ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012209
RECORD_TITLE: CIS-2-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$NAME: CIS-2-HEPTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄
CH$EXACT_MASS: 98.10955
CH$SMILES: CCCCC=CC
CH$IUPAC: InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3+
CH$LINK: CAS 14686-13-6
CH$LINK: INCHIKEY OTTZHAVKAVGASB-HWKANZROSA-N
CH$LINK: COMPTOX DTXSID70881227

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$SPLASH: splash10-0a4i-9000000000-7c78e2e437e39f1ad1ff
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  55 19.79 198
  56 3.01 30
  57 99.99 999
  58 4.27 43
  69 6.44 64
  71 11.84 118
  83 10.59 106
  85 7.95 80
  97 41.34 413
  98 7.6 76
  99 11.43 114
//