MassBank Record: JP000449



 2,3-DIMETHYL-6-NITRO-5-TRIDEUTEROMETHOXYINDOLE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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$SMILES: [2H]C([2H])([2H])Oc(c1)c([N+1]([O-1])=O)cc(n2)c1c(C)c(C)2 CH$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
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 //