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MassBank Record: JP012238

1-OCTADECENE; CI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP012238
RECORD_TITLE: 1-OCTADECENE; 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$NAME: 1-OCTADECENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H36
CH$EXACT_MASS: 252.28170
CH$SMILES: CCCCCCCCCCCCCCCCC=C
CH$IUPAC: InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3
CH$LINK: CAS 112-88-9
CH$LINK: INCHIKEY CCCMONHAUSKTEQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3026932

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$SPLASH: splash10-0udi-7890000000-f790ae7a7797f059ab46
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  57 18.46 185
  69 8.96 90
  71 26.06 261
  83 31.95 320
  84 2.75 28
  85 18.34 183
  97 67.58 676
  98 5.87 59
  99 21.37 214
  111 38.55 386
  112 3.8 38
  113 19.34 193
  125 26.03 260
  126 2.83 28
  127 18.12 181
  139 19.31 193
  140 2.42 24
  141 17.43 174
  153 15.5 155
  155 18.34 183
  156 2.2 22
  167 12.64 126
  169 16.49 165
  170 2.12 21
  181 9.34 93
  183 11.3 113
  195 6.38 64
  197 9.09 91
  209 2.93 29
  211 6.24 62
  237 2.56 26
  251 99.99 999
  252 26.85 269
  253 90.74 907
  254 17.27 173
  281 5.92 59
//

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