MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012130

2-METHYLBUTANE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012130
RECORD_TITLE: 2-METHYLBUTANE; 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$NAME: 2-METHYLBUTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₂
CH$EXACT_MASS: 72.09390
CH$SMILES: CCC(C)C
CH$IUPAC: InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3
CH$LINK: CAS 78-78-4
CH$LINK: COMPTOX DTXSID8025468
CH$LINK: INCHIKEY QWTDNUCVQCZILF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:6556

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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$SPLASH: splash10-05fr-9000000000-be3bb93a5114b15219a8
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  56 1.73 17
  57 93.46 935
  58 4.02 40
  71 99.99 999
  72 9.84 98
//