ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004321
RECORD_TITLE: 3-(2-AMINOETHYL)-2,5-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$NAME: 3-(2-AMINOETHYL)-2,5-DIMETHYLINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H16N2
CH$EXACT_MASS: 188.13135
CH$SMILES: CC1=CC2=C(C=C1)NC(=C2CCN)C
CH$IUPAC: InChI=1S/C12H16N2/c1-8-3-4-12-11(7-8)10(5-6-13)9(2)14-12/h3-4,7,14H,5-6,13H2,1-2H3
CH$LINK: INCHIKEY CMDMWYFWSISWBT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10292030
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$SPLASH: splash10-0a4i-0900000000-3c38e8c846af5178d7ee
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  39 1.6 16
  43 2 20
  51 1.4 14
  63 0.14 1
  65 1.5 15
  77 1.9 19
  89 1.5 15
  91 0.28 3
  115 7 70
  116 2.4 24
  117 1.2 12
  127 0.11 1
  128 2 20
  129 1.3 13
  130 1.7 17
  141 0.1 1
  142 3 30
  143 8.6 86
  144 6.4 64
  145 0.16 2
  154 1.4 14
  156 6.4 64
  157 8.2 82
  158 99.99 999
  159 28.2 282
  160 2.8 28
  188 13.9 139
  189 2 20
//
