SpecLib

PlantMAT / SpecLib

Enter tandem mass spectral data and other parameters (* required) to search metabolites from various libraries of ESI-MS/MS spectra of authentic references and NMR confirmed isolates from plants:

Exact Mass
Molecular Formula
MS2 Data (mz␣int)*	Example Data
Ion Polarity*	NegativePositive
Error Tolerance (ppm)*
Error Tolerance (abs)*
MS2 Noise Filter*
Spectral Libraries*	Agilent QQQ Natural Product Librarya Bruker QToF Natural Product Library Bruker QToF Medicago Libraryb MassBank JP Library (09/2016)
Score Function*	Cosine SimilarityJaccard Similarity
Score Threshold*
Maximum Matches*

^aLei et al., Analytical Chemistry, 2015, 87, 7373‐7381; doi: 10.1021/acs.analchem.5b01559
^bQiu et al., Analytical Chemistry, 2016, 88, 11373-11383; doi: 10.1021/acs.analchem.6b00906

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