MassBank Record: JP004417



 ETHYL 1,2,7-TRIMETHYL-4-NITROINDOLE-3-CARBOXYLATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP004417
RECORD_TITLE: ETHYL 1,2,7-TRIMETHYL-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$NAME: ETHYL 1,2,7-TRIMETHYL-4-NITROINDOLE-3-CARBOXYLATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H16N2O4 CH$EXACT_MASS: 276.11101 CH$SMILES: CCOC(=O)c(c(C)1)c(c([N+1]([O-1])=O)2)c(c(C)cc2)n(C)1 CH$IUPAC: InChI=1S/C14H16N2O4/c1-5-20-14(17)11-9(3)15(4)13-8(2)6-7-10(12(11)13)16(18)19/h6-7H,5H2,1-4H3 CH$LINK: INCHIKEY OTGJOVPKDZGPDA-UHFFFAOYSA-N
AC$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: splash10-004i-7590000000-8837002e24726c559779 PK$NUM_PEAK: 54 PK$PEAK: m/z int. rel.int. 39 3 30 41 14.2 142 42 2.7 27 43 2.11 21 44 4.1 41 45 2 20 51 1.2 12 54 0.1 1 55 18.3 183 56 14 140 57 16 160 67 0.41 4 68 2.1 21 69 28 280 70 2.9 29 71 1.03 10 77 5.8 58 78 2.1 21 79 1.2 12 81 1.2 12 82 4.5 45 83 10 100 84 2.7 27 90 0.12 1 91 1.8 18 92 1.5 15 93 3.7 37 96 0.43 4 97 4.2 42 98 1.2 12 111 3.8 38 115 1.84 18 116 5.3 53 117 5 50 118 1.8 18 130 0.46 5 144 25 250 145 4.7 47 149 3.4 34 157 7.22 72 158 8.1 81 172 25.3 253 173 5.6 56 174 0.15 2 185 12.4 124 186 4 40 200 17 170 201 0.53 5 203 19.1 191 204 6 60 230 21.2 212 231 5.02 50 276 99.99 999 277 11.2 112 //

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