ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012233
RECORD_TITLE: 1-DODECENE; 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$NAME: 1-DODECENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₄
CH$EXACT_MASS: 168.18780
CH$SMILES: CCCCCCCCCCC=C
CH$IUPAC: InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3
CH$LINK: CAS 112-41-4
CH$LINK: INCHIKEY CRSBERNSMYQZNG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5026914

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$SPLASH: splash10-07j2-9400000000-f41caa1b0c6529bd6b2f
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  55 5.59 56
  57 73.06 731
  58 3.28 33
  69 23.23 232
  70 3.11 31
  71 88.96 890
  72 5.07 51
  81 2.23 22
  82 1.32 13
  83 74.77 748
  84 6.64 66
  85 80.81 808
  86 5.35 54
  95 2.16 22
  96 1.17 12
  97 99.99 999
  98 9.02 90
  99 45.73 457
  100 3.65 37
  109 1.38 14
  111 65.64 656
  112 6.73 67
  113 34.03 340
  114 3.02 30
  125 17.97 180
  126 2.58 26
  127 18.56 186
  128 1.88 19
  139 1.42 14
  141 3.66 37
  155 1.96 20
  167 25.85 259
  168 10.1 101
  169 63.21 632
  170 8.3 83
//