ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012165
RECORD_TITLE: HEXADECANE; 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$NAME: HEXADECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₄
CH$EXACT_MASS: 226.26605
CH$SMILES: CCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
CH$LINK: CAS 544-76-3
CH$LINK: INCHIKEY DCAYPVUWAIABOU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0027195

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$SPLASH: splash10-004i-1190000000-d1910f019008f4335ef4
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  57 4.18 42
  71 5.19 52
  85 6.5 65
  99 4.65 47
  113 4.92 49
  127 4.76 48
  141 4.58 46
  155 3.89 39
  169 3.36 34
  183 2.52 25
  197 2.87 29
  211 10.85 109
  212 1.81 18
  225 99.99 999
  226 18.73 187
  227 1.71 17
//