MassBank Record: JP004416



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

ACCESSION: JP004416
RECORD_TITLE: ETHYL 1,2,7-TRIMETHYL-6-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$NAME: ETHYL 1,2,7-TRIMETHYL-6-NITROINDOLE-3-CARBOXYLATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H16N2O4 CH$EXACT_MASS: 276.11101 CH$SMILES: CCOC(=O)c(c(C)1)c(c2)c(c(C)c([N+1]([O-1])=O)c2)n(C)1 CH$IUPAC: InChI=1S/C14H16N2O4/c1-5-20-14(17)12-9(3)15(4)13-8(2)11(16(18)19)7-6-10(12)13/h6-7H,5H2,1-4H3 CH$LINK: INCHIKEY SSYHHCUKTLJWLV-UHFFFAOYSA-N
AC$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: splash10-0a6r-3290000000-a23134b076ecb08594cb PK$NUM_PEAK: 52 PK$PEAK: m/z int. rel.int. 39 14.1 141 41 10.1 101 42 3.4 34 43 2.81 28 45 1.2 12 51 3.1 31 52 1.1 11 53 0.11 1 54 2.1 21 55 14.6 146 56 13.1 131 57 1.81 18 67 4.1 41 68 1.1 11 69 19.1 191 71 1.64 16 77 3.4 34 78 1.1 11 79 1.1 11 81 1.06 11 82 3.7 37 83 8.1 81 84 1.7 17 90 0.11 1 91 2.5 25 92 1.5 15 93 1.1 11 95 0.37 4 96 1.2 12 97 1 10 98 1.8 18 99 0.36 4 103 4.1 41 111 3.4 34 115 5.6 56 116 0.6 6 117 12.1 121 118 3.1 31 142 7.2 72 143 1.41 14 157 22.1 221 158 4.9 49 185 28.4 284 186 0.29 3 203 20.2 202 213 12.2 122 214 1.3 13 230 1.12 11 231 56.1 561 259 87.3 873 276 99.99 999 277 13.3 133 //

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