MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007466
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007466
RECORD_TITLE: 1,3,5-PENTANETRICARBOXYLIC ACID TRIS(TRIMETHYLSILYL) ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: 1,3,5-PENTANETRICARBOXYLIC ACID TRIS(TRIMETHYLSILYL) ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H36O6Si3
CH$EXACT_MASS: 420.18197
CH$SMILES: O=C(CCC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C17H36O6Si3/c1-24(2,3)21-15(18)12-10-14(17(20)23-26(7,8)9)11-13-16(19)22-25(4,5)6/h14H,10-13H2,1-9H3
CH$LINK: INCHIKEY
BTMRCUTZCUEEAP-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-01-SG
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: splash10-00di-9720100000-c774a3ba4f1dff94c370
PK$NUM_PEAK: 82
PK$PEAK: m/z int. rel.int.
43 6.8 68
44 3.9 39
45 10.7 107
47 0.45 5
53 1.1 11
55 24.4 244
57 2.2 22
59 0.22 2
61 2.8 28
67 7.3 73
69 2.8 28
72 0.62 6
73 99.99 999
74 9 90
75 35.2 352
76 0.22 2
77 9.6 96
81 2.8 28
83 1.1 11
95 1.19 12
97 1.1 11
101 1.7 17
109 2.8 28
116 0.9 9
117 7.9 79
122 2.2 22
123 27.8 278
124 0.17 2
129 20.4 204
130 2.2 22
131 2.2 22
133 0.45 5
141 3.4 34
143 2.8 28
145 1.1 11
147 3.35 34
148 5.6 56
149 11.3 113
150 1.7 17
151 0.45 5
153 3.4 34
157 2.2 22
158 13 130
159 0.11 1
169 10.7 107
170 1.7 17
171 23.8 238
172 0.22 2
173 1.1 11
185 7.3 73
186 5.6 56
187 0.11 1
189 2.8 28
197 3.4 34
199 13.6 136
200 0.11 1
201 1.1 11
203 2.2 22
204 37.5 375
205 0.68 7
206 2.8 28
212 1.1 11
213 3.9 39
217 0.56 6
219 3.9 39
225 1.1 11
241 2.8 28
243 0.39 4
245 1.1 11
262 1.1 11
273 3.4 34
276 0.39 4
287 2.8 28
289 2.8 28
302 15.3 153
303 0.34 3
304 1.1 11
330 3.4 34
331 1.1 11
405 4.87 49
406 14.2 142
407 6.2 62
//