ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004331
RECORD_TITLE: 2,3-DIMETHYL-1,7-TRIMETHYLENEINDOLE; 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$NAME: 2,3-DIMETHYL-1,7-TRIMETHYLENEINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H15N
CH$EXACT_MASS: 185.12045
CH$SMILES: Cc(c(C)1)n(C3)c(c(CC3)2)c(ccc2)1
CH$IUPAC: InChI=1S/C13H15N/c1-9-10(2)14-8-4-6-11-5-3-7-12(9)13(11)14/h3,5,7H,4,6,8H2,1-2H3
CH$LINK: INCHIKEY DAYGQMSLWLLBBZ-UHFFFAOYSA-N
AC$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: splash10-0019-1900000000-e3a744dfda8cf8a5aac4
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  27 2.3 23
  39 3.3 33
  41 2.2 22
  42 0.11 1
  50 1.2 12
  51 3 30
  53 1.1 11
  63 0.3 3
  64 1.1 11
  65 2 20
  71.5 1.6 16
  75 0.14 1
  76 1.5 15
  77 4.6 46
  77.5 3.1 31
  78 0.15 2
  78.5 3.4 34
  83.5 6.2 62
  84 1.7 17
  84.5 0.39 4
  89 2.5 25
  90 1.3 13
  90.5 2.5 25
  91 0.18 2
  91.5 3 30
  92.5 6.3 63
  93 1.1 11
  101 0.1 1
  102 1.5 15
  103 1.1 11
  114 1.3 13
  115 0.31 3
  116 2 20
  117 1.4 14
  127 2.9 29
  128 0.49 5
  129 2.2 22
  130 2.3 23
  139 1.6 16
  140 0.16 2
  141 2.7 27
  142 6.6 66
  143 2.5 25
  144 0.21 2
  152 1.5 15
  153 1.1 11
  154 7.3 73
  155 0.29 3
  156 17.1 171
  157 3.7 37
  166 1.6 16
  167 0.71 7
  168 13.1 131
  169 7.1 71
  170 33.1 331
  171 0.48 5
  180 4.7 47
  181 3.1 31
  182 10.8 108
  183 0.59 6
  184 95.8 958
  185 99.99 999
  186 14.1 141
  187 1.1 11
//
