Machine Learning for Absolute Quantification of Unidentified Compounds in Non-Targeted LC/HRMS

por Palm, Emma, Kruve, Anneli
Publicado 2022

Electrospray Ionization Efficiency Predictions and Analytical Standard Free Quantification for SFC/ESI/HRMS

por Bieber, Stefan, Letzel, Thomas, Kruve, Anneli
Publicado 2023

Benchmarking of the quantification approaches for the non-targeted screening of micropollutants and their transformation products in groundwater

por Kruve, Anneli, Kiefer, Karin, Hollender, Juliane
Publicado 2021

Protomer Formation Can Aid the Structural Identification of Caffeine Metabolites

por Sepman, Helen, Tshepelevitsh, Sofja, Hupatz, Henrik, Kruve, Anneli
Publicado 2022

Complementary methods for structural assignment of isomeric candidate structures in non-target liquid chromatography ion mobility high-resolution mass spectrometric analysis

por Akhlaqi, Masoumeh, Wang, Wei-Chieh, Möckel, Claudia, Kruve, Anneli
Publicado 2023

Estimation of the concentrations of hydroxylated polychlorinated biphenyls in human serum using ionization efficiency prediction for electrospray

por Khabazbashi, Sara, Engelhardt, Josefin, Möckel, Claudia, Weiss, Jana, Kruve, Anneli
Publicado 2022

Quantification for non-targeted LC/MS screening without standard substances

por Liigand, Jaanus, Wang, Tingting, Kellogg, Joshua, Smedsgaard, Jørn, Cech, Nadja, Kruve, Anneli
Publicado 2020

Guide to Semi-Quantitative Non-Targeted Screening Using LC/ESI/HRMS

por Malm, Louise, Palm, Emma, Souihi, Amina, Plassmann, Merle, Liigand, Jaanus, Kruve, Anneli
Publicado 2021

Imine-based [2]catenanes in water

por Caprice, Kenji, Pupier, Marion, Kruve, Anneli, Schalley, Christoph A., Cougnon, Fabien B. L.
Publicado 2017

Anion-driven encapsulation of cationic guests inside pyridine[4]arene dimers

por Kiesilä, Anniina, Moilanen, Jani O, Kruve, Anneli, Schalley, Christoph A, Barran, Perdita, Kalenius, Elina
Publicado 2019

Bypassing the Identification: MS2Quant for Concentration Estimations of Chemicals Detected with Nontarget LC-HRMS from MS(2) Data

por Sepman, Helen, Malm, Louise, Peets, Pilleriin, MacLeod, Matthew, Martin, Jonathan, Breitholtz, Magnus, Kruve, Anneli
Publicado 2023

MS2Tox Machine Learning Tool for Predicting the Ecotoxicity of Unidentified Chemicals in Water by Nontarget LC-HRMS

por Peets, Pilleriin, Wang, Wei-Chieh, MacLeod, Matthew, Breitholtz, Magnus, Martin, Jonathan W., Kruve, Anneli
Publicado 2022

Metabolism of 3-Chlorobiphenyl (PCB 2) in a Human-Relevant Cell Line: Evidence of Dechlorinated Metabolites

por Zhang, Chun-Yun, Li, Xueshu, Flor, Susanne, Ruiz, Patricia, Kruve, Anneli, Ludewig, Gabriele, Lehmler, Hans-Joachim
Publicado 2022