ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012222
RECORD_TITLE: 2,4,4-TRIMETHYL-1-PENTENE; 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

CH$NAME: 2,4,4-TRIMETHYL-1-PENTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆
CH$EXACT_MASS: 112.12520
CH$SMILES: CC(=C)CC(C)(C)C
CH$IUPAC: InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3
CH$LINK: CAS 107-39-1
CH$LINK: INCHIKEY FXNDIJDIPNCZQJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4026765

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

PK$SPLASH: splash10-0a4i-9200000000-32f42fa33d39ec0461c5
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  57 99.99 999
  58 5.8 58
  69 6.82 68
  71 1.66 17
  85 2.52 25
  97 25.27 253
  98 1.87 19
  111 13.78 138
  112 3.25 33
  113 16.04 160
  114 1.34 13
//