ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001982
RECORD_TITLE: 6-FORMYL-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$NAME: 6-FORMYL-2,3-DIMETHYLINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₁NO
CH$EXACT_MASS: 173.08406
CH$SMILES: CC1=C(NC2=C1C=CC(=C2)C=O)C
CH$IUPAC: InChI=1S/C11H11NO/c1-7-8(2)12-11-5-9(6-13)3-4-10(7)11/h3-6,12H,1-2H3
CH$LINK: INCHIKEY LVTRGCDDMKIQRG-UHFFFAOYSA-N

AC$INSTRUMENT: Unknown
AC$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$SPLASH: splash10-00dj-4900000000-82b34630d72589a5358c
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  45 52.4 524
  51 15 150
  55 11.7 117
  63 0.61 6
  70 10.6 106
  80 18.4 184
  91 3.9 39
  92 0.26 3
  97 3 30
  104 1.3 13
  107 2 20
  108 0.44 4
  109 5 50
  121 11.1 111
  122 2.4 24
  123 0.2 2
  133 3.3 33
  134 3.9 39
  135 1.8 18
  147 0.5 5
  148 15 150
  149 25 250
  150 2 20
  153 0.11 1
  161 25 250
  162 1.4 14
  173 99.99 999
  174 11.6 116
//