ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012199
RECORD_TITLE: 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$NAME: 1-HEXENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂
CH$EXACT_MASS: 84.09390
CH$SMILES: CCCCC=C
CH$IUPAC: InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3
CH$LINK: CAS 592-41-6
CH$LINK: INCHIKEY LIKMAJRDDDTEIG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4025402

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$SPLASH: splash10-053i-9000000000-b205c8e2ff87d5e22729
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  55 11.29 113
  56 3.69 37
  57 44.18 442
  58 1.93 19
  69 34.65 347
  70 2.59 26
  71 34.9 349
  72 1.91 19
  83 68.33 683
  84 13.93 139
  85 99.99 999
  86 6.51 65
  97 1.71 17
//