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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012301

DECYLBENZENE; CI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012301
RECORD_TITLE: DECYLBENZENE; 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$NAME: DECYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H26
CH$EXACT_MASS: 218.20345
CH$SMILES: CCCCCCCCCCc(c1)cccc1
CH$IUPAC: InChI=1S/C16H26/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h9,11-12,14-15H,2-8,10,13H2,1H3
CH$LINK: CAS 104-72-3
CH$LINK: INCHIKEY UZILCZKGXMQEQR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5051529

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$SPLASH: splash10-014i-1190000000-6ad9c826b162da87e1ff
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  57 9.5 95
  71 13.92 139
  85 14.43 144
  91 14.67 147
  92 4.25 43
  99 6.25 63
  105 8.02 80
  107 1.01 10
  119 6.91 69
  133 6.27 63
  141 12.44 124
  142 1.31 13
  147 5.07 51
  161 3.65 37
  175 2.47 25
  189 1.88 19
  203 6.82 68
  204 1.17 12
  217 82.46 825
  218 26.4 264
  219 99.99 999
  220 16.35 164
  247 37 370
  248 6.94 69
  259 10.04 100
  260 1.99 20
  261 1.07 11
//

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