MassBank Record: JP002918



 1,3-DINITRO BENZEN; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002918
RECORD_TITLE: 1,3-DINITRO BENZEN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 1,3-DINITRO BENZEN CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H4N2O4 CH$EXACT_MASS: 168.01711 CH$SMILES: [O-1][N+1](=O)c(c1)cc(cc1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00pi-9200000000-c1a87d65c320c33184e3 PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 29 2.85 29 30 97.61 976 37 5.58 56 38 9.98 100 39 10.17 102 46 2.38 24 50 70.12 701 51 10.46 105 52 3.81 38 61 2.47 25 62 5.3 53 63 18.38 184 64 21.8 218 65 3.38 34 73 4 40 74 23.9 239 75 82.05 821 76 72.95 730 77 7.14 71 92 45.29 453 93 3.29 33 122 36.83 368 123 2.78 28 138 2.69 27 152 4.31 43 168 99.99 999 169 8.01 80 //