MassBank Record: JP003295



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

ACCESSION: JP003295
RECORD_TITLE: P-TOLUENESULFONAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: P-TOLUENESULFONAMIDE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H9NO2S CH$EXACT_MASS: 171.03540 CH$SMILES: Cc(c1)ccc(c1)S(N)(=O)=O CH$IUPAC: InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
AC$INSTRUMENT: JEOL JMS-01-SG-2 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052f-9600000000-ceda5ca56c475ad0f2b3 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 50 3.6 36 51 6.6 66 52 2.4 24 53 1.9 19 61 3 30 62 9.6 96 63 2.6 26 65 27.5 275 66 2 20 77 6.4 64 78 2.2 22 79 3.2 32 89 11.5 115 90 36.6 366 91 99.99 999 92 6.8 68 105 1.9 19 106 27.3 273 107 19.3 193 108 10.4 104 109 1.7 17 136 1.5 15 137 8.1 81 139 5.1 51 154 5.1 51 155 28.8 288 156 2.4 24 157 1.5 15 171 49.6 496 172 4.9 49 173 2.4 24 //