ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012224
RECORD_TITLE: CIS-2-NONENE; 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$NAME: CIS-2-NONENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈
CH$EXACT_MASS: 126.14085
CH$SMILES: CCCCCCC=CC
CH$IUPAC: InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3,5H,4,6-9H2,1-2H3/b5-3+
CH$LINK: CAS 6434-78-2
CH$LINK: INCHIKEY IICQZTQZQSBHBY-HWKANZROSA-N
CH$LINK: COMPTOX DTXSID60883134

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$SPLASH: splash10-0ay0-9200000000-6260b53891f2d9497443
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  55 20.12 201
  56 2.68 27
  57 82.05 821
  58 3.21 32
  69 89.3 893
  70 7.02 70
  71 99.99 999
  72 5.04 50
  83 35.79 358
  84 5.1 51
  85 69.01 690
  86 4.21 42
  97 9.52 95
  98 1.43 14
  99 4.42 44
  111 6.93 69
  113 2.22 22
  125 44.48 445
  126 12.86 129
  127 32.16 322
  128 3.23 32
//