ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000449
RECORD_TITLE: 2,3-DIMETHYL-6-NITRO-5-TRIDEUTEROMETHOXYINDOLE; 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$NAME: 2,3-DIMETHYL-6-NITRO-5-TRIDEUTEROMETHOXYINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H12N2O3
CH$EXACT_MASS: 220.08479
CH$SMILES: CC1=C(NC2=CC(=C(C=C12)OC([2H])([2H])[2H])[N+](=O)[O-])C
CH$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/i3D3
CH$LINK: INCHIKEY ZLSBCSFIBGGDQS-HPRDVNIFSA-N
CH$LINK: PUBCHEM CID:101624368
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$SPLASH: splash10-00dj-4950000000-017da8958da3ae939f8f
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
  39 2.4 24
  41 7 70
  42 2 20
  43 1.13 11
  44 1 10
  45 1.6 16
  51 1 10
  53 0.12 1
  55 7 70
  56 5.4 54
  57 16.7 167
  60 0.1 1
  63 1.5 15
  65 1.1 11
  66 1 10
  67 0.11 1
  69 5.9 59
  70 8.1 81
  71 10.2 102
  75 0.1 1
  76 1.1 11
  77 2.2 22
  78 2 20
  79 0.1 1
  81 1.7 17
  83 3.7 37
  84 1.1 11
  85 0.11 1
  89 1.8 18
  90 1.6 16
  91 1 10
  92 0.16 2
  95 1 10
  97 1.1 11
  103 1.3 13
  104 0.37 4
  105 1.3 13
  112 3.7 37
  113 4.8 48
  115 0.12 1
  116 11.9 119
  117 2.1 21
  118 2.7 27
  119 0.12 1
  129 2.1 21
  130 4 40
  131 3.5 35
  132 0.16 2
  133 4 40
  134 4 40
  135 1.5 15
  143 0.17 2
  144 3.7 37
  145 42.1 421
  146 3.2 32
  147 6.11 61
  148 1.2 12
  149 61.6 616
  150 6.4 64
  159 0.1 1
  161 1.8 18
  162 1 10
  165 1.2 12
  167 1.94 19
  168 1.2 12
  173 7.5 75
  174 1.2 12
  175 0.13 1
  193 3.2 32
  205 4.3 43
  223 99.99 999
  224 9.8 98
//
