ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012221
RECORD_TITLE: 2-ETHYL-1-HEXENE; 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$NAME: 2-ETHYL-1-HEXENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆
CH$EXACT_MASS: 112.12520
CH$SMILES: CCCCC(=C)CC
CH$IUPAC: InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h3-7H2,1-2H3
CH$LINK: CAS 1632-16-2
CH$LINK: INCHIKEY XTVRLCUJHGUXCP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7051769

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$SPLASH: splash10-08mi-9500000000-9d563d093940b95396dd
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  55 13.22 132
  57 76.58 766
  58 3.3 33
  59 2.48 25
  69 23.12 231
  70 8.4 84
  71 91.39 914
  72 4.99 50
  83 8.98 90
  84 1.07 11
  85 15.93 159
  86 1.07 11
  97 25.91 259
  98 2.03 20
  99 4.48 45
  111 58.82 588
  112 13.73 137
  113 99.99 999
  114 8.5 85
//