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MetabolomicsGNPS NIST Metabolites in Human Plasma - LC-IM-MS All Ions
These data and results are supplementary material for the publication: Bilbao et al. A Preprocessing Tool for Enhanced Ion Mobility-Mass Spectrometry-Based Omics Workflows. Journal of Proteome Research 2021. https://doi.org/10.1021/acs.jproteome.1c00425.
ORGANISM(S): Homo Sapiens (ncbitaxon:9606) 
2021-04-23 | MSV000087295 | GNPS
ProteomicsMultidimensional raw files used for MZA benchmarking
These data files are supplementary material for the publication "MZA: a data conversion tool to facilitate software development and artificial intelligence research in multidimensional mass spectrometry". Journal of Proteome Research https://doi.org/10.1021/acs.jproteome.2c00313. MZA is available at...
ORGANISM(S): Shewanella Oneidensis (ncbitaxon:70863) Homo Sapiens (ncbitaxon:9606) Mus Musculus (ncbitaxon:10090) 
MSV000090269 | MassIVE
MetabolomicsGNPS Synthetic biology microbial samples - LC-IM-MS All Ions
These data files and results are supplementary material for the publication "PeakDecoder enables machine learning-based metabolite annotation and accurate profiling in multidimensional mass spectrometry measurements". Nature Communications https://doi.org/10.1038/s41467-023-37031-9. PeakDecoder is a...
ORGANISM(S): Rhodosporidium Toruloides Np11 (ncbitaxon:1130832) Pseudomonas Putida Group (ncbitaxon:136845) Aspergillus Niger (ncbitaxon:5061) Aspergillus Pseudoterreus (ncbitaxon:1565506) 
2022-06-26 | MSV000089733 | GNPS
OtherSynthetic biology microbial samples - LC-IM-MS All Ions
These data files and results are supplementary material for the manuscript "PeakDecoder: A Machine Learning-Based Metabolite Identification Algorithm for Multidimensional Mass Spectrometry Measurements and its Application in Synthetic Biology".
ORGANISM(S): Rhodosporidium Toruloides Np11 (ncbitaxon:1130832) Pseudomonas Putida Group (ncbitaxon:136845) Aspergillus Niger (ncbitaxon:5061) Aspergillus Pseudoterreus (ncbitaxon:1565506) 
2022-06-26 | MSV000089733 | MassIVE
ProteomicsOnline Hydrophilic Interaction Chromatography (HILIC) Enhanced Top-Down Mass Spectrometry Characterization of SARS-CoV-2 Spike Receptor Binding Domain
Online LCMS intact glycoform separation of SARS-CoV-2 spike receptor binding domain proteins expressed in HEK-293 cells from the vendors Sino Biological or RayBiotech. C2 RPLC, CZE, and HILIC separation methods are compared as well as top-down and bottom-up analysis to define RBD glycosylation patte...
ORGANISM(S): Sars Coronavirus (ncbitaxon:227859) Homo Sapiens (ncbitaxon:9606) 
2021-12-21 | MSV000088601 | MassIVE
ProteomicsDemo datasets for AutoCCS: Automated collision cross section calculation software for ion mobility spectrometry-mass spectrometry
Agilent Tunemix samples analyzed on three IMS-MS platforms with nitrogen gas: 1) stepped-field drift tube IMS-MS, 2) single-field drift tube IMS-MS, and 3) SLIM-based IMS-MS. Also, tetraalkylammonium (TAA) salt samples analyzed with SLIM-based IMS-MS using helium gas.
ORGANISM(S): Unclassified Sequences (ncbitaxon:12908) 
2020-08-19 | MSV000085979 | MassIVE
ProteomicsPeakDecoder enables machine learning-based metabolite annotation and accurate profiling in multidimensional mass spectrometry measurements
Global proteomics datasets to study ash utilization by R. toruloides. PeakDecoder is a workflow for metabolite identification and accurate profiling in multidimensional LC-IM-MS-DIA measurements. It is available at https://github.com/EMSL-Computing/PeakDecoder
ORGANISM(S): Rhodosporidium Toruloides Np11 (ncbitaxon:1130832) 
2023-02-03 | MSV000091202 | MassIVE
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