ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007257
RECORD_TITLE: (5S,6R,7S)-6-(TERT-BUTYLDIMETHYLSILYLOXY)-5,7-DIMETHYLNON-3-YN-2-ONE; 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$NAME: (5S,6R,7S)-6-(TERT-BUTYLDIMETHYLSILYLOXY)-5,7-DIMETHYLNON-3-YN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₂O₂Si
CH$EXACT_MASS: 296.21716
CH$SMILES: CC(=O)C#CC([H])(C)C([H])(O[Si](C)(C)C(C)(C)C)C([H])(C)CC
CH$IUPAC: InChI=1S/C17H32O2Si/c1-10-13(2)16(14(3)11-12-15(4)18)19-20(8,9)17(5,6)7/h13-14,16H,10H2,1-9H3/t13-,14-,16+/m0/s1
CH$LINK: INCHIKEY ANMQIGDCTZETJU-OFQRWUPVSA-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 25 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0udi-6940000000-ce56f95d5a71fe8d5f9b
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  41 3.9 39
  43 11.3 113
  56 2 20
  57 0.21 2
  58 4 40
  69 2.7 27
  73 47.9 479
  74 0.32 3
  75 22.7 227
  76 2 20
  89 5.4 54
  115 0.82 8
  141 2.3 23
  143 2.1 21
  145 8.8 88
  153 99.99 999
  154 13.4 134
  155 4.4 44
  183 10.8 108
  187 0.21 2
  195 4 40
  201 44.8 448
  202 6.9 69
  203 0.19 2
  210 1.9 19
  231 2.1 21
  239 18.6 186
  240 0.41 4
  241 1.2 12
//