ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009118
RECORD_TITLE: HENICOSANE; 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$NAME: HENICOSANE
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a4l-9000000000-e59f7d9328ef554ce284
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  27 6.4 64
  29 18.42 184
  39 3.87 39
  41 36.32 363
  42 9.47 95
  43 87.01 870
  44 2.51 25
  53 1.25 13
  54 2.23 22
  55 26.74 267
  56 13.48 135
  57 99.99 999
  58 3.82 38
  67 2.23 22
  68 2 20
  69 12.38 124
  70 10.71 107
  71 58.26 583
  72 2.95 30
  82 1.33 13
  83 7.88 79
  84 6.01 60
  85 39 390
  86 1.95 20
  97 4.95 50
  98 3.75 38
  99 10.03 100
  111 1.85 19
  112 2.48 25
  113 5.12 51
  126 1.73 17
  127 3.27 33
  140 1.15 12
  141 2.6 26
  155 1.7 17
  169 1.6 16
  183 1 10
  296 1.11 11
//