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Table 1 List of the target molecular weights for the four tested natural products

From: An efficient computer-aided structural elucidation strategy for mixtures using an iterative dynamic programming algorithm

Case name

Target weight lists

C. chinensis

286.24, 302.24, 354.31, 478.41

O. japonicus

328.32, 342.35, 356.33, 370.36

P. multiflorum

270.24, 284.27, 290.27, 406.39, 432.38, 578.53

Angelica sp.

162.03, 186.03, 192.04, 202.03, 216.04, 230.09, 244.11, 246.05, 246.09, 246.09, 270.09, 286.08, 288.10, 300.10, 316.09, 328.13, 334.11, 354.15, 360.08, 360.16, 366.22, 374.14, 376.15, 378.17, 386.14, 388.15, 402.13, 414.17, 414.20, 426.17, 426.17, 428.18, 546.26, 574.29

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Journal of Cheminformatics

ISSN: 1758-2946

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