MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012148

2,3,4-TRIMETHYLPENTANE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012148
RECORD_TITLE: 2,3,4-TRIMETHYLPENTANE; 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$NAME: 2,3,4-TRIMETHYLPENTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₈
CH$EXACT_MASS: 114.14085
CH$SMILES: CC(C)C(C)C(C)C
CH$IUPAC: InChI=1S/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3
CH$LINK: CAS 565-75-3
CH$LINK: INCHIKEY RLPGDEORIPLBNF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6060343

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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$SPLASH: splash10-01vk-9300000000-0d0ab1a1a4726f8b0f69
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  53 1.22 12
  55 2.68 27
  56 1.64 16
  57 22.02 220
  58 18.58 186
  70 22.71 227
  71 73.85 739
  72 4.18 42
  99 99.99 999
  100 7.79 78
  113 92.05 921
  114 9.23 92
//