MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008569

2-METHYLPENTANE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008569
RECORD_TITLE: 2-METHYLPENTANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

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CH$NAME: 2-METHYLPENTANE
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9000000000-b52721b6aaea54e0c25b
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  15 1.21 12
  27 16.72 167
  28 1.4 14
  29 11.75 118
  38 1.05 11
  39 16 160
  40 2.6 26
  41 34.02 340
  42 53.4 534
  43 99.99 999
  44 3.41 34
  53 1.64 16
  55 7.64 76
  56 6.12 61
  57 14.36 144
  70 11.01 110
  71 44.23 442
  72 2.45 25
  85 1.12 11
  86 5.82 58
//