ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012171
RECORD_TITLE: HENEICOSANE; 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$NAME: HENEICOSANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₄₄
CH$EXACT_MASS: 296.34430
CH$SMILES: CCCCCCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3
CH$LINK: CAS 629-94-7
CH$LINK: INCHIKEY FNAZRRHPUDJQCJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9047097

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$SPLASH: splash10-0002-1290000000-b4e97f1d11340cd3d235
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  71 11.24 112
  85 10.76 108
  86 1.21 12
  97 1.3 13
  99 7.19 72
  111 1.41 14
  113 6.21 62
  127 6.05 61
  128 1.1 11
  141 4.91 49
  155 4.57 46
  169 4.73 47
  183 4.11 41
  197 3.94 39
  211 4.01 40
  225 3.69 37
  239 3.9 39
  253 3.59 36
  267 3.75 38
  281 11.16 112
  282 2.09 21
  295 99.99 999
  296 23.18 232
  297 3.24 32
//