. Author manuscript; available in PMC: 2020 Sep 27.

Published in final edited form as: J Proteome Res. 2019 Jul 29;18(9):3268–3281. doi: 10.1021/acs.jproteome.9b00216

Table 8.

Results When Running the Combinatorial Approach on 1891 Glycoconjugate Spectra with d = 16^a

mass value	manual interpretation	known a priori?	monoisotopic mass
1.02500	neutron/deamidation	yes	1.00860
1.94080
12.01713
18.00000	water	no	18.01056
30.02305
42.02500
57.00000	G	no	57.02146
96.05000
101.04583	T	no	101.04767
102.05000
113.06250	I/L	no	113.08406
114.05188	N	no	114.04292
128.06040	K/Q	no	128.09496/128.058578
162.06580	hexose	yes	162.04746
180.08750
240.10286

Masses are reported in ascending order and are rounded to five decimal points. Masses known a priori are labeled; these masses were not provided to the model but instead are known true-positives in advance.