ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007873
RECORD_TITLE: 1-BENZYL-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$NAME: 1-BENZYL-2,3-DIMETHYLINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H17N
CH$EXACT_MASS: 235.13610
CH$SMILES: c(c3)ccc(c3)Cn(c(C)1)c(c2)c(ccc2)c(C)1
CH$IUPAC: InChI=1S/C17H17N/c1-13-14(2)18(12-15-8-4-3-5-9-15)17-11-7-6-10-16(13)17/h3-11H,12H2,1-2H3
CH$LINK: INCHIKEY RTGHTGMXWBWQIQ-UHFFFAOYSA-N
AC$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: splash10-000f-9370000000-38e081422a1f62b03a3c
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  27 1.1 11
  39 2.4 24
  41 1.5 15
  51 0.2 2
  63 1.4 14
  65 11.6 116
  76 1.5 15
  77 0.92 9
  78 1.5 15
  89 2.1 21
  90 1 10
  91 99.99 999
  92 8.7 87
  101 1.1 11
  102 3.6 36
  103 0.36 4
  115 5.2 52
  116 2.2 22
  117 1.7 17
  127 0.1 1
  128 4.8 48
  129 1.5 15
  130 1.4 14
  142 0.21 2
  143 8.6 86
  144 18.8 188
  145 3.2 32
  157 0.11 1
  158 3 30
  217 2.1 21
  218 2.6 26
  219 0.12 1
  220 4.9 49
  221 1.1 11
  232 1.5 15
  234 0.82 8
  235 80 800
  236 15.2 152
  237 1.4 14
//
