MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005460
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005460
RECORD_TITLE: ETHYL (4R*,5R*)-(E)-4-HYDROXY-5-(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$NAME: ETHYL (4R*,5R*)-(E)-4-HYDROXY-5-(TERT-BUTYLDIMETHYLSILYL)OXY-2-HEXENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H28O4Si
CH$EXACT_MASS: 288.17569
CH$SMILES: CCOC(=O)C=CC(O)C(C)O[Si](C)(C)C(C)(C)C
CH$IUPAC: InChI=1S/C14H28O4Si/c1-8-17-13(16)10-9-12(15)11(2)18-19(6,7)14(3,4)5/h9-12,15H,8H2,1-7H3/b10-9+/t11-,12-/m1/s1
CH$LINK: INCHIKEY
RXPVQCWVKQYMHW-CZHKVUGUSA-N
AC$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: splash10-08i0-4900000000-93d7e5477fbd3acfc5a1
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
18 22.4 224
28 12.8 128
43 17.3 173
55 0.24 2
73 29.5 295
74 2.8 28
75 43.8 438
76 0.23 2
77 1.9 19
81 1 10
82 2 20
83 0.33 3
84 1.7 17
85 0.4 4
95 3.7 37
97 0.22 2
99 2.2 22
101 4.1 41
102 1.4 14
103 1.64 16
104 3.4 34
105 2.1 21
110 0.7 7
111 99.99 999
112 8.5 85
113 2.8 28
114 0.7 7
115 2.73 27
116 1.3 13
117 1 10
119 1.7 17
125 0.46 5
127 1 10
129 1.5 15
130 0.9 9
131 0.14 1
132 1.9 19
140 2.4 24
141 11.2 112
142 0.12 1
143 6.3 63
144 1.2 12
145 1.3 13
147 0.13 1
149 1.3 13
155 2.5 25
156 1.4 14
157 0.93 9
158 1.2 12
159 64.8 648
160 10.1 101
169 0.2 2
171 1 10
183 1.7 17
185 25.6 256
186 0.31 3
187 2.7 27
199 0.8 8
213 1.8 18
215 0.15 2
229 3 30
230 0.7 7
231 14.2 142
232 0.19 2
233 0.8 8
243 1.2 12
244 3.7 37
245 0.6 6
//