ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005038
RECORD_TITLE: 2-METHYL-5-UNDECYLPYRIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 2-METHYL-5-UNDECYLPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H29N
CH$EXACT_MASS: 247.23000
CH$SMILES: CCCCCCCCCCCc(c1)cnc(C)c1
CH$IUPAC: InChI=1S/C17H29N/c1-3-4-5-6-7-8-9-10-11-12-17-14-13-16(2)18-15-17/h13-15H,3-12H2,1-2H3
CH$LINK: INCHIKEY RDLXNKSIBXLXSI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30341993
AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0ab9-3910000000-1ba242f683d945d565f7
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
  39 9.3 93
  40 2.5 25
  41 29.6 296
  42 0.48 5
  43 16.3 163
  51 4.3 43
  53 6.6 66
  54 0.21 2
  55 14.8 148
  56 3.5 35
  57 6.9 69
  65 0.6 6
  66 3.1 31
  67 5.5 55
  69 7.1 71
  77 2.54 25
  78 6.1 61
  79 15.6 156
  80 1 10
  81 0.32 3
  83 2.8 28
  91 6.6 66
  92 4.1 41
  93 0.5 5
  94 3.2 32
  95 4 40
  97 4 40
  105 0.57 6
  106 68.9 689
  107 93.6 936
  108 9.9 99
  117 0.45 5
  118 3.5 35
  119 11 110
  120 99.99 999
  121 3.12 31
  122 1.8 18
  132 7 70
  133 2.8 28
  134 2.13 21
  135 5 50
  146 4.9 49
  147 2.7 27
  148 0.95 10
  149 4.5 45
  156 3.5 35
  160 4.7 47
  161 0.21 2
  162 13.6 136
  175 12.1 121
  176 4.9 49
  188 0.47 5
  189 1.2 12
  190 10 100
  191 3.1 31
  204 1 10
  205 4.1 41
  216 14.2 142
  217 1 10
  218 1.13 11
  230 3.1 31
  232 8.3 83
  244 4.1 41
  245 0.65 7
  246 11.3 113
  247 12.5 125
  248 4.1 41
//
