Skip to main content

View full-text article in PMC

. Author manuscript; available in PMC: 2021 Jun 1.

Published in final edited form as: Anal Chem. 2017 Sep 22;89(19):10171–10180. doi: 10.1021/acs.analchem.7b01134

Table 3.

Best Formula Derivation of Eight Selected Unknowns

		best formula
No.	BinBase ID	original	derivatized	molecular mass	mass error
1	54	C₆H₁₁O₈P	C₂₁H₅₁O₈PSi₅	602.217	0.001
2	592	C₆H₉NO₄	C₁₂H₂₅NO₄Si₂	303.132	0.003
3	3122	C₉H₁₇NO₄S	C₁₈H₄₅N₅O₅Si₄	523.25	0.001
4	18588	C₈H₁₆N₂O₄S	C₂₀H₄₈N₂O₄SSi₄	524.241	0.001
5	21695	C₅H₁₁NO₄	C₁₇H₄₃NO₄Si₄	437.227	0.002
6	25801	C₅H₁₁NO₃	C₁₄H₃₅NO₃Si₃	349.192	0.002
7	16833	C₆H₁₀O₆	C₁₈H₄₂O₆Si₄	466.206	0.001
8	17746	C₁₁H₁₂O₆	C₂₃H₄₄O₆Si₄	528.222	0.004