MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005454
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005454
RECORD_TITLE: METHYL (4S,5S)-(Z)-5-(CARBAMOYL)OXY-4-(TRIETHYLSILYL)OXY-3-METHYL-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$NAME: METHYL (4S,5S)-(Z)-5-(CARBAMOYL)OXY-4-(TRIETHYLSILYL)OXY-3-METHYL-2-HEXENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H29NO5Si
CH$EXACT_MASS: 331.18150
CH$SMILES: COC(=O)C=C(C)C([H])(O[Si](CC)(CC)CC)C([H])(C)OC(N)=O
CH$IUPAC: InChI=1S/C15H29NO5Si/c1-7-22(8-2,9-3)21-14(12(5)20-15(16)18)11(4)10-13(17)19-6/h10,12,14H,7-9H2,1-6H3,(H2,16,18)/b11-10-/t12-,14-/m1/s1
CH$LINK: INCHIKEY
CBVOENHYXRKIRF-XVGBTMSLSA-N
AC$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: splash10-0f6x-0393000000-66dc0d37f27ee8bfa037
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
69 1 10
85 1 10
102 1.3 13
115 0.38 4
125 1.7 17
139 63.7 637
140 5.4 54
146 6.86 69
147 24 240
148 4.5 45
159 2.1 21
183 0.11 1
192 1 10
209 2.6 26
210 0.3 3
211 0.15 2
212 5.3 53
213 3.4 34
214 1.3 13
215 0.14 1
223 1 10
226 0.7 7
227 8.3 83
228 0.54 5
229 0.7 7
230 0.7 7
237 1.2 12
241 99.99 999
242 20.9 209
243 50.8 508
244 35.6 356
245 1.69 17
246 4.3 43
255 12.9 129
256 1.7 17
257 0.47 5
258 1.9 19
259 4.2 42
260 0.9 9
269 0.09 1
270 13.2 132
271 3.6 36
272 1 10
273 0.04 0
274 0.3 3
284 0.8 8
286 1.1 11
287 0.08 1
288 0.6 6
302 86.2 862
303 21.2 212
304 0.49 5
316 2.7 27
317 0.9 9
318 0.5 5
332 0.18 2
333 0.2 2
//
system version 2.2.8-SNAPSHOT