ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012212
RECORD_TITLE: TRANS-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$NAME: TRANS-3-HEPTENE
CH$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$LINK: CAS 7642-10-6
CH$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$SPLASH: splash10-0a4j-9000000000-66971f6c5e3ff0602d69
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  55 11.17 112
  56 2.87 29
  57 99.99 999
  58 4.32 43
  69 8 80
  71 10.78 108
  83 22.5 225
  84 2.08 21
  85 7.06 71
  97 48.09 481
  98 8.6 86
  99 12.8 128
//