ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001646
RECORD_TITLE: N-OCTADECANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: N-OCTADECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₈
CH$EXACT_MASS: 254.29735
CH$SMILES: CCCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
CH$LINK: CAS 593-45-3
CH$LINK: INCHIKEY RZJRJXONCZWCBN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9047172

AC$INSTRUMENT: VARIAN MAT-44
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4l-9000000000-57d32abbd4d744a3ed5a
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  41 27.65 277
  42 8.82 88
  43 84.53 845
  44 4.92 49
  54 1.56 16
  55 15.93 159
  56 13.67 137
  57 99.99 999
  58 4.29 43
  67 1.17 12
  68 1.25 13
  69 6.64 66
  70 7.5 75
  71 50.23 502
  72 2.81 28
  82 1.4 14
  83 3.59 36
  84 3.67 37
  85 24.92 249
  86 1.48 15
  97 2.1 21
  98 2.18 22
  99 6.87 69
  112 1.4 14
  113 3.2 32
  126 1.01 10
  127 1.95 20
  141 1.25 13
  254 1.17 12
//