MassBank Record: JP000211



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

ACCESSION: JP000211
RECORD_TITLE: PARA 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$NAME: PARA TOLUNITRILE CH$NAME: 1-METHYL-4-CYANOBENZENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H7N CH$EXACT_MASS: 117.05785 CH$SMILES: N#Cc(c1)ccc(C)c1 CH$IUPAC: InChI=1S/C8H7N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H3
AC$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-9800000000-1f738088d9fd52d483d9 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 27 2.89 29 37 1.97 20 38 3.15 32 39 10.64 106 41 1.77 18 43 1.51 15 50 5.25 53 51 5.91 59 52 1.51 15 55 1.12 11 57 1.18 12 61 2.63 26 62 5.38 54 63 13.66 137 64 5.98 60 65 3.15 32 74 1.31 13 75 3.22 32 76 2.36 24 77 1.25 13 86 1.12 11 87 1.71 17 88 2.82 28 89 34.34 343 90 61 610 91 7.88 79 114 1.31 13 115 1.77 18 116 71.18 712 117 99.99 999 118 8.86 89 //