ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004318
RECORD_TITLE: 1,2,3,7-TETRAMETHYLINDOLE; 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$NAME: 1,2,3,7-TETRAMETHYLINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₅N
CH$EXACT_MASS: 173.12045
CH$SMILES: Cc(c2)c(n(C)1)c(cc2)c(C)c(C)1
CH$IUPAC: InChI=1S/C12H15N/c1-8-6-5-7-11-9(2)10(3)13(4)12(8)11/h5-7H,1-4H3
CH$LINK: INCHIKEY XFMIBSDZPCAMEH-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$SPLASH: splash10-00di-1900000000-a25192ba534d43c5eb30
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  27 2.2 22
  39 3.8 38
  41 2.1 21
  42 0.15 2
  50 1.1 11
  51 3.1 31
  52 1.1 11
  53 0.15 2
  55 1.1 11
  56 1.8 18
  63 3.1 31
  64 0.12 1
  65 3.3 33
  66 1 10
  71.5 1.8 18
  72.5 0.12 1
  75 1.5 15
  76 1 10
  77 4.3 43
  77.5 0.18 2
  78 2.2 22
  78.5 5.1 51
  79 2 20
  83.5 0.11 1
  84.5 1 10
  85.5 10.5 105
  86 2.1 21
  86.5 0.56 6
  87 1.2 12
  89 2.7 27
  90 1.1 11
  91 0.55 6
  92 1 10
  101 1 10
  102 1.6 16
  103 0.16 2
  115 14.1 141
  116 4.9 49
  117 3.3 33
  118 0.11 1
  127 2.8 28
  128 5.6 56
  129 3.9 39
  130 0.31 3
  131 1.6 16
  140 1.2 12
  141 2 20
  142 0.48 5
  143 5 50
  144 2.8 28
  145 1 10
  154 0.28 3
  155 1.6 16
  156 10.3 103
  157 13.4 134
  158 5.94 59
  159 8.4 84
  168 1 10
  170 3.1 31
  171 0.43 4
  172 80.2 802
  173 99.99 999
  174 13 130
  175 1 10
//