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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012172

DOCOSANE; CI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012172
RECORD_TITLE: DOCOSANE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
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$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

PK$SPLASH: splash10-0a4i-3329000000-6fea29f2d799a1ec5db7
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  57 3.87 39
  70 2.7 27
  71 16.22 162
  83 2.07 21
  85 16.11 161
  97 1.48 15
  99 9.42 94
  100 1.47 15
  113 8.15 82
  127 7.24 72
  128 1.05 11
  141 6.98 70
  155 5.92 59
  169 5.15 52
  183 5.26 53
  197 4.44 44
  198 1.06 11
  211 4.6 46
  225 4.67 47
  239 3.79 38
  240 1.04 10
  253 3.8 38
  254 1.1 11
  267 3.13 31
  281 4.36 44
  295 9.04 90
  296 2.52 25
  309 99.99 999
  310 23.37 234
  311 2.26 23
//

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