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
//

MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005460

**ETHYL (4R,5R)-(E)-4-HYDROXY-5-(TERT-BUTYLDIMETHYLSILYL)OXY-2-HEXENOATE; EI-B; MS**