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MassBank Record: JP006022

HEXAMETHYLETHANE; EI-B; MS

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

ACCESSION: JP006022
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-TERTMETHYLBUTANE
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9000000000-dcfa906988445e9870c6
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  15 0.8 8
  27 3.9 39
  28 3.4 34
  29 1.09 11
  32 1 10
  39 5.1 51
  40 1.1 11
  41 2.15 22
  42 1.3 13
  43 14.5 145
  44 0.7 7
  51 0.06 1
  53 1.2 12
  55 3.3 33
  56 35.3 353
  57 99.99 999
  58 4.6 46
  67 0.6 6
  69 1.6 16
  71 0.06 1
  83 1 10
  99 7.9 79
  100 0.8 8
//

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