MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005458
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005458
RECORD_TITLE: ETHYL (4R*,5R*)-(E)-5-(CARBAMOYL)OXY-4-(TRIETHYLSILYL)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$NAME: ETHYL (4R*,5R*)-(E)-5-(CARBAMOYL)OXY-4-(TRIETHYLSILYL)OXY-2-HEXENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H29NO5Si
CH$EXACT_MASS: 331.18150
CH$SMILES: CCOC(=O)C=CC(C(C)OC(N)=O)O[Si](CC)(CC)CC
CH$IUPAC: InChI=1S/C15H29NO5Si/c1-6-19-14(17)11-10-13(12(5)20-15(16)18)21-22(7-2,8-3)9-4/h10-13H,6-9H2,1-5H3,(H2,16,18)/b11-10+/t12-,13-/m1/s1
CH$LINK: INCHIKEY
QDRUNCUKWPTKDV-HRFIDBLHSA-N
AC$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 14 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0002-0950000000-f68d36a2d237cb4a0ac0
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
43 2.5 25
74 2.3 23
75 2.5 25
77 0.47 5
84 0.9 9
87 3.9 39
94 0.9 9
100 0.11 1
101 1 10
102 2.1 21
103 1.2 12
111 0.52 5
112 1.2 12
115 4.1 41
130 1.3 13
138 0.1 1
142 1.6 16
146 99.99 999
147 4.7 47
148 0.26 3
156 1.2 12
157 1.1 11
161 1.1 11
169 0.11 1
185 1.1 11
187 1.7 17
198 3.7 37
199 0.25 3
203 1 10
205 3.1 31
213 4.8 48
214 0.07 1
215 2.2 22
216 0.7 7
217 3.1 31
218 0.07 1
220 5.3 53
221 1.5 15
241 9.5 95
242 0.22 2
243 2.4 24
244 22.8 228
245 8.9 89
246 0.32 3
256 2.6 26
259 8.9 89
260 1.8 18
270 0.64 6
271 0.8 8
302 2 20
303 0.5 5
//