ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002027
RECORD_TITLE: 2,3-DIMETHYLINDOLE; 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$NAME: 2,3-DIMETHYLINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H11N
CH$EXACT_MASS: 145.08915
CH$SMILES: CC1=C(NC2=CC=CC=C12)C
CH$IUPAC: InChI=1S/C10H11N/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6,11H,1-2H3
CH$LINK: INCHIKEY PYFVEIDRTLBMHG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6059027
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$SPLASH: splash10-0007-3900000000-ca1ab1938c04465c9b72
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
  26 1.7 17
  27 5.7 57
  29 4 40
  30 0.91 9
  31 1 10
  36 1 10
  38 1 10
  39 0.46 5
  40 1.7 17
  41 6.1 61
  42 4 40
  43 0.96 10
  50 1.7 17
  51 4.4 44
  52 2 20
  53 0.15 2
  54 1.4 14
  55 5.1 51
  56 2.5 25
  57 0.35 4
  58.5 2.9 29
  60 1.7 17
  64 1.4 14
  65 0.64 6
  67 2 20
  68 1.4 14
  69 2.7 27
  70 0.19 2
  70.5 1.5 15
  71 2.4 24
  71.5 7.4 74
  72 0.37 4
  72.5 7.9 79
  73 2 20
  74 1 10
  75 0.22 2
  76 2.5 25
  77 11.1 111
  78 2.9 29
  79 0.14 1
  81 1.9 19
  82 1.5 15
  83 1.9 19
  84 0.14 1
  85 1.2 12
  89 1.7 17
  90 1.4 14
  91 0.3 3
  92 1 10
  95 1.4 14
  96 1 10
  97 0.15 2
  98 1.5 15
  100 1 10
  101 2.5 25
  102 0.51 5
  103 5.7 57
  104 1.7 17
  105 1 10
  115 0.73 7
  116 3 30
  117 3.4 34
  118 1 10
  127 0.14 1
  128 4.6 46
  129 2.4 24
  130 34.3 343
  131 0.4 4
  141 1.4 14
  142 4 40
  143 16.5 165
  144 99.99 999
  145 89.4 894
  146 10 100
//
