ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012225
RECORD_TITLE: TRANS-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$NAME: TRANS-2-NONENE
CH$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$LINK: CAS 6434-77-1
CH$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$SPLASH: splash10-05y0-9200000000-d0206d3e3dc8937cde34
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  55 25.23 252
  56 2.79 28
  57 82.86 829
  58 4.23 42
  67 1.32 13
  69 96.95 970
  70 7.92 79
  71 99.99 999
  72 5.51 55
  83 38.52 385
  84 5.71 57
  85 67.37 674
  86 4.39 44
  97 10.4 104
  98 1.58 16
  99 4.06 41
  111 8.52 85
  112 1.01 10
  113 2.19 22
  125 73.12 731
  126 16.99 170
  127 39.38 394
  128 4.02 40
//