ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012241
RECORD_TITLE: 1-DOCOSENE; 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$NAME: 1-DOCOSENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₄₄
CH$EXACT_MASS: 308.34430
CH$SMILES: CCCCCCCCCCCCCCCCCCCCC=C
CH$IUPAC: InChI=1S/C22H44/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-22H2,2H3
CH$LINK: CAS 1599-67-3
CH$LINK: INCHIKEY SPURMHFLEKVAAS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5029219

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$SPLASH: splash10-0a4i-0219000000-faf1f519a2a21d904383
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  57 1.31 13
  69 1.09 11
  71 2.37 24
  83 3.97 40
  85 2.32 23
  97 10.89 109
  99 2.39 24
  111 7.66 77
  113 2.75 28
  125 5.85 59
  127 3.15 32
  139 4.92 49
  141 3.62 36
  153 4.48 45
  155 4.11 41
  167 4.07 41
  169 4.56 46
  181 3.75 38
  183 4.85 49
  195 3.62 36
  197 5.4 54
  209 3.51 35
  211 6.2 62
  212 1.05 11
  223 3.28 33
  225 5.74 57
  237 2.8 28
  239 4.07 41
  251 2.23 22
  253 3.14 31
  265 1.62 16
  267 2.21 22
  279 1.18 12
  293 3.89 39
  307 99.99 999
  308 28.82 288
  309 76.53 765
  310 17.19 172
  311 1.9 19
  337 5.29 53
  338 1.38 14
  349 1.07 11
//