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
//