##TITLE= C43H68N12O12S2 - 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= 104 ##MAXY= 100 ##MINY= 0 ##$Unsaturation=16.0 ##$Molecular weight=1009.204487 ##$Resolution=0.001 ##$Threshold=1.0E-5 ##$Monoisotopic mass=1008.4521076769 ##PEAK TABLE= (XY..XY) 1006.452, 0 1008.452, 100 1009.449, 4.38396 1009.451, 1.57911 1009.455, 46.50763 1009.456, 0.45711 1009.458, 0.78209 1010.446, 0.08809 1010.448, 8.94831 1010.449, 0.06923 1010.451, 0.00623 1010.452, 2.03887 1010.453, 0.02004 1010.455, 0.76869 1010.456, 2.47321 1010.458, 0.01235 1010.459, 10.56329 1010.46, 0.21259 1010.462, 0.36373 1010.463, 0.00358 1010.465, 0.00301 1011.443, 0.00107 1011.445, 0.39229 1011.446, 0.00139 1011.447, 0.07065 1011.45, 0.04097 1011.451, 4.16165 1011.452, 0.0731 1011.453, 0.10811 1011.454, 0.07288 1011.456, 0.50203 1011.457, 0.00932 1011.458, 0.16681 1011.459, 0.0193 1011.46, 1.14687 1011.461, 0.01608 1011.462, 1.56141 1011.463, 0.06757 1011.465, 0.08261 1011.466, 0.00166 1011.468, 0.0014 1012.442, 0.00788 1012.444, 0.20328 1012.447, 0.02105 1012.448, 0.18244 1012.449, 0.00179 1012.45, 0.00217 1012.451, 0.03593 1012.452, 0.22066 1012.453, 0.01101 1012.455, 0.97157 1012.457, 0.05028 1012.458, 0.03255 1012.459, 0.08656 1012.46, 0.00212 1012.461, 0.02787 1012.462, 0.02828 1012.463, 0.26049 1012.464, 0.00611 1012.466, 0.18499 1012.468, 0.01221 1013.441, 0.00878 1013.445, 0.00367 1013.447, 0.0931 1013.448, 0.00144 1013.449, 0.00967 1013.45, 0.01136 1013.452, 0.04318 1013.454, 0.00847 1013.455, 0.00143 1013.456, 0.104 1013.458, 0.14267 1013.459, 0.0054 1013.46, 0.01142 1013.461, 0.00739 1013.462, 0.00411 1013.463, 0.0074 1013.464, 0.01296 1013.465, 0.00267 1013.466, 0.0385 1013.467, 0.00109 1013.469, 0.01628 1013.472, 0.00132 1014.444, 0.00408 1014.448, 0.00494 1014.45, 0.02115 1014.453, 0.0045 1014.454, 0.00222 1014.455, 0.00613 1014.456, 0.00249 1014.457, 0.0011 1014.459, 0.02331 1014.461, 0.01511 1014.463, 0.00169 1014.464, 0.00109 1014.467, 0.00294 1014.47, 0.00416 1015.451, 0.0023 1015.454, 0.00313 1015.456, 0.00102 1015.46, 0.00116 1015.462, 0.00345 1015.465, 0.00127 1017.465, 0 ##END=