MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005459
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
//