ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008139
RECORD_TITLE: TRIACONTANE; 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$NAME: TRIACONTANE
CH$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$LINK: INCHIKEY JXTPJDDICSTXJX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0060935

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$SPLASH: splash10-0abc-9100000000-53e5f2ce729aee0ec9dc
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
  41 29.5 295
  42 12.43 124
  43 96.42 964
  44 4.27 43
  53 2.61 26
  54 4.89 49
  55 42.49 425
  56 22.18 222
  57 99.99 999
  58 7.19 72
  59 2.32 23
  60 1.22 12
  67 4.81 48
  68 3.37 34
  69 21.43 214
  70 14.17 142
  71 93.4 934
  72 4.76 48
  78 1.22 12
  79 2.32 23
  81 1.38 14
  82 6.16 62
  83 17.38 174
  84 8.4 84
  85 58.96 590
  86 4.88 49
  95 1.68 17
  96 5.85 59
  97 19.5 195
  98 7.05 71
  99 18.64 186
  103 2.96 30
  111 8.08 81
  112 6.03 60
  113 12.05 121
  114 1.1 11
  115 2.01 20
  125 2.21 22
  126 2.57 26
  127 7.92 79
  132 1.31 13
  135 1.17 12
  139 1 10
  140 4.94 49
  141 7.55 76
  142 1.44 14
  147 1.67 17
  154 2.32 23
  155 3.95 40
  161 1.06 11
  163 1.48 15
  168 2.72 27
  169 3.83 38
  177 1.92 19
  182 1.37 14
  183 4.72 47
  193 1.64 16
  194 1.1 11
  196 1.79 18
  197 3.54 35
  207 9.5 95
  208 5.06 51
  211 2.36 24
  221 1.1 11
  224 1.35 14
  225 2.51 25
  239 1.4 14
  266 1.12 11
  281 7.55 76
  282 1.05 11
  309 1.17 12
  365 1 10
  422 1.3 13
//