MassBank Record: JP000210



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

ACCESSION: JP000210
RECORD_TITLE: META TOLUNITRILE; 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$NAME: META TOLUNITRILE CH$NAME: 1-METHYL-3-CYANOBENZENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H7N CH$EXACT_MASS: 117.05785 CH$SMILES: N#Cc(c1)cc(C)cc1 CH$IUPAC: InChI=1S/C8H7N/c1-7-3-2-4-8(5-7)6-9/h2-5H,1H3
AC$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: splash10-014i-9700000000-3a250e178c62c1307b3c PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 26 1.57 16 27 5.49 55 37 4.48 45 38 7.84 78 39 24.19 242 40 2.58 26 41 1.57 16 50 8.29 83 51 9.63 96 52 3.36 34 57.5 2.13 21 58 1.34 13 58.5 3.36 34 61 3.36 34 62 7.39 74 63 16.91 169 64 7.73 77 65 4.03 40 74 1.34 13 75 3.36 34 76 3.02 30 77 1.57 16 88 2.46 25 89 23.4 234 90 41.21 412 91 5.26 53 116 62.93 629 117 99.99 999 118 8.96 90 //