ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006030
RECORD_TITLE: HEXAMETHYLETHANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: HEXAMETHYLETHANE
CH$NAME: 2,2,3,3-TETRAMETHYLBUTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₈
CH$EXACT_MASS: 114.14085
CH$SMILES: CC(C)(C)C(C)(C)C
CH$IUPAC: InChI=1S/C8H18/c1-7(2,3)8(4,5)6/h1-6H3
CH$LINK: INCHIKEY OMMLUKLXGSRPHK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9073204

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9000000000-26fe30e40698e8d97c03
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  28 1 10
  29 2.6 26
  41 6.3 63
  43 0.89 9
  44 0.5 5
  55 1 10
  56 41.8 418
  57 99.99 999
  58 5.1 51
  99 10.5 105
  100 1.1 11
//