MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002430
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002430
RECORD_TITLE: METHYL (3R,6S)-3-(TERT-BUTYLDIMETHYLSILOXY)-7-HYDROXY-6-METHYLHEPTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: METHYL (3R,6S)-3-(TERT-BUTYLDIMETHYLSILOXY)-7-HYDROXY-6-METHYLHEPTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H32O4Si
CH$EXACT_MASS: 304.20699
CH$SMILES: COC(=O)CC([H])(CCC([H])(C)CO)O[Si](C)(C)C(C)(C)C
CH$IUPAC: InChI=1S/C15H32O4Si/c1-12(11-16)8-9-13(10-14(17)18-5)19-20(6,7)15(2,3)4/h12-13,16H,8-11H2,1-7H3/t12-,13+/m1/s1
CH$LINK: INCHIKEY
VROGZUFDXZTPLH-OLZOCXBDSA-N
AC$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 13.5 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0002-5790000000-5eb9268f664b5d7f3b63
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
55 2.1 21
75 14.9 149
81 26.1 261
89 0.29 3
95 80.4 804
96 10.4 104
98 3.7 37
99 2.4 24
105 8.7 87
111 2.5 25
115 2.9 29
123 5.87 59
124 3.7 37
141 11.2 112
155 93.5 935
156 1.04 10
171 11.2 112
173 24 240
185 9.9 99
187 0.21 2
197 25.3 253
198 2.9 29
205 4.1 41
215 4.78 48
216 5.4 54
217 12.8 128
218 2.9 29
220 0.87 9
229 87 870
230 6.2 62
231 3.7 37
247 99.99 999
248 17.8 178
249 2.9 29
//
system version 2.2.8-SNAPSHOT