MassBank Record: JP001990



 6-METHOXY-2,3-DIMETHYL-5-NITROINDOLE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001990
RECORD_TITLE: 6-METHOXY-2,3-DIMETHYL-5-NITROINDOLE; 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$NAME: 6-METHOXY-2,3-DIMETHYL-5-NITROINDOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H12N2O3 CH$EXACT_MASS: 220.08479 CH$SMILES: COc(c1)c([N+1]([O-1])=O)cc(c(C)2)c(nc(C)2)1 CH$IUPAC: InChI=1S/C11H12N2O3/c1-6-7(2)12-9-5-11(16-3)10(13(14)15)4-8(6)9/h4-5,12H,1-3H3
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$SPLASH: splash10-00dl-4970000000-0c750948f8407a78a5d8 PK$NUM_PEAK: 54 PK$PEAK: m/z int. rel.int. 39 4 40 41 4.1 41 42 8.8 88 43 0.5 5 45 1.4 14 51 3.6 36 52 1.6 16 53 0.15 2 55 3.4 34 57 5 50 60 1.5 15 63 0.36 4 65 1.9 19 69 3.4 34 71 2.5 25 73 0.18 2 75 1.3 13 76 2 20 77 9.9 99 78 0.24 2 81 1.2 12 83 15.9 159 85 8.8 88 89 0.3 3 91 2.6 26 97 1.4 14 102 3.5 35 103 0.5 5 104 1.8 18 110 2.4 24 115 7.1 71 116 0.25 3 117 3 30 118 1.7 17 128 3.4 34 129 0.41 4 130 8.2 82 131 34.6 346 132 2.6 26 142 0.31 3 143 21.8 218 144 48.7 487 145 4.7 47 146 0.88 9 147 14.8 148 159 8.8 88 160 3.7 37 173 0.21 2 174 2 20 205 33.5 335 206 1.7 17 219 0.25 3 220 99.99 999 221 11.7 117 //