Comparison of fragment ion annotation using NRP-Annotation or mMass.
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https://figshare.com/articles/dataset/_Comparison_of_fragment_ion_annotation_using_NRP_Annotation_or_mMass_/247571
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Indicated are the percentage of the ion intensity annotated as well as the number of ions matched by the software vs. the total ion number.
MC = Microcystin, CM = Cyclomarin, CRY = Cryptophycin, MG = Microginin.
*options chosen that reflect the fragments NRP-Annotation can calculate (a- and b-ions, -NH3 and -H2O, Allow Scrambling, including b1 ions).
**all available options chosen.
***if 37Cl isotope peaks are manually deleted: 88%, 21 of 32.
m/z tolerances used for matching calculated to experimentally observed fragments: 10.015 Da, 20.2 Da, 30.1 Da.
创建时间：
2012-09-13
