ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012240
RECORD_TITLE: 1-EICOSENE; 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$NAME: 1-EICOSENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₄₀
CH$EXACT_MASS: 280.31300
CH$SMILES: CCCCCCCCCCCCCCCCCCC=C
CH$IUPAC: InChI=1S/C20H40/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3H,1,4-20H2,2H3
CH$LINK: CAS 3452-07-1
CH$LINK: INCHIKEY VAMFXQBUQXONLZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1029257

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$SPLASH: splash10-003r-3790000000-a242d8ce9c77d593a959
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  57 4 40
  69 3.21 32
  71 8.73 87
  83 16.57 166
  85 5.83 58
  97 40.98 410
  98 3.43 34
  99 10.77 108
  111 26.97 270
  112 3 30
  113 13.33 133
  125 20.56 206
  126 2.6 26
  127 13.01 130
  139 16.01 160
  140 2.03 20
  141 14.09 141
  153 14.33 143
  154 2.1 21
  155 14.01 140
  167 11.5 115
  169 14.62 146
  170 2.11 21
  181 10.65 107
  183 16.13 161
  184 2.28 23
  195 8.34 83
  197 13.48 135
  198 2.19 22
  209 6.33 63
  211 9.11 91
  223 4.3 43
  225 6.99 70
  237 2.42 24
  239 4.51 45
  265 3.79 38
  279 99.99 999
  280 26.9 269
  281 73.95 740
  282 15.25 153
  309 6.07 61
//