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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005459

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

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005459
RECORD_TITLE: ETHYL (4R*,5R*)-(E)-4-(2'-TETRAHYDROPYRANYL)OXY-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$NAME: ETHYL (4R*,5R*)-(E)-4-(2'-TETRAHYDROPYRANYL)OXY-5-(TERT-BUTYLDIMETHYLSILYL)OXY-2-HEXENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H36O5Si
CH$EXACT_MASS: 372.23320
CH$SMILES: CCOC(=O)C=CC(OC(C1)OCCC1)C(C)O[Si](C)(C)C(C)(C)C
CH$IUPAC: InChI=1S/C19H36O5Si/c1-8-21-17(20)13-12-16(23-18-11-9-10-14-22-18)15(2)24-25(6,7)19(3,4)5/h12-13,15-16,18H,8-11,14H2,1-7H3/b13-12+/t15-,16-,18?/m1/s1
CH$LINK: INCHIKEY KPCSBWXXYRWZKK-KVYRVHHJSA-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 12 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001i-1790000000-3392129d10c20b36bb49
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  85 24.5 245
  130 99.8 998
  131 1.2 12
  141 0.12 1
  149 6 60
  157 2.3 23
  159 23.4 234
  160 1.37 14
  161 8.5 85
  169 1.1 11
  185 7.9 79
  186 0.21 2
  187 0.4 4
  212 0.5 5
  213 3.1 31
  214 0.99 10
  215 0.6 6
  231 99.99 999
  232 5.4 54
  233 0.05 1
  241 1.1 11
  244 52.7 527
  245 20.8 208
  246 0.35 4
  269 0.6 6
  270 0.7 7
  271 1.9 19
  273 0.05 1
  279 4.2 42
  315 2.2 22
  329 6.5 65
  330 2 20
//

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