ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005453
RECORD_TITLE: ETHYL (4R*,5R*)-(E)-5-HYDROXY-4-(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$NAME: ETHYL (4R*,5R*)-(E)-5-HYDROXY-4-(TERT-BUTYLDIMETHYLSILYL)OXY-2-HEXENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₈O₄Si
CH$EXACT_MASS: 288.17569
CH$SMILES: CCOC(=O)C=CC(C(C)O)O[Si](C)(C)C(C)(C)C
CH$IUPAC: InChI=1S/C14H28O4Si/c1-8-17-13(16)10-9-12(11(2)15)18-19(6,7)14(3,4)5/h9-12,15H,8H2,1-7H3/b10-9+/t11-,12-/m1/s1
CH$LINK: INCHIKEY CLHAZTQYBPVDIY-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$SPLASH: splash10-01t9-8910000000-aeeb646e62fa1067176b
PK$NUM_PEAK: 101
PK$PEAK: m/z int. rel.int.
  26 1.6 16
  27 3.5 35
  28 37.4 374
  29 0.98 10
  30 0.4 4
  31 4 40
  32 10.4 104
  39 0.47 5
  40 2.5 25
  41 17.2 172
  42 1.5 15
  43 2.18 22
  44 13.3 133
  45 4.7 47
  46 1.3 13
  53 0.12 1
  54 3.7 37
  55 20.1 201
  56 8.5 85
  57 0.45 5
  58 2.5 25
  59 1.5 15
  66 1.1 11
  67 0.37 4
  68 0.6 6
  69 1.7 17
  71 0.8 8
  73 7.62 76
  74 4.7 47
  75 99.99 999
  76 4.4 44
  77 0.27 3
  81 2.3 23
  82 2.2 22
  83 12.8 128
  84 0.77 8
  85 2 20
  94 0.9 9
  95 3.2 32
  97 0.37 4
  99 10.4 104
  103 13.6 136
  105 0.9 9
  110 0.16 2
  111 54.7 547
  112 6.5 65
  113 26.5 265
  114 0.21 2
  115 17.8 178
  116 3.5 35
  117 2.4 24
  121 0.17 2
  125 1.6 16
  127 3.7 37
  129 4.6 46
  130 0.15 2
  131 17.5 175
  132 2.6 26
  133 1.6 16
  140 0.15 2
  141 16.7 167
  142 8.3 83
  143 2.7 27
  145 0.19 2
  149 4.6 46
  155 2.2 22
  156 1.1 11
  157 1.26 13
  158 2.4 24
  159 21.3 213
  160 3.7 37
  161 0.22 2
  167 1 10
  169 0.9 9
  171 5.2 52
  172 0.06 1
  173 1.5 15
  183 1.7 17
  185 27.6 276
  186 0.47 5
  187 23.7 237
  188 2.7 27
  189 1.7 17
  198 2.28 23
  199 9.7 97
  200 3.4 34
  201 1.2 12
  205 0.35 4
  213 4.5 45
  214 0.5 5
  215 6.3 63
  216 0.19 2
  217 0.4 4
  227 1.5 15
  229 2.1 21
  231 1.36 14
  232 2.5 25
  243 7.7 77
  244 24.3 243
  245 0.43 4
  246 1.7 17
//

MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005453

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