ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012228
RECORD_TITLE: TRANS-4-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$NAME: TRANS-4-NONENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈
CH$EXACT_MASS: 126.14085
CH$SMILES: CCCCC=CCCC
CH$IUPAC: InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h7,9H,3-6,8H2,1-2H3/b9-7+
CH$LINK: CAS 10405-84-2
CH$LINK: INCHIKEY KPADFPAILITQBG-VQHVLOKHSA-N
CH$LINK: COMPTOX DTXSID60873999

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$SPLASH: splash10-05di-9300000000-2b90259bc92d60ad1ca6
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  55 12.25 123
  56 2.18 22
  57 75.73 757
  58 2.95 30
  67 1.01 10
  69 73.36 734
  70 6.57 66
  71 99.99 999
  72 5.2 52
  83 54.38 544
  84 5.9 59
  85 69.89 699
  86 4.37 44
  97 21.67 217
  98 2.06 21
  99 5.07 51
  111 11.93 119
  113 2.73 27
  125 90.78 908
  126 19.87 199
  127 40.28 403
  128 3.64 36
//