##TITLE= C44H32N2 - 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= 22 ##MAXY= 100 ##MINY= 0 ##$Unsaturation=30.0 ##$Molecular weight=588.75148 ##$Resolution=0.001 ##$Threshold=1.0E-5 ##$Monoisotopic mass=588.256548 ##PEAK TABLE= (XY..XY) 586.257, 0 588.257, 100 589.254, 0.7427482 589.26, 48.9383215 589.263, 0.480072 590.251, 0.0013792 590.257, 0.3634885 590.26, 0.0035657 590.263, 11.7026421 590.266, 0.2349392 590.269, 0.0011163 591.26, 0.0869212 591.263, 0.001745 591.267, 1.8222517 591.269, 0.0561811 592.264, 0.0135347 592.27, 0.2077441 592.273, 0.0087481 593.267, 0.001543 593.273, 0.0184848 594.277, 0.0013363 596.277, 0 ##END=