ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008138
RECORD_TITLE: OCTACOSANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAOKA R, KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: OCTACOSANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₈H₅₈
CH$EXACT_MASS: 394.45385
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
CH$LINK: INCHIKEY ZYURHZPYMFLWSH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6058639

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$SPLASH: splash10-0abc-9100000000-d9a900e46caef0fb3acc
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  41 23.61 236
  42 7.81 78
  43 76.47 765
  44 5.17 52
  53 1.35 14
  54 2.98 30
  55 20.31 203
  56 13.56 136
  57 99.99 999
  58 7.01 70
  67 4.44 44
  68 4.3 43
  69 13.42 134
  70 11.44 114
  71 67.95 680
  73 1.04 10
  81 2.77 28
  82 5.51 55
  83 13.64 136
  84 7.19 72
  85 39.92 399
  86 2.57 26
  96 3.3 33
  97 12.44 124
  98 4.01 40
  99 12.76 128
  100 1.2 12
  111 3.11 31
  112 2.94 29
  113 8.89 89
  117 1.03 10
  125 1.98 20
  126 3.32 33
  127 6.28 63
  135 1.2 12
  139 2.14 21
  140 3.23 32
  141 4.18 42
  154 1.38 14
  155 5.52 55
  168 1.53 15
  169 3.62 36
  177 1.59 16
  182 3.2 32
  183 4.73 47
  196 2.25 23
  197 3.02 30
  208 2.65 27
  210 1.3 13
  211 1.62 16
  225 3.43 34
  239 3.24 32
  240 1.17 12
  252 1.48 15
  253 2.7 27
  267 3.15 32
  295 1.69 17
  324 1.91 19
  338 1.29 13
  394 2.15 22
//