ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007258
RECORD_TITLE: (3S,4R,5S)-4-(TERT-BUTYLDIMETHYLSILYLOXY)-3,5-DIMETHYL-1-HEPTYNE; 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$NAME: (3S,4R,5S)-4-(TERT-BUTYLDIMETHYLSILYLOXY)-3,5-DIMETHYL-1-HEPTYNE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₃₀OSi
CH$EXACT_MASS: 254.20659
CH$SMILES: CCC([H])(C)C([H])(C([H])(C)C#C)O[Si](C)(C)C(C)(C)C
CH$IUPAC: InChI=1S/C15H30OSi/c1-10-12(3)14(13(4)11-2)16-17(8,9)15(5,6)7/h1,12-14H,11H2,2-9H3/t12-,13-,14-/m0/s1
CH$LINK: INCHIKEY KGBRESJDKNPUOY-IHRRRGAJSA-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$SPLASH: splash10-0006-9710000000-80210fdd8c519cbe74ee
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  39 2.6 26
  40 2.6 26
  41 6.1 61
  42 0.46 5
  43 97 970
  44 2.8 28
  55 2.8 28
  56 0.33 3
  57 4.4 44
  58 36.4 364
  59 4.4 44
  69 0.49 5
  73 92.9 929
  74 8.2 82
  75 67.7 677
  76 0.36 4
  77 2.6 26
  83 11.5 115
  84 2.3 23
  85 0.23 2
  89 5.4 54
  99 3.1 31
  111 29.3 293
  112 0.38 4
  113 3.6 36
  115 57.6 576
  116 1.8 18
  121 0.41 4
  123 4.9 49
  125 1.8 18
  127 2 20
  139 0.28 3
  141 99.99 999
  142 12.5 125
  143 12 120
  145 1.92 19
  146 2 20
  153 1.8 18
  155 4.4 44
  159 0.31 3
  183 2.8 28
  197 37.4 374
  198 5.9 59
  199 0.2 2
  200 2 20
  201 58.6 586
  202 8.4 84
  203 2.6 26
//