ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008141
RECORD_TITLE: NONACOSANE; 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$NAME: NONACOSANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₉H₆₀
CH$EXACT_MASS: 408.46950
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C29H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3
CH$LINK: INCHIKEY IGGUPRCHHJZPBS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2060884

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$SPLASH: splash10-0abl-9100000000-1d9663244f481f209c4f
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  41 33.15 332
  42 10.38 104
  43 98.73 987
  45 1.63 16
  54 1.72 17
  55 29.33 293
  56 18.29 183
  57 95.5 955
  58 10.59 106
  68 5.27 53
  69 29.44 294
  70 11.09 111
  71 99.99 999
  72 7.27 73
  82 3.98 40
  83 12.8 128
  84 10.24 102
  85 94.49 945
  86 7.37 74
  95 1.56 16
  97 14.74 147
  98 8.85 89
  99 21.74 217
  100 1.48 15
  110 2.21 22
  111 9.1 91
  112 9.17 92
  113 13.68 137
  114 2.06 21
  125 3.37 34
  126 7.61 76
  127 16.52 165
  139 2.48 25
  140 4.63 46
  141 11.11 111
  154 3.06 31
  155 10.22 102
  156 1.17 12
  168 5.18 52
  169 4.09 41
  182 2.74 27
  183 7.52 75
  196 1.45 15
  197 5.17 52
  207 6.44 64
  208 1.91 19
  211 5.15 52
  212 1.05 11
  224 2.54 25
  225 1.63 16
  238 3.15 32
  239 4.47 45
  252 2.01 20
  253 3.74 37
  266 1.04 10
  267 3.2 32
  283 1.3 13
  294 1.31 13
  295 2.74 27
  308 1.01 10
  309 1.84 18
  323 2.31 23
  337 2.11 21
  351 1.1 11
  408 5.1 51
  409 1.93 19
//