ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009119
RECORD_TITLE: DOCOSANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: DOCOSANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₄₆
CH$EXACT_MASS: 310.35995
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
CH$LINK: CAS 629-97-0
CH$LINK: INCHIKEY HOWGUJZVBDQJKV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7047063

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$SPLASH: splash10-0a4l-9000000000-ff50dcb9226e5bfc0225
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  27 6.3 63
  29 19.31 193
  39 4.5 45
  41 36.17 362
  42 9.96 100
  43 88.37 884
  44 2.03 20
  53 1.42 14
  54 1.87 19
  55 26.53 265
  56 14.21 142
  57 99.99 999
  58 4.44 44
  67 1.96 20
  68 2.04 20
  69 12.44 124
  70 10.96 110
  71 58.05 581
  72 2.45 25
  82 1.42 14
  83 8.22 82
  84 5.65 57
  85 35.7 357
  86 1.67 17
  97 5.63 56
  98 2.8 28
  99 9.85 99
  111 1.74 17
  112 1.97 20
  113 5.95 60
  126 1.48 15
  127 3.72 37
  140 1.09 11
  141 2.2 22
  154 1.06 11
  155 1.68 17
  169 1.22 12
  183 1.09 11
//