ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002657
RECORD_TITLE: OCTADECANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
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$INSTRUMENT: SHIMADZU LKB-9000B
AC$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$SPLASH: splash10-0a4l-9000000000-354d03fbe6dc8057cf34
PK$NUM_PEAK: 87
PK$PEAK: m/z int. rel.int.
  41 29.2 292
  42 8 80
  43 70.4 704
  44 9.2 92
  45 0.2 2
  47 0.1 1
  51 0.2 2
  52 0.01 0
  53 1.3 13
  54 2.3 23
  55 63.3 633
  57 99.99 999
  58 4.8 48
  59 0.8 8
  65 0.2 2
  66 0.02 0
  67 2.5 25
  68 2.2 22
  69 11.1 111
  70 1.1 11
  71 64.1 641
  72 3.7 37
  73 0.1 1
  75 0.06 1
  76 0.1 1
  77 0.2 2
  78 0.1 1
  79 0.06 1
  80 0.2 2
  81 1.2 12
  82 2.5 25
  83 0.79 8
  84 6.9 69
  85 41.8 418
  86 2.8 28
  91 0.02 0
  93 0.1 1
  94 0.1 1
  95 0.7 7
  96 0.14 1
  97 6.1 61
  98 4.6 46
  99 12.4 124
  100 0.09 1
  105 0.1 1
  107 0.1 1
  108 0.1 1
  109 0.03 0
  110 0.6 6
  111 2.8 28
  112 3.4 34
  113 0.76 8
  114 0.6 6
  117 0.1 1
  123 0.1 1
  124 0.03 0
  125 1.3 13
  126 2.6 26
  127 5.3 53
  128 0.05 1
  138 0.1 1
  139 0.3 3
  140 1.9 19
  141 0.38 4
  142 0.3 3
  147 0.1 1
  153 0.1 1
  154 0.13 1
  155 2.7 27
  156 0.3 3
  168 1.1 11
  169 0.21 2
  170 0.3 3
  182 0.7 7
  183 1.9 19
  184 0.02 0
  196 0.5 5
  197 1.4 14
  198 0.1 1
  210 0.01 0
  211 0.9 9
  212 0.1 1
  224 0.1 1
  225 0.05 1
  252 0.2 2
  254 2 20
  255 0.3 3
//