ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001994
RECORD_TITLE: 5-METHOXY-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$NAME: 5-METHOXY-2,3-DIMETHYLINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₃NO
CH$EXACT_MASS: 175.09971
CH$SMILES: CC1=C(NC2=C1C=C(C=C2)OC)C
CH$IUPAC: InChI=1S/C11H13NO/c1-7-8(2)12-11-5-4-9(13-3)6-10(7)11/h4-6,12H,1-3H3
CH$LINK: INCHIKEY GZSTUEGIANKNTE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80232004

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$SPLASH: splash10-004i-1900000000-bb8dbee90a222ed05bbc
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  45 3 30
  51 3.6 36
  52 4.1 41
  55 0.4 4
  77 6.1 61
  78 5.3 53
  87.5 3.2 32
  115 0.34 3
  116 4.5 45
  130 3.5 35
  131 5.3 53
  132 0.64 6
  146 3.4 34
  159 3.1 31
  160 13.1 131
  174 0.84 8
  175 99.99 999
  176 9.7 97
//