MassBank Record: JP004401



 ETHYL 1,2-DIMETHYL-4-NITROINDOLE-3-CARBOXYLATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP004401
RECORD_TITLE: ETHYL 1,2-DIMETHYL-4-NITROINDOLE-3-CARBOXYLATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: SASAKI STOYOHASHI UNIV. OF TECH., TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 1,2-DIMETHYL-4-NITROINDOLE-3-CARBOXYLATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H14N2O4 CH$EXACT_MASS: 262.09536 CH$SMILES: CCOC(=O)c(c(C)1)c(c2[N+1]([O-1])=O)c(ccc2)n(C)1 CH$IUPAC: InChI=1S/C13H14N2O4/c1-4-19-13(16)11-8(2)14(3)9-6-5-7-10(12(9)11)15(17)18/h5-7H,4H2,1-3H3 CH$LINK: INCHIKEY JASOKHBUQKGMGB-UHFFFAOYSA-N
AC$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: splash10-02t9-6590000000-c80013106deda5b663db PK$NUM_PEAK: 89 PK$PEAK: m/z int. rel.int. 41 13.9 139 42 3.8 38 43 24.3 243 44 0.42 4 45 3.7 37 51 2.2 22 54 1.1 11 55 2.06 21 56 13.9 139 57 21.8 218 60 2.5 25 63 0.15 2 67 4.7 47 68 2.9 29 69 31 310 70 0.37 4 71 9 90 73 2.9 29 75 2.5 25 76 0.2 2 77 5.3 53 79 1.9 19 81 10.7 107 82 0.4 4 83 8.9 89 84 3.6 36 85 4.4 44 89 0.25 3 91 2.5 25 93 1.5 15 95 4 40 96 0.32 3 97 7 70 98 2.6 26 99 1.1 11 101 0.4 4 102 2.6 26 103 4.2 42 104 1.7 17 105 0.15 2 109 2 20 110 1.3 13 111 2.6 26 114 0.11 1 115 12.3 123 116 4.2 42 117 4.4 44 118 0.16 2 121 1.1 11 123 1.5 15 125 1.1 11 127 0.15 2 128 1.6 16 129 3.6 36 130 4.6 46 131 0.19 2 132 2.5 25 137 1.6 16 141 1.3 13 142 0.53 5 143 14.3 143 144 7.7 77 145 1.2 12 149 0.11 1 157 1.6 16 158 4.5 45 159 5.2 52 160 0.17 2 170 13.9 139 171 28.2 282 172 5.7 57 174 0.15 2 181 1.9 19 186 2.1 21 187 7.5 75 188 1.07 11 189 2.6 26 190 11.9 119 204 1.5 15 205 0.3 3 216 35.7 357 217 76.2 762 218 6.1 61 231 0.13 1 232 2.2 22 233 17.5 175 234 8.2 82 262 99.99 999 263 10.8 108 //

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