MassBank Record: JP002002



 2,3-DIMETHYL-5-NITRO-1,7-ETHANOINDOLE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002002
RECORD_TITLE: 2,3-DIMETHYL-5-NITRO-1,7-ETHANOINDOLE; 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$NAME: 2,3-DIMETHYL-5-NITRO-1,7-ETHANOINDOLE CH$NAME: 1,2-DIHYDRO-4,5-DIMETHYL-7-NITROPYRROLO(3,2,1-H,I)INDOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H12N2O2 CH$EXACT_MASS: 216.08988 CH$SMILES: [O-1][N+1](=O)c(c3)cc(c(C)1)c(c23)n(CC2)c(C)1 CH$IUPAC: InChI=1S/C12H12N2O2/c1-7-8(2)13-4-3-9-5-10(14(15)16)6-11(7)12(9)13/h5-6H,3-4H2,1-2H3
AC$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: splash10-066r-9420000000-e1ea6ba9d4baf7f487f2 PK$NUM_PEAK: 55 PK$PEAK: m/z int. rel.int. 45 28.3 283 51 3.9 39 53 4.4 44 54 0.41 4 55 51.9 519 56 13.3 133 57 66.7 667 60 2.28 23 61 3.1 31 63 3 30 67 13.9 139 68 1.31 13 69 33.3 333 70 14.4 144 71 36.1 361 72 2.56 26 77 8.5 85 79 3.5 35 81 63.7 637 82 1.06 11 83 24.4 244 84 9.3 93 85 18.9 189 87 0.33 3 91 3.9 39 93 8.1 81 95 11.8 118 96 0.57 6 97 16.7 167 98 7.8 78 99 4.1 41 107 0.39 4 111 6.3 63 113 3 30 115 8.1 81 135 0.33 3 136 6.1 61 137 13.5 135 141 3 30 143 0.39 4 149 8.7 87 154 14.1 141 155 16.7 167 158 0.33 3 167 6.8 68 168 18.5 185 169 48.9 489 170 9.33 93 171 14.1 141 185 10.7 107 186 22.8 228 201 0.38 4 215 23.3 233 216 99.99 999 217 12 120 //