ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012203
RECORD_TITLE: TRANS-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$NAME: TRANS-3-HEXENE
CH$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$LINK: CAS 7642-09-3
CH$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$SPLASH: splash10-001r-9000000000-a158b7d3153313515526
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  55 4.51 45
  57 36.25 363
  58 1.48 15
  69 47.24 472
  70 1.43 14
  71 28.68 287
  72 1.54 15
  83 89.97 900
  84 18.37 184
  85 99.99 999
  86 6.38 64
  97 1.73 17
//