MassBank Record: JP011272



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

ACCESSION: JP011272
RECORD_TITLE: ORTHO-BROMONITROBENZENE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: TAJIMA SGUNMA COLLEGE OF TECHNOLOGY, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ORTHO-BROMONITROBENZENE CH$NAME: 2-BROMONITROBENZENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H4BrNO2 CH$EXACT_MASS: 200.94254 CH$SMILES: [O-1][N+1](=O)c(c1)c(Br)ccc1 CH$IUPAC: InChI=1S/C6H4BrNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H CH$LINK: INCHIKEY ORPVVAKYSXQCJI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9060364
AC$INSTRUMENT: HITACHI M-80A AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0ufr-9520000000-e4a898e6627dc87eda3d PK$NUM_PEAK: 55 PK$PEAK: m/z int. rel.int. 26 2.42 24 27 2.74 27 28 4.28 43 29 1.62 16 30 81.04 810 37 6.97 70 38 10.14 101 39 11.03 110 40 2.66 27 46 6.02 60 49 4.54 45 50 72.12 721 51 12.68 127 52 1.33 13 53 2.08 21 61 2.26 23 62 3.26 33 63 16.35 164 64 12.67 127 65 1.3 13 73 3.94 39 74 24.81 248 75 99.99 999 76 92.89 929 77 7.28 73 78 3.97 40 79 1.5 15 81 1.44 14 90 1.91 19 92 17.07 171 93 1.29 13 94 1.88 19 117 2.67 27 119 2.53 25 122 3.62 36 129 2.43 24 131 2.36 24 143 44.12 441 144 2.56 26 145 42.5 425 146 2.38 24 155 54.19 542 156 4.76 48 157 52.8 528 158 4.03 40 171 28.38 284 172 2.3 23 173 27.49 275 174 2.08 21 185 10.03 100 187 9.7 97 201 76.52 765 202 6.83 68 203 74.38 744 204 6.52 65 //

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