##TITLE= C13H9NO3 - resolution: 0.001 ##JCAMP-DX= 5.00 ##DATA TYPE= MASS SPECTRUM ##DATA CLASS= PEAK TABLE ##ORIGIN= Generated spectrum based on ChemCalc www.chemcalc.org ##SPECTROMETER/DATA SYSTEM= Based on ChemCalc isotopic distribution calculator ##XUNITS= M/Z ##YUNITS= RELATIVE ABUNDANCE ##NPOINTS= 20 ##MAXY= 100 ##MINY= 0 ##$Unsaturation=10.0 ##$Molecular weight=227.21936 ##$Resolution=0.001 ##$Threshold=1.0E-5 ##$Monoisotopic mass=227.058244 ##PEAK TABLE= (XY..XY) 225.058, 0 227.058, 100 228.055, 0.3713741 228.062, 14.5793382 228.064, 0.1350203 229.059, 0.0536972 229.062, 0.6014435 229.065, 0.9649113 229.066, 0.0173926 229.068, 0.0195226 230.06, 0.0022336 230.062, 0.0035834 230.066, 0.086963 230.068, 0.0393509 230.069, 0.0011607 230.071, 0.0013028 231.067, 0.0012058 231.069, 0.0058034 231.072, 0.0010942 233.072, 0 ##END=