ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004304
RECORD_TITLE: 1,2,3-TRIMETHYLINDOLE; 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$NAME: 1,2,3-TRIMETHYLINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₃N
CH$EXACT_MASS: 159.10480
CH$SMILES: Cc(c(C)1)n(C)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C11H13N/c1-8-9(2)12(3)11-7-5-4-6-10(8)11/h4-7H,1-3H3
CH$LINK: CAS 1971-46-6
CH$LINK: INCHIKEY NRRVOLSTQHJDEG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50173374

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$SPLASH: splash10-0a4i-2900000000-dc6e210046d436a08fac
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  26 1.2 12
  27 3.5 35
  39 5.1 51
  41 0.27 3
  42 2.2 22
  43 1.1 11
  50 1.7 17
  51 0.57 6
  52 1.7 17
  53 1.5 15
  55 1.4 14
  63 0.35 4
  64 1.5 15
  65 3.2 32
  71.5 2 20
  72 0.23 2
  75 3.2 32
  76 4.2 42
  77 11.8 118
  78 0.23 2
  78.5 6.1 61
  79 2.4 24
  79.5 7.3 73
  80 0.12 1
  89 4 40
  90 1.7 17
  91 5.7 57
  101 0.26 3
  102 6.9 69
  103 4.4 44
  104 1.2 12
  115 1.75 18
  116 7.1 71
  117 6.1 61
  118 1.6 16
  127 0.28 3
  128 9 90
  129 5.3 53
  130 4.1 41
  131 0.15 2
  140 1.6 16
  141 1.4 14
  142 7.6 76
  143 2.05 21
  144 56.8 568
  145 7.3 73
  154 1.5 15
  156 0.56 6
  157 7.1 71
  158 99.99 999
  159 87.5 875
  160 10.8 108
//