ACCESSION: JP012223
RECORD_TITLE: 1-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$NAME: 1-NONENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈
CH$EXACT_MASS: 126.14085
CH$SMILES: CCCCCCCC=C
CH$IUPAC: InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3
CH$LINK: CAS 124-11-8
CH$LINK: INCHIKEY JRZJOMJEPLMPRA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2059562

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$SPLASH: splash10-0avr-9100000000-fb26f86cbef6e79675bb
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  55 16.39 164
  56 2.92 29
  57 84.54 845
  58 3.62 36
  67 1.02 10
  69 84.18 842
  70 7.04 70
  71 99.99 999
  72 5.27 53
  83 42.63 426
  84 5.84 58
  85 68.54 685
  86 4.1 41
  97 8.25 83
  98 1.28 13
  99 3.96 40
  111 4.94 49
  113 1.82 18
  125 23.69 237
  126 7.43 74
  127 22.51 225
  128 1.99 20
//