ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001993
RECORD_TITLE: 5-METHOXY-1,2-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$NAME: 5-METHOXY-1,2-DIMETHYLINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₃NO
CH$EXACT_MASS: 175.09971
CH$SMILES: COc(c2)cc(c1)c(c2)n(C)c(C)1
CH$IUPAC: InChI=1S/C11H13NO/c1-8-6-9-7-10(13-3)4-5-11(9)12(8)2/h4-7H,1-3H3
CH$LINK: COMPTOX DTXSID70344908
CH$LINK: INCHIKEY FODAUNMFUIXBBO-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:600315

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$SPLASH: splash10-071i-6900000000-dac0a35a2865f72e7fd3
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  45 7.7 77
  46 11.9 119
  56 33 330
  57 0.75 8
  58 28.6 286
  61 21 210
  68 6.2 62
  69 0.48 5
  70 58 580
  71 4.9 49
  72 10 100
  73 2.61 26
  78 4.2 42
  82 15.9 159
  83 3 30
  84 0.94 9
  85 3.4 34
  86 4.6 46
  92 3.2 32
  96 0.36 4
  98 5.3 53
  116 3 30
  118 8.2 82
  129 0.42 4
  130 5.8 58
  131 11.2 112
  132 84 840
  133 0.45 5
  160 68 680
  161 3.6 36
  175 99.99 999
  176 8 80
//