ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007259
RECORD_TITLE: (3S,4R,5S)-4-(TERT-BUTYLDIMETHYLSILYLOXY)-1,1-DIBROMO-3,5-DIMETHYL-1-HEPTENE; 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$NAME: (3S,4R,5S)-4-(TERT-BUTYLDIMETHYLSILYLOXY)-1,1-DIBROMO-3,5-DIMETHYL-1-HEPTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₃₀Br₂OSi
CH$EXACT_MASS: 412.04327
CH$SMILES: CCC([H])(C)C([H])(O[Si](C)(C)C(C)(C)C)C([H])(C)C=C(Br)Br
CH$IUPAC: InChI=1S/C15H30Br2OSi/c1-9-11(2)14(12(3)10-13(16)17)18-19(7,8)15(4,5)6/h10-12,14H,9H2,1-8H3/t11-,12-,14+/m0/s1
CH$LINK: INCHIKEY RVMWJIWHPXCBGC-SGMGOOAPSA-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$SPLASH: splash10-0udi-2190000000-3b397b8a20d9350291fa
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  41 2.7 27
  43 3.9 39
  53 8 80
  55 0.18 2
  57 3.7 37
  58 1.8 18
  69 6.6 66
  73 5.04 50
  74 4.1 41
  75 11.1 111
  83 2.1 21
  87 0.29 3
  89 3.1 31
  109 2.5 25
  115 16.8 168
  116 0.18 2
  137 3.7 37
  139 3.9 39
  143 1.8 18
  145 1.52 15
  146 2.1 21
  161 2.1 21
  163 1.8 18
  189 1.05 11
  191 7.8 78
  201 99.99 999
  202 17.6 176
  203 1.01 10
  205 5.8 58
  223 8 80
  225 8 80
  269 2.8 28
  270 3.5 35
  271 56.8 568
  272 6.2 62
  273 2.88 29
  274 3.9 39
  355 7.4 74
  356 1.2 12
  357 1.4 14
  358 2.5 25
  359 7.6 76
  360 1.4 14
//