ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001971
RECORD_TITLE: 2,2,7,7-TETRAMETHYL-4-(TRIMETHYLSTANNYLMETHYL)CYCLOHEPT-4-ENONE; 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$NAME: 2,2,7,7-TETRAMETHYL-4-(TRIMETHYLSTANNYLMETHYL)CYCLOHEPT-4-ENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₈OSn
CH$EXACT_MASS: 344.11621
CH$SMILES: O=C(C(C)(C)1)C(C)(C)CC(=CC1)C[Sn](C)(C)C
CH$IUPAC: InChI=1S/C12H19O.3CH3.Sn/c1-9-6-7-11(2,3)10(13)12(4,5)8-9;;;;/h6H,1,7-8H2,2-5H3;3*1H3;
CH$LINK: INCHIKEY HLYWPYLMMCZNEC-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$SPLASH: splash10-03xr-1902000000-1bd1d8db3973c830c8fb
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  41 11.43 114
  55 6.04 60
  67 6.93 69
  79 9.83 98
  93 6.01 60
  95 4.58 46
  107 8.08 81
  133 5.04 50
  135 8.41 84
  150 5.24 52
  161 45.45 455
  162 25.57 256
  163 67.07 671
  164 27.94 279
  165 99.99 999
  167 13.84 138
  169 18.21 182
  325 6.67 67
  326 4.15 42
  327 11.11 111
  328 5.88 59
  329 16.3 163
  340 9.66 97
  341 6.45 65
  342 16.5 165
  343 8.69 87
  344 21.94 219
//