MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002739
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002739
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 23 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03di-2100900000-ed59bcafc323eb4f4492
PK$NUM_PEAK: 102
PK$PEAK: m/z int. rel.int.
43 1.5 15
44 0.1 1
55 1.6 16
56 1 10
57 4.5 45
59 0.8 8
67 1.2 12
68 0.1 1
69 4.1 41
70 1.2 12
71 4.3 43
73 0.79 8
74 1.7 17
75 3.4 34
81 1.6 16
82 0.28 3
83 5.3 53
84 1.2 12
85 2.5 25
89 0.32 3
91 2.5 25
95 1.7 17
96 2 20
97 0.67 7
98 1.6 16
99 1.5 15
103 7 70
104 0.1 1
105 1.1 11
107 1.3 13
108 1 10
109 0.12 1
110 1 10
111 3.5 35
112 0.8 8
113 0.1 1
115 0.6 6
116 1.1 11
117 0.7 7
119 0.11 1
121 0.5 5
123 1 10
124 0.6 6
125 0.16 2
127 0.8 8
129 2 20
135 0.6 6
137 0.08 1
139 0.8 8
141 0.7 7
143 0.6 6
146 0.06 1
147 0.5 5
148 0.6 6
149 0.9 9
159 0.12 1
161 0.7 7
162 1.8 18
163 0.6 6
185 0.08 1
191 0.7 7
206 0.6 6
210 0.7 7
219 0.07 1
221 0.5 5
267 0.2 2
281 0.6 6
283 0.03 0
284 0.6 6
320 0.5 5
327 0.7 7
340 0.15 2
343 0.1 1
355 0.7 7
356 0.2 2
357 0.02 0
395 0.7 7
409 1.2 12
410 6.7 67
411 99.99 999
412 33 330
413 8.8 88
414 1.8 18
415 0.03 0
426 0.6 6
427 3.8 38
428 1.9 19
429 0.12 1
430 0.6 6
431 0.3 3
432 0.7 7
438 0.05 1
453 1.4 14
454 4.5 45
455 33.3 333
456 1.2 12
457 3.4 34
458 0.8 8
469 1.7 17
470 0.39 4
471 1.6 16
472 0.6 6
//
system version 2.2.8-SNAPSHOT