MassBank Record: JP004426



 ETHYL 2-METHYL-6-NITRO-1,7-TRIMETHYLENEINDOLE-3-CARBOXYLATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP004426
RECORD_TITLE: ETHYL 2-METHYL-6-NITRO-1,7-TRIMETHYLENEINDOLE-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$NAME: ETHYL 2-METHYL-6-NITRO-1,7-TRIMETHYLENEINDOLE-3-CARBOXYLATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H16N2O4 CH$EXACT_MASS: 288.11101 CH$SMILES: CCOC(=O)c(c(C)1)c(c3)c(c2c([N+1]([O-1])=O)c3)n(CCC2)1 CH$IUPAC: InChI=1S/C15H16N2O4/c1-3-21-15(18)13-9(2)16-8-4-5-10-12(17(19)20)7-6-11(13)14(10)16/h6-7H,3-5,8H2,1-2H3 CH$LINK: INCHIKEY LVPQPHQRBMXNOL-UHFFFAOYSA-N
AC$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: splash10-052u-5490000000-f581568397ae44625d13 PK$NUM_PEAK: 100 PK$PEAK: m/z int. rel.int. 41 13.8 138 42 2.7 27 43 26.2 262 44 0.55 6 45 3 30 54 1.8 18 55 20.7 207 56 0.41 4 57 24.1 241 63 1.4 14 65 5.2 52 67 4.8 48 68 0.25 3 69 16.9 169 70 3.3 33 71 11 110 73 0.36 4 77 2.5 25 81 6.1 61 82 3.6 36 83 1.07 11 84 5.2 52 87 1.1 11 89 0.11 1 91 1.4 14 93 1.1 11 95 4.5 45 96 0.32 3 97 8 80 98 5.7 57 99 1.8 18 101 0.14 1 109 2 20 110 1.4 14 111 3 30 112 0.13 1 114 2.2 22 115 6.3 63 116 1.8 18 117 0.1 1 123 1.5 15 125 1.3 13 127 3.7 37 128 0.25 3 129 3.1 31 130 1.4 14 139 2.5 25 140 0.45 5 141 5 50 143 1.7 17 152 1.1 11 153 0.16 2 154 4.5 45 155 2 20 156 2.5 25 157 0.37 4 158 1.4 14 167 12.8 128 168 20.7 207 169 0.83 8 170 6 60 171 2.9 29 182 1.1 11 183 0.21 2 184 8 80 185 4.5 45 186 3.2 32 187 0.25 3 196 13.4 134 197 10.7 107 198 6.7 67 199 0.39 4 201 2.3 23 211 1.7 17 212 5.3 53 213 1.97 20 214 9 90 215 1.7 17 216 6.7 67 217 0.17 2 225 3.2 32 226 1.8 18 227 2.3 23 228 0.13 1 229 4.4 44 230 2.1 21 231 1.1 11 239 0.14 1 241 27.6 276 242 19 190 243 25.9 259 244 0.66 7 257 1.7 17 258 6.3 63 259 26.2 262 260 0.36 4 271 38.6 386 272 5.4 54 288 99.99 999 289 19.3 193 //

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