ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012202
RECORD_TITLE: CIS-3-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$NAME: CIS-3-HEXENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂
CH$EXACT_MASS: 84.09390
CH$SMILES: CCC=CCC
CH$IUPAC: InChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5+
CH$LINK: CAS 13269-52-8
CH$LINK: INCHIKEY ZQDPJFUHLCOCRG-AATRIKPKSA-N
CH$LINK: COMPTOX DTXSID70891265

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$SPLASH: splash10-0019-9000000000-9fd13b019bf1c7e9143b
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  55 5.64 56
  56 1.6 16
  57 41.87 419
  58 1.87 19
  69 48.37 484
  70 3.2 32
  71 33.42 334
  72 1.87 19
  83 66.48 665
  84 16.83 168
  85 99.99 999
  86 6.4 64
  97 1.62 16
//