MassBank Record: JP001981



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

ACCESSION: JP001981
RECORD_TITLE: ETHYL 6-NITROINDOLE-2-CARBOXYLATE; 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$NAME: ETHYL 6-NITROINDOLE-2-CARBOXYLATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H10N2O4 CH$EXACT_MASS: 234.06406 CH$SMILES: CCOC(=O)c(c1)nc(c2)c(ccc([N+1]([O-1])=O)2)1 CH$IUPAC: InChI=1S/C11H10N2O4/c1-2-17-11(14)10-5-7-3-4-8(13(15)16)6-9(7)12-10/h3-6,12H,2H2,1H3
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$SPLASH: splash10-000i-4900000000-4c66ea6fc7d89656c4ab PK$NUM_PEAK: 65 PK$PEAK: m/z int. rel.int. 39 3.5 35 41 6.3 63 42 1.4 14 43 1.52 15 44 2.1 21 45 8.1 81 51 1.1 11 52 0.16 2 55 1 10 56 8.7 87 57 2.4 24 58 1.14 11 61 3 30 62 1.1 11 63 4.8 48 64 0.36 4 65 1.3 13 66 1 10 68 2.1 21 69 0.14 1 70 7.8 78 71 1.9 19 72 4.9 49 74 0.3 3 76 1.6 16 77 3.5 35 78 2.2 22 82 0.24 2 83 1.9 19 84 4.4 44 85 2.2 22 86 0.25 3 88 4 40 89 8.2 82 90 2.4 24 96 0.17 2 97 1.6 16 98 3.5 35 99 1.4 14 103 0.28 3 104 1.3 13 105 1.4 14 112 1.4 14 114 0.11 1 115 48.7 487 116 9.8 98 117 2.1 21 130 0.13 1 131 6.2 62 132 1.4 14 135 1 10 143 3.82 38 144 9.5 95 159 7.1 71 160 1 10 161 0.16 2 162 1 10 163 1 10 173 1 10 174 0.1 1 189 99.99 999 190 14.8 148 204 1.3 13 234 9.05 91 235 8.4 84 //