MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005453
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005453
RECORD_TITLE: ETHYL (4R*,5R*)-(E)-5-HYDROXY-4-(TERT-BUTYLDIMETHYLSILYL)OXY-2-HEXENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HIRAMA M, TOHOKU UNIV. FACULTY OF SCIENCE DEPT. OF CHEMISTRY YUKIBUNSEKI
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL (4R*,5R*)-(E)-5-HYDROXY-4-(TERT-BUTYLDIMETHYLSILYL)OXY-2-HEXENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H28O4Si
CH$EXACT_MASS: 288.17569
CH$SMILES: CCOC(=O)C=CC(C(C)O)O[Si](C)(C)C(C)(C)C
CH$IUPAC: InChI=1S/C14H28O4Si/c1-8-17-13(16)10-9-12(11(2)15)18-19(6,7)14(3,4)5/h9-12,15H,8H2,1-7H3/b10-9+/t11-,12-/m1/s1
CH$LINK: INCHIKEY
CLHAZTQYBPVDIY-CZHKVUGUSA-N
AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-01t9-8910000000-aeeb646e62fa1067176b
PK$NUM_PEAK: 101
PK$PEAK: m/z int. rel.int.
26 1.6 16
27 3.5 35
28 37.4 374
29 0.98 10
30 0.4 4
31 4 40
32 10.4 104
39 0.47 5
40 2.5 25
41 17.2 172
42 1.5 15
43 2.18 22
44 13.3 133
45 4.7 47
46 1.3 13
53 0.12 1
54 3.7 37
55 20.1 201
56 8.5 85
57 0.45 5
58 2.5 25
59 1.5 15
66 1.1 11
67 0.37 4
68 0.6 6
69 1.7 17
71 0.8 8
73 7.62 76
74 4.7 47
75 99.99 999
76 4.4 44
77 0.27 3
81 2.3 23
82 2.2 22
83 12.8 128
84 0.77 8
85 2 20
94 0.9 9
95 3.2 32
97 0.37 4
99 10.4 104
103 13.6 136
105 0.9 9
110 0.16 2
111 54.7 547
112 6.5 65
113 26.5 265
114 0.21 2
115 17.8 178
116 3.5 35
117 2.4 24
121 0.17 2
125 1.6 16
127 3.7 37
129 4.6 46
130 0.15 2
131 17.5 175
132 2.6 26
133 1.6 16
140 0.15 2
141 16.7 167
142 8.3 83
143 2.7 27
145 0.19 2
149 4.6 46
155 2.2 22
156 1.1 11
157 1.26 13
158 2.4 24
159 21.3 213
160 3.7 37
161 0.22 2
167 1 10
169 0.9 9
171 5.2 52
172 0.06 1
173 1.5 15
183 1.7 17
185 27.6 276
186 0.47 5
187 23.7 237
188 2.7 27
189 1.7 17
198 2.28 23
199 9.7 97
200 3.4 34
201 1.2 12
205 0.35 4
213 4.5 45
214 0.5 5
215 6.3 63
216 0.19 2
217 0.4 4
227 1.5 15
229 2.1 21
231 1.36 14
232 2.5 25
243 7.7 77
244 24.3 243
245 0.43 4
246 1.7 17
//