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
//