ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004336
RECORD_TITLE: 1,2,3,4,7-PENTAMETHYLINDOLE; 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$NAME: 1,2,3,4,7-PENTAMETHYLINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₇N
CH$EXACT_MASS: 187.13610
CH$SMILES: Cc(c2)c(c(C)1)c(c(C)c2)n(C)c(C)1
CH$IUPAC: InChI=1S/C13H17N/c1-8-6-7-9(2)13-12(8)10(3)11(4)14(13)5/h6-7H,1-5H3
CH$LINK: INCHIKEY BXFCMODFVWLTAT-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$SPLASH: splash10-000i-1900000000-842a7dcb9fc8771eca4e
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  27 1.9 19
  39 2.7 27
  41 1.7 17
  42 0.13 1
  51 2.4 24
  53 1.5 15
  56 1.8 18
  63 0.19 2
  64 1.1 11
  65 2.2 22
  71.5 1.3 13
  77 0.39 4
  77.5 1.4 14
  78 1.4 14
  78.5 6 60
  79 0.17 2
  79.5 1.4 14
  83.5 1.7 17
  84.5 1.7 17
  85.5 0.61 6
  86 1.7 17
  89 1.4 14
  91 3.6 36
  91.5 0.12 1
  92.5 6.3 63
  93 1.4 14
  93.5 6.6 66
  94 0.11 1
  102 1.1 11
  103 1.5 15
  105 1.1 11
  115 0.8 8
  116 3.2 32
  117 1.3 13
  127 3.9 39
  128 0.85 9
  129 5.4 54
  130 3.2 32
  131 1.8 18
  141 0.21 2
  142 2.1 21
  143 1.9 19
  144 2.4 24
  145 0.1 1
  154 3.5 35
  155 2 20
  156 8 80
  157 0.68 7
  158 3 30
  167 1.2 12
  168 2.7 27
  169 0.14 1
  170 9.5 95
  171 10.7 107
  172 63.6 636
  173 0.87 9
  184 2 20
  185 2.6 26
  186 66.2 662
  187 99.99 999
  188 13.9 139
  189 1 10
//