ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004347
RECORD_TITLE: 2,3,5-TRIMETHYL-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$NAME: 2,3,5-TRIMETHYL-1,7-TRIMETHYLENEINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H17N
CH$EXACT_MASS: 199.13610
CH$SMILES: Cc(c3)cc(c(C)1)c(c23)n(CCC2)c(C)1
CH$IUPAC: InChI=1S/C14H17N/c1-9-7-12-5-4-6-15-11(3)10(2)13(8-9)14(12)15/h7-8H,4-6H2,1-3H3
CH$LINK: INCHIKEY CYGAMRLWUSNXFC-UHFFFAOYSA-N
AC$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: splash10-0002-1900000000-4d2cac24d7af6725723d
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
  27 2.2 22
  39 2.5 25
  41 2 20
  51 0.26 3
  53 1.3 13
  63 2.2 22
  65 2 20
  71.5 0.17 2
  76 1.2 12
  77 4.3 43
  77.5 1.8 18
  78 0.14 1
  78.5 2.3 23
  83.5 6.1 61
  84 1.4 14
  84.5 0.48 5
  85.5 1.5 15
  89 1.8 18
  90 1.5 15
  90.5 0.49 5
  91 3 30
  91.5 4 40
  92 1.2 12
  92.5 0.1 1
  97.5 1.7 17
  98.5 4.8 48
  99 1.2 12
  99.5 0.65 7
  100 1.2 12
  102 1.3 13
  103 1.2 12
  115 0.56 6
  116 1.4 14
  117 1.7 17
  127 3 30
  128 0.59 6
  129 2.2 22
  130 1.7 17
  139 1.2 12
  140 0.14 1
  141 2.7 27
  142 2.6 26
  143 1.7 17
  144 0.17 2
  152 1.7 17
  153 1.4 14
  154 5.9 59
  155 0.29 3
  156 8.3 83
  157 2.2 22
  158 1.2 12
  166 0.14 1
  167 5 50
  168 10.2 102
  169 4.6 46
  170 1.65 17
  171 3.5 35
  180 4 40
  181 5.2 52
  182 1.26 13
  183 6.5 65
  184 45.1 451
  185 19.3 193
  186 0.23 2
  194 3 30
  195 2 20
  196 8.2 82
  197 0.54 5
  198 87.5 875
  199 99.99 999
  200 14.5 145
//
