MassBank Record: JP000201



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

ACCESSION: JP000201
RECORD_TITLE: META NITROTOLUENE; 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$NAME: META NITROTOLUENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H7NO2 CH$EXACT_MASS: 137.04768 CH$SMILES: Cc(c1)cc(cc1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
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$SPLASH: splash10-00ko-9200000000-f3244e290f82825b0372 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 27 2.12 21 30 3.53 35 38 2.47 25 39 19.51 195 40 1.29 13 41 5.41 54 50 4.23 42 51 7.05 71 52 1.65 17 53 1.18 12 61 1.18 12 62 3.47 35 63 11.16 112 64 2.82 28 65 61.93 619 66 3.23 32 77 6.35 64 79 8.23 82 89 8.05 81 90 3.53 35 91 99.99 999 92 7.58 76 107 9.93 99 121 0.94 9 137 48.35 484 138 4 40 //