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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002508

METHYL 3,4-EPOXY-4-TRIMETHYLSILYLMETHYLCYCLOHEXYL KETONE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002508
RECORD_TITLE: METHYL 3,4-EPOXY-4-TRIMETHYLSILYLMETHYLCYCLOHEXYL KETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 3,4-EPOXY-4-TRIMETHYLSILYLMETHYLCYCLOHEXYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22O2Si
CH$EXACT_MASS: 226.13891
CH$SMILES: CC(=O)C(C2)CC(O1)C(C2)(C[Si](C)(C)C)1
CH$IUPAC: InChI=1S/C12H22O2Si/c1-9(13)10-5-6-12(8-15(2,3)4)11(7-10)14-12/h10-11H,5-8H2,1-4H3
CH$LINK: INCHIKEY SMCFBVDPIWMNCF-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-D-3000
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00fu-9300000000-7e97e630ccf7ef8e6f0b
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  58 9.98 100
  59 6.57 66
  61 4.72 47
  71 5.17 52
  73 99.99 999
  74 9.07 91
  75 58.45 585
  76 4.18 42
  77 9.78 98
  79 4.18 42
  91 14.84 148
  92 11.5 115
  93 33.4 334
  94 6.52 65
  117 4.42 44
  118 3.14 31
  119 10.13 101
  121 7.75 78
  136 2.67 27
  141 4.32 43
  143 32.59 326
  144 4.54 45
  149 4.04 40
  165 3.15 32
  167 5.38 54
  183 22.74 227
  184 3.74 37
  193 3.25 33
  211 5.57 56
  226 3 30
//

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