MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012167

HEPTADECANE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012167
RECORD_TITLE: HEPTADECANE; 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

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CH$NAME: HEPTADECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₆
CH$EXACT_MASS: 240.28170
CH$SMILES: CCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3
CH$LINK: CAS 629-78-7
CH$LINK: INCHIKEY NDJKXXJCMXVBJW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7047061

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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

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PK$SPLASH: splash10-000i-1190000000-a6359ab2d935d5122c82
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  57 2.85 29
  71 3.63 36
  85 6.46 65
  99 4.65 47
  113 4.63 46
  127 4.52 45
  141 4.23 42
  155 3.93 39
  169 3.6 36
  183 3.3 33
  197 2.61 26
  211 3.17 32
  225 11.09 111
  226 1.97 20
  239 99.99 999
  240 19.75 198
  241 1.78 18
//