ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012201
RECORD_TITLE: TRANS-2-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$NAME: TRANS-2-HEXENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂
CH$EXACT_MASS: 84.09390
CH$SMILES: CCCC=CC
CH$IUPAC: InChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+
CH$LINK: CAS 7688-21-3
CH$LINK: INCHIKEY RYPKRALMXUUNKS-HWKANZROSA-N
CH$LINK: COMPTOX DTXSID90881224

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$SPLASH: splash10-001r-9000000000-bdcd53f58883c17d92ba
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  55 16.43 164
  56 1.88 19
  57 38.67 387
  58 1.8 18
  69 32.7 327
  70 2.18 22
  71 26.44 264
  72 1.44 14
  83 99.99 999
  84 19.14 191
  85 99.9 999
  86 6.35 64
//