MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005324

2,2,4-TRIMETHYLPENTANE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005324
RECORD_TITLE: 2,2,4-TRIMETHYLPENTANE; 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

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CH$NAME: 2,2,4-TRIMETHYLPENTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₈
CH$EXACT_MASS: 114.14085
CH$SMILES: CC(C)CC(C)(C)C
CH$IUPAC: InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
CH$LINK: INCHIKEY NHTMVDHEPJAVLT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7024370

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0a4i-9000000000-e5c24987d83bc5fa562f
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  27 5.38 54
  29 9.61 96
  39 5.12 51
  40 1.25 13
  41 20.64 206
  42 1.25 13
  43 18.92 189
  55 3.4 34
  56 35.9 359
  57 99.99 999
  58 4.54 45
  99 5.86 59
//