ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001988
RECORD_TITLE: 5-METHOXY-2,3-DIMETHYL-6-NITROINDOLE; 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$NAME: 5-METHOXY-2,3-DIMETHYL-6-NITROINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₂N₂O₃
CH$EXACT_MASS: 220.08479
CH$SMILES: CC1=C(NC2=CC(=C(C=C12)OC)[N+](=O)[O-])C
CH$IUPAC: InChI=1S/C11H12N2O3/c1-6-7(2)12-9-5-10(13(14)15)11(16-3)4-8(6)9/h4-5,12H,1-3H3
CH$LINK: INCHIKEY ZLSBCSFIBGGDQS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20346558

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$SPLASH: splash10-00di-2970000000-7bd62c29852c466d899f
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  39 2 20
  41 1.6 16
  42 5 50
  43 0.21 2
  45 1.9 19
  51 2.5 25
  52 0.14 1
  55 1.4 14
  57 1.3 13
  63 2.2 22
  65 0.12 1
  69 1.2 12
  76 1.3 13
  77 8.4 84
  78 0.12 1
  89 2.1 21
  91 1.6 16
  102 2.2 22
  103 0.33 3
  104 1.7 17
  115 5 50
  116 1.9 19
  117 0.23 2
  118 1.9 19
  128 2.8 28
  129 3.1 31
  130 0.71 7
  131 12.5 125
  132 4.7 47
  141 4.2 42
  143 1.92 19
  144 50 500
  145 5.6 56
  146 3.8 38
  147 1.75 18
  158 1.4 14
  159 1 10
  160 4.7 47
  162 0.11 1
  172 5.1 51
  173 18 180
  174 1.2 12
  190 0.27 3
  205 2.5 25
  219 2.9 29
  220 99.99 999
  221 9.5 95
//