ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004306
RECORD_TITLE: 2,3,7-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$NAME: 2,3,7-TRIMETHYLINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H13N
CH$EXACT_MASS: 159.10480
CH$SMILES: CC1=CC=CC2=C1NC(=C2C)C
CH$IUPAC: InChI=1S/C11H13N/c1-7-5-4-6-10-8(2)9(3)12-11(7)10/h4-6,12H,1-3H3
CH$LINK: CAS 27505-78-8
CH$LINK: INCHIKEY USKKDNORVCJALM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20181921
AC$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-2900000000-54bfac0e9684c6f977a6
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  27 3.1 31
  38 1 10
  39 5.1 51
  41 0.22 2
  42 2.4 24
  43 2.2 22
  50 1.8 18
  51 0.41 4
  52 1.8 18
  53 2 20
  58.5 2 20
  62 0.14 1
  63 4.1 41
  64 1.6 16
  65 5.1 51
  65.5 0.14 1
  70.5 1.4 14
  71.5 6.3 63
  72 4.2 42
  74 0.1 1
  75 1.8 18
  76 1.8 18
  77 6.1 61
  77.5 0.18 2
  78 2.9 29
  78.5 9.8 98
  79 4.1 41
  88 0.1 1
  89 4.3 43
  90 1.4 14
  91 7.8 78
  92 0.12 1
  93 1.2 12
  101 1.2 12
  102 2.5 25
  103 0.27 3
  104 1.4 14
  105 1.6 16
  106 1.2 12
  114 0.14 1
  115 16.4 164
  116 5.7 57
  117 4.1 41
  118 0.14 1
  119 1.2 12
  127 2.2 22
  128 4.3 43
  129 0.29 3
  130 3.5 35
  131 2 20
  132 2 20
  140 0.12 1
  141 2.2 22
  142 7.2 72
  143 13.3 133
  144 4.99 50
  145 5.9 59
  154 1.8 18
  155 1.4 14
  156 0.88 9
  157 10.6 106
  158 99.99 999
  159 87.3 873
  160 1.25 13
  161 1.4 14
//
