MassBank Record: JP001989



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

ACCESSION: JP001989
RECORD_TITLE: 7-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$NAME: 7-METHOXY-2,3-DIMETHYL-6-NITROINDOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H12N2O3 CH$EXACT_MASS: 220.08479 CH$SMILES: COc(c([N+1]([O-1])=O)2)c(n1)c(cc2)c(C)c(C)1 CH$IUPAC: InChI=1S/C11H12N2O3/c1-6-7(2)12-10-8(6)4-5-9(13(14)15)11(10)16-3/h4-5,12H,1-3H3
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$SPLASH: splash10-00di-5950000000-50132006e8740c065184 PK$NUM_PEAK: 96 PK$PEAK: m/z int. rel.int. 43 3 30 45 17.5 175 56 5.1 51 57 0.28 3 60 12 120 61 6 60 63 5.5 55 64 0.2 2 65 1.9 19 67 2.8 28 68 2.9 29 69 0.25 3 70 4.6 46 71 1.4 14 73 4.8 48 74 0.14 1 75 1.5 15 76 2.4 24 77 11 110 78 1.1 11 79 1.8 18 80 1.1 11 81 10 100 82 0.28 3 83 7 70 84 2.8 28 85 8.3 83 87 0.14 1 89 4.2 42 90 1.7 17 91 2 20 94 0.19 2 95 3.6 36 96 1.6 16 97 5.1 51 98 0.21 2 99 2 20 101 1.5 15 102 2.3 23 103 0.65 7 104 3.1 31 105 1.4 14 107 1.2 12 109 0.19 2 110 1.7 17 111 2.2 22 113 1.3 13 115 0.25 3 116 2.2 22 117 1.3 13 118 1.1 11 121 0.16 2 123 1.6 16 127 1.1 11 128 1.4 14 129 0.41 4 130 7.8 78 131 9.2 92 132 2.3 23 133 0.1 1 136 1.3 13 137 2.4 24 141 1 10 142 0.29 3 143 2.8 28 144 2.3 23 145 1.4 14 146 0.18 2 147 2.5 25 148 1.1 11 149 2.5 25 150 0.11 1 157 1 10 158 7.9 79 159 14.7 147 160 0.71 7 161 1.5 15 171 1.4 14 172 3.4 34 173 99.99 999 174 14.7 147 175 11.5 115 176 1.5 15 177 0.31 3 187 6.6 66 188 2 20 189 4.3 43 190 0.16 2 191 1.1 11 202 1.8 18 203 72 720 204 0.75 8 205 1.2 12 219 2 20 220 62 620 221 5.2 52 //