##TITLE= C6H9ClO3 - 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= 23 ##MAXY= 100 ##MINY= 0 ##$Unsaturation=2.0 ##$Molecular weight=164.58866 ##$Resolution=0.001 ##$Threshold=1.0E-5 ##$Monoisotopic mass=164.024022 ##PEAK TABLE= (XY..XY) 162.024, 0 164.024, 100 165.027, 6.6734075 165.028, 0.1202887 165.03, 0.1350203 166.021, 31.9783555 166.028, 0.6014435 166.031, 0.1855599 166.032, 0.0080274 166.034, 0.0090105 167.024, 2.134046 167.025, 0.0384663 167.027, 0.0431773 167.032, 0.0401368 167.034, 0.0027518 168.025, 0.1923317 168.028, 0.059339 168.029, 0.002567 168.031, 0.0028814 168.033, 0.0012058 168.035, 0.001116 169.029, 0.0128351 171.029, 0 ##END=