ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002660
RECORD_TITLE: TRIACONTANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: TRIACONTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₀H₆₂
CH$EXACT_MASS: 422.48515
CH$SMILES: C(CCCCCCCCCCCCCCCCCCCCCCCCC)CCCC
CH$IUPAC: InChI=1S/C30H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
CH$LINK: COMPTOX DTXSID0060935
CH$LINK: INCHIKEY JXTPJDDICSTXJX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:12535

AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$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$SPLASH: splash10-0a4l-9100000000-9b9337f2e1015ae42f14
PK$NUM_PEAK: 178
PK$PEAK: m/z int. rel.int.
  41 13.2 132
  42 3.8 38
  43 31.8 318
  44 29.7 297
  45 2 20
  47 0.8 8
  50 0.18 2
  51 2.1 21
  52 1.7 17
  53 1.2 12
  54 0.21 2
  55 99.99 999
  57 44.3 443
  58 2.3 23
  59 0.1 1
  60 0.05 1
  65 0.1 1
  67 2.1 21
  68 1.7 17
  69 0.78 8
  70 4.7 47
  71 28.8 288
  72 1.9 19
  73 0.1 1
  75 0.2 2
  76 0.1 1
  77 0.6 6
  78 0.08 1
  79 0.4 4
  80 0.2 2
  81 1 10
  82 0.25 3
  83 6.8 68
  84 3.3 33
  85 20.5 205
  86 0.11 1
  87 0.4 4
  89 0.3 3
  90 0.3 3
  91 0.1 1
  92 0.1 1
  93 0.7 7
  95 1.2 12
  96 0.02 0
  97 5.7 57
  98 1.4 14
  99 5.4 54
  100 0.08 1
  101 0.3 3
  102 0.4 4
  105 0.1 1
  107 0.11 1
  108 1.2 12
  109 1.1 11
  110 0.2 2
  111 0.33 3
  112 1.7 17
  113 4.9 49
  114 0.3 3
  115 0.04 0
  117 0.2 2
  119 0.6 6
  121 0.6 6
  122 0.02 0
  123 0.4 4
  125 1.5 15
  126 1.7 17
  127 0.32 3
  128 0.1 1
  129 0.6 6
  130 0.5 5
  131 0.01 0
  132 0.5 5
  133 0.7 7
  134 0.1 1
  135 0.18 2
  136 0.1 1
  137 0.7 7
  139 0.5 5
  141 3.3 33
  142 0.4 4
  143 0.6 6
  145 0.1 1
  147 1.8 18
  148 0.5 5
  149 4.4 44
  150 0.13 1
  151 0.6 6
  152 0.4 4
  153 1 10
  154 0.12 1
  155 2.6 26
  156 0.6 6
  157 0.5 5
  158 0.13 1
  159 0.03 0
  161 0.4 4
  165 0.6 6
  167 0.2 2
  168 0.08 1
  169 1.7 17
  170 0.5 5
  175 0.3 3
  176 0.04 0
  179 0.1 1
  180 0.2 2
  181 0.1 1
  182 0.06 1
  183 1.6 16
  184 0.5 5
  185 0.4 4
  190 0.03 0
  191 0.2 2
  192 0.1 1
  195 0.2 2
  196 0.05 1
  197 3.1 31
  198 0.4 4
  199 0.3 3
  203 0.04 0
  206 0.1 1
  207 0.3 3
  208 0.5 5
  209 0.2 2
  210 0.3 3
  213 0.4 4
  215 0.4 4
  216 0.03 0
  217 0.2 2
  219 0.1 1
  221 0.3 3
  222 0.03 0
  224 0.5 5
  225 1.2 12
  236 0.3 3
  238 0.04 0
  239 0.6 6
  247 0.4 4
  249 0.5 5
  250 0.03 0
  251 0.3 3
  252 0.1 1
  253 0.6 6
  254 0.01 0
  255 0.4 4
  256 0.3 3
  259 0.6 6
  260 0.03 0
  265 0.2 2
  266 0.3 3
  267 0.3 3
  268 0.03 0
  270 0.4 4
  280 0.4 4
  281 0.3 3
  283 0.01 0
  295 0.6 6
  309 0.7 7
  313 0.2 2
  314 0.05 1
  316 0.6 6
  318 0.3 3
  323 0.4 4
  327 0.05 1
  329 0.2 2
  337 0.3 3
  343 0.04 0
  352 0.6 6
  355 1.3 13
  365 0.3 3
  368 0.4 4
  373 0.01 0
  375 0.3 3
  379 0.4 4
  391 0.5 5
  393 0.06 1
  408 0.3 3
  422 0.5 5
//