MassBank Record: JP001671



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

ACCESSION: JP001671
RECORD_TITLE: PARA-NITROBENZONITRILE; 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$NAME: PARA-NITROBENZONITRILE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H4N2O2 CH$EXACT_MASS: 148.02728 CH$SMILES: N#Cc(c1)ccc(c1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C7H4N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/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$SPLASH: splash10-0udi-9700000000-8aa8029bcd60db9a3b18 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 27 3.9 39 30 32.99 330 37 3.09 31 38 2.95 30 39 3.68 37 49 1.84 18 50 16.13 161 51 22.83 228 52 5.15 52 62 2.21 22 63 5.15 52 64 3.09 31 73 1.4 14 74 6.11 61 75 38.59 386 76 18.04 180 90 22.97 230 91 1.4 14 98 1.84 18 102 99.99 999 103 7.66 77 118 7.73 77 132 1.55 16 148 48.9 489 149 4.34 43 //