ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001987
RECORD_TITLE: 5-METHOXY-1,2-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$NAME: 5-METHOXY-1,2-DIMETHYL-6-NITROINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₂N₂O₃
CH$EXACT_MASS: 220.08479
CH$SMILES: COc(c1)c([N+1]([O-1])=O)cc(n(C)2)c(cc(C)2)1
CH$IUPAC: InChI=1S/C11H12N2O3/c1-7-4-8-5-11(16-3)10(13(14)15)6-9(8)12(7)2/h4-6H,1-3H3
CH$LINK: INCHIKEY SYTNQFPMEUPDRG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30346549

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$SPLASH: splash10-00dl-4940000000-ee307961f011ee5ed370
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  39 6.6 66
  41 8.2 82
  42 3.7 37
  43 1.08 11
  45 4.1 41
  51 3.7 37
  53 2.7 27
  55 0.86 9
  56 10 100
  57 6.8 68
  60 2.1 21
  63 9.5 95
  64 2.7 27
  65 4.1 41
  66 2.7 27
  67 0.21 2
  69 12.3 123
  71 2.5 25
  73 2.3 23
  75 0.37 4
  76 2.9 29
  77 12.5 125
  78 4.1 41
  81 0.39 4
  83 2.5 25
  89 11.2 112
  90 8.4 84
  91 1.23 12
  101 2.1 21
  102 5 50
  103 8.2 82
  104 0.27 3
  115 19.5 195
  116 11.2 112
  117 6.2 62
  118 0.55 6
  119 4.5 45
  128 5.2 52
  129 6.2 62
  130 1.26 13
  131 25 250
  132 11.9 119
  142 11 110
  143 2.12 21
  144 68 680
  145 9 90
  146 8.2 82
  147 0.43 4
  148 2.5 25
  159 2.1 21
  160 4.5 45
  162 0.37 4
  172 4.1 41
  173 27 270
  174 1.9 19
  190 0.73 7
  205 4.8 48
  220 99.99 999
  221 9.5 95
//