ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012236
RECORD_TITLE: 1-HEXADECENE; 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$NAME: 1-HEXADECENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₂
CH$EXACT_MASS: 224.25040
CH$SMILES: CCCCCCCCCCCCCCC=C
CH$IUPAC: InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3
CH$LINK: CAS 629-73-2
CH$LINK: INCHIKEY GQEZCXVZFLOKMC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1027269

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$SPLASH: splash10-00ba-9850000000-34b41fca7732e951547a
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  55 2.48 25
  57 38.51 385
  58 1.59 16
  69 13.46 135
  70 2.21 22
  71 51.19 512
  72 2.83 28
  82 1.57 16
  83 48.4 484
  84 4.24 42
  85 42.86 429
  86 2.78 28
  95 2.3 23
  97 91.82 918
  98 7.83 78
  99 35.77 358
  100 2.77 28
  111 55.49 555
  112 5.6 56
  113 32.71 327
  114 2.8 28
  125 37.68 377
  126 4.1 41
  127 31.63 316
  128 3.3 33
  139 26.97 270
  140 3.4 34
  141 27.85 279
  142 3.17 32
  153 19 190
  154 2.56 26
  155 18.84 188
  156 2.16 22
  167 12.09 121
  168 1.77 18
  169 14.39 144
  181 4.54 45
  183 9.07 91
  197 2.66 27
  211 1.69 17
  223 71.12 711
  224 19.9 199
  225 99.99 999
  226 17.13 171
  253 3.23 32
//