MassBank Record: JP001668



 1-CHLORO-4-NITROBENZENE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001668
RECORD_TITLE: 1-CHLORO-4-NITROBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: 1-CHLORO-4-NITROBENZENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H4ClNO2 CH$EXACT_MASS: 156.99306 CH$SMILES: [O-1][N+1](=O)c(c1)ccc(Cl)c1 CH$IUPAC: InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
AC$INSTRUMENT: HITACHI RMU-7M AC$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$SPLASH: splash10-06vi-9800000000-5ae52005af4e84fed3e6 PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 27 1.31 13 28 3.5 35 30 15.95 160 36 1.46 15 37 4.59 46 38 4.73 47 39 2.48 25 49 2.91 29 50 34.01 340 51 12.96 130 61 3.71 37 62 2.04 20 63 4.15 42 64 1.31 13 73 9.4 94 74 20.32 203 75 99.99 999 76 13.04 130 84 1.82 18 85 7.94 79 87 2.55 26 99 27.6 276 100 1.6 16 101 8.67 87 111 87.69 877 112 5.97 60 113 27.39 274 114 1.68 17 127 28.84 288 128 1.82 18 129 9.1 91 141 2.91 29 157 64.53 645 158 4.44 44 159 20.61 206 160 1.31 13 //