ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012211
RECORD_TITLE: CIS-3-HEPTENE; 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$NAME: CIS-3-HEPTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄
CH$EXACT_MASS: 98.10955
CH$SMILES: CCCC=CCC
CH$IUPAC: InChI=1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3/b7-5+
CH$LINK: CAS 14686-14-7
CH$LINK: INCHIKEY WZHKDGJSXCTSCK-FNORWQNLSA-N
CH$LINK: COMPTOX DTXSID40873235

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$SPLASH: splash10-0a4i-9000000000-9fc61f5d3139d03df214
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  55 11.33 113
  56 1.6 16
  57 99.99 999
  58 4.09 41
  69 7.03 70
  71 10.99 110
  83 19.95 200
  84 1.01 10
  85 8.58 86
  97 33.09 331
  98 6.82 68
  99 9.99 100
//