 1.7 17
369 1.5 15
370 2.5 25
371 3.74 37
372 11.2 112
373 3 30
374 0.9 9
386 1.6 16
//
system version 2.2.8-SNAPSHOT