MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001850

2-METHYL PENTANE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001850
RECORD_TITLE: 2-METHYL PENTANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

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CH$NAME: 2-METHYL PENTANE
CH$NAME: ISOHEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄
CH$EXACT_MASS: 86.10955
CH$SMILES: CCCC(C)C
CH$IUPAC: InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3
CH$LINK: INCHIKEY AFABGHUZZDYHJO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4029143

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AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0006-9000000000-7bc39e385e8a00c54e56
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  27 12.12 121
  28 2.73 27
  29 10.72 107
  39 10.23 102
  41 34.55 346
  42 47.3 473
  43 99.99 999
  44 2.52 25
  55 4.91 49
  56 3.85 39
  57 10.93 109
  70 4.41 44
  71 20.25 203
  86 1.26 13
//