ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006887
RECORD_TITLE: OCTADECANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: OCTADECANE
CH$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$LINK: INCHIKEY RZJRJXONCZWCBN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9047172

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0596-9000000000-b09d63469160a7383701
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  27 8.76 88
  29 25.11 251
  39 5.62 56
  41 42.56 426
  42 10.74 107
  43 89.74 897
  44 2.9 29
  53 1.68 17
  54 2.28 23
  55 25.48 255
  56 14.86 149
  57 99.99 999
  58 4.14 41
  67 1.65 17
  68 1.49 15
  69 9.7 97
  70 11.52 115
  71 62.27 623
  72 3.44 34
  82 1.19 12
  83 5.87 59
  84 5.39 54
  85 37.1 371
  86 2.27 23
  97 4.65 47
  98 3.96 40
  99 9.07 91
  111 1.38 14
  112 3.07 31
  113 6.17 62
  126 2.2 22
  127 4.13 41
  140 1.29 13
  141 2.65 27
  155 1.76 18
  169 1.45 15
  183 1.1 11
  197 1.1 11
  254 2.12 21
//