MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012138

2,4-DIMETHYLPENTANE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012138
RECORD_TITLE: 2,4-DIMETHYLPENTANE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: 2,4-DIMETHYLPENTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₆
CH$EXACT_MASS: 100.12520
CH$SMILES: CC(C)CC(C)C
CH$IUPAC: InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3
CH$LINK: CAS 108-08-7
CH$LINK: INCHIKEY BZHMBWZPUJHVEE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2059358

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AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

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PK$SPLASH: splash10-052r-9000000000-88398ee8fe997b92421d
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  55 1.1 11
  56 4.2 42
  57 58.32 583
  58 2.8 28
  71 14.63 146
  85 99.99 999
  86 7.53 75
  99 34.56 346
  100 3.37 34
//