MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002742
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002742
RECORD_TITLE: METHYL 2-TRIMETHYLSILOXY-HEXADECANOATE; 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$NAME: METHYL 2-TRIMETHYLSILOXY-HEXADECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H42O3Si
CH$EXACT_MASS: 358.29032
CH$SMILES: CCCCCCCCCCCCCCC(C(=O)OC)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C20H42O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20(21)22-2)23-24(3,4)5/h19H,6-18H2,1-5H3
CH$LINK: INCHIKEY
ISYKTPYDGSSZAA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID30335317
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$SPLASH: splash10-0005-9344000000-1385801019eaee3802c9
PK$NUM_PEAK: 102
PK$PEAK: m/z int. rel.int.
39 1.5 15
40 1.7 17
41 12 120
42 0.23 2
43 18.3 183
44 0.9 9
45 4.4 44
47 0.12 1
53 1.3 13
54 1.6 16
55 11.4 114
56 0.28 3
57 13.3 133
58 1.4 14
59 9.8 98
60 0.12 1
61 2 20
67 4.5 45
68 2.2 22
69 1.39 14
70 2 20
71 7.2 72
72 2 20
73 5.17 52
74 6.2 62
75 16.3 163
76 1.6 16
77 0.12 1
79 1.3 13
81 4.6 46
82 2.7 27
83 1.67 17
84 1.8 18
85 4.4 44
86 0.9 9
87 0.18 2
88 0.9 9
89 30 300
90 2.7 27
91 0.55 6
93 0.9 9
95 4.5 45
96 1 10
97 1.32 13
98 1.9 19
99 1.3 13
101 3.5 35
102 0.11 1
103 17.4 174
104 2 20
105 1.7 17
107 0.21 2
108 1 10
109 2.5 25
110 0.9 9
111 0.52 5
112 1.2 12
113 1 10
115 2.9 29
116 0.22 2
117 1.6 16
119 3.1 31
123 1.3 13
125 0.17 2
129 10.3 103
130 1.7 17
131 2.3 23
143 0.14 1
145 1.9 19
146 2.6 26
147 0.5 5
149 0.08 1
159 8.5 85
160 1.3 13
161 1.5 15
162 0.16 2
171 0.9 9
185 1.5 15
191 0.1 1
207 0.13 1
225 0.9 9
227 0.7 7
257 0.8 8
281 0.06 1
282 0.2 2
283 0.5 5
297 1.3 13
298 0.14 1
299 99.99 999
300 26.3 263
301 7.2 72
302 0.14 1
315 4.3 43
316 1.3 13
341 0.7 7
342 0.11 1
343 36.3 363
344 10 100
345 3.1 31
346 0.08 1
355 0.3 3
358 0.9 9
//
system version 2.2.8-SNAPSHOT