ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007692
RECORD_TITLE: OCTADECANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KYOTO INSTITUTE 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$LINK: CAS 593-45-3
CH$LINK: INCHIKEY RZJRJXONCZWCBN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9047172

AC$INSTRUMENT: SHIMADZU QP-1000
AC$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$SPLASH: splash10-0a4i-9000000000-43dac811921ac7f1d82c
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  40 1.8 18
  41 44.5 445
  42 11 110
  43 9.39 94
  44 3.8 38
  53 1.5 15
  54 2 20
  55 2.04 20
  56 13.7 137
  57 99.99 999
  58 4.3 43
  67 0.17 2
  68 1.5 15
  69 8 80
  70 8.2 82
  71 5.26 53
  72 3 30
  82 1.6 16
  83 4.7 47
  84 0.43 4
  85 28.8 288
  86 2 20
  97 3.1 31
  98 0.26 3
  99 7.9 79
  111 1.4 14
  112 1.8 18
  113 0.4 4
  126 1.1 11
  127 2.5 25
  140 0.8 8
  141 0.14 1
  154 0.5 5
  155 0.9 9
  168 0.4 4
  169 0.06 1
  182 0.3 3
  183 0.4 4
  196 0.2 2
  197 0.03 0
  210 0.1 1
  211 0.2 2
  224 0.1 1
  225 0.01 0
  254 0.5 5
  255 0.1 1
//