MassBank Record: JP002430



 METHYL (3R,6S)-3-(TERT-BUTYLDIMETHYLSILOXY)-7-HYDROXY-6-METHYLHEPTANOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //