ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011409
RECORD_TITLE: 2,2-DIMETHYL-4-(TRIMETHYLSILYL)METHYL-5-HEXEN-3-ONE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, INSTITUTE FOR CHEMICAL REACTION SCIENCE TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2,2-DIMETHYL-4-(TRIMETHYLSILYL)METHYL-5-HEXEN-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₄OSi
CH$EXACT_MASS: 212.15964
CH$SMILES: C=CC(C[Si](C)(C)C)C(=O)C(C)(C)C
CH$IUPAC: InChI=1S/C12H24OSi/c1-8-10(9-14(5,6)7)11(13)12(2,3)4/h8,10H,1,9H2,2-7H3
CH$LINK: INCHIKEY INDDZOADHRZSTG-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-DX-300
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

PK$SPLASH: splash10-0c0d-4940000000-dd0f2b6624a2ddf3ca2b
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  55 6.8 68
  57 98.7 987
  58 4.1 41
  67 2.3 23
  69 4 40
  73 36.2 362
  74 3.1 31
  75 4.6 46
  81 6.2 62
  83 3.4 34
  85 36.4 364
  86 2.4 24
  91 5.3 53
  95 3.6 36
  123 40.9 409
  124 4.5 45
  127 8.7 87
  131 10.2 102
  141 14.2 142
  143 89.7 897
  144 14.1 141
  145 5.1 51
  155 15.5 155
  156 2.7 27
  157 36.5 365
  158 12.5 125
  159 13.5 135
  160 2.1 21
  169 3 30
  185 9.7 97
  197 99.99 999
  198 20.8 208
  199 6.9 69
  212 2.2 22
  213 93.6 936
  214 19.9 199
  215 5.9 59
  229 2.1 21
  241 9.1 91
  253 5.1 51
  271 2.8 28
  285 32.6 326
  286 9.2 92
  287 4.3 43
//