ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007693
RECORD_TITLE: EICOSANE; 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$NAME: EICOSANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₄₂
CH$EXACT_MASS: 282.32865
CH$SMILES: CCCCCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
CH$LINK: CAS 112-95-8
CH$LINK: INCHIKEY CBFCDTFDPHXCNY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1025227

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$SPLASH: splash10-0a4l-9000000000-1fd25ca00429cf4bd43d
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  40 1.6 16
  41 59.6 596
  42 15 150
  43 9.89 99
  44 4.4 44
  53 1.8 18
  54 2.7 27
  55 2.87 29
  56 18.5 185
  57 99.99 999
  58 6.1 61
  67 0.23 2
  68 2.1 21
  69 12 120
  70 11.2 112
  71 7.37 74
  72 3.9 39
  82 2.1 21
  83 6.8 68
  84 0.59 6
  85 41 410
  86 2.7 27
  96 1 10
  97 0.45 5
  98 3.4 34
  99 10.8 108
  100 1 10
  111 0.2 2
  112 2.2 22
  113 5.5 55
  125 0.8 8
  126 0.14 1
  127 3.2 32
  140 0.9 9
  141 1.9 19
  154 0.06 1
  155 1.2 12
  168 0.4 4
  169 0.8 8
  182 0.03 0
  183 0.5 5
  196 0.2 2
  197 0.4 4
  210 0.02 0
  211 0.3 3
  224 0.1 1
  225 0.3 3
  238 0.01 0
  239 0.1 1
  253 0.1 1
  282 0.3 3
  283 0.1 1
//