MassBank Record: JP001999



 3-NITROCARBAZOLE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001999
RECORD_TITLE: 3-NITROCARBAZOLE; 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$NAME: 3-NITROCARBAZOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H8N2O2 CH$EXACT_MASS: 212.05858 CH$SMILES: [O-1][N+1](=O)c(c3)cc(c(c3)1)c(c2)c(ccc2)n1 CH$IUPAC: InChI=1S/C12H8N2O2/c15-14(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)13-12/h1-7,13H
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$SPLASH: splash10-03xr-9880000000-978f7088e00a5e4d98c4 PK$NUM_PEAK: 64 PK$PEAK: m/z int. rel.int. 39 3.2 32 41 11.2 112 42 1.6 16 43 1.85 19 51 1.5 15 54 1.1 11 55 13.4 134 56 0.28 3 57 17.3 173 60 4.1 41 61 1 10 62 0.12 1 63 3 30 67 2.7 27 68 2.3 23 69 2.55 26 70 3.2 32 71 7.6 76 73 4.4 44 74 0.14 1 75 1.6 16 77 1.1 11 81 7.4 74 82 0.3 3 83 8.8 88 84 3 30 85 4 40 86 0.1 1 87 2.2 22 88 1.1 11 89 1.1 11 95 0.27 3 96 2.3 23 97 5.5 55 98 2.4 24 99 0.12 1 101 1.1 11 109 1.4 14 110 1.3 13 111 0.25 3 112 1 10 113 2.3 23 114 1.2 12 115 0.13 1 123 1.2 12 125 1 10 127 1.8 18 128 0.1 1 129 1.6 16 137 2.9 29 138 3.6 36 139 3.65 37 140 7.9 79 153 1.5 15 154 4.2 42 164 0.45 5 165 3.9 39 166 66.6 666 167 5.3 53 182 0.94 9 183 1 10 211 1.3 13 212 99.99 999 213 8.8 88 //