Metabolomics to elucidate the effects of novel sustainable feed additives in the feed of farmed salmon (HoloFood Trial B - blue mussel-dose response)
Ontology highlight
ABSTRACT: An experimental trial was conducted on juvenile farmed Atlantic salmon (Salmo salar) in the framework of the HoloFood project, which aims to test the effect of novel sustainable feed additives in the feed of farmed salmon. Trial B blue mussel was used as a novel sustainable protein feed source in the diet of Atlantic salmon. Blue mussel represents an alternative, more sustainable protein source than traditional fishmeal. The blue mussel meal was produced by de-shelled blue mussels, which were subsequently spray-dried. It was integrated into the diet, mainly replacing fishmeal as the protein source. HoloFood Trial B - blue mussel-dose response is reported in the current study MTBLS4382. HoloFood Trial A - seaweed-dose response is reported in MTBLS4381. HoloFood Trial C - blue mussel ensilage-dose response is reported in MTBLS4384. HoloFood Trial D - fermented seaweed open water-dose response is reported in MTBLS6733. HoloFood Trial 1/2/3 is reported in MTBLS6988. Linked cross omic data sets: Nucleic acid data associated with this study are available in the European Nucleotide Archive (ENA): accession number PRJEB43192. Metagenomic data associated with this study are available from MGnify under the Super Study 'holofood'.
INSTRUMENT(S): Liquid Chromatography MS - positive
SUBMITTER: Jacob Rasmussen Varsha Kale Sandy Rogers
PROVIDER: MTBLS4382 | MetaboLights | 2023-06-13
REPOSITORIES: MetaboLights
Dataset's files
| Action | DRS | |||
|---|---|---|---|---|
| MTBLS4382 | Other | |||
| FILES | Other | |||
| a_MTBLS4382_LC-MS_positive__metabolite_profiling.txt | Txt | |||
| files-all.json | Other | |||
| i_Investigation.txt | Txt |
Items per page: 5 1 - 5 of 7 |
Similar Datasets
Project description:<p>Testing the effect of blue mussel ensilage as a novel cost-efficient protein feed source for Atlantic salmon feed. Fermentation of novel raw materials for fish feed is a new practice with little prior experience of direct relevance to aquaculture and fish farming. In Trial A, an alternative marine compound is included in the feed, which is based on seaweed. In the trial were multiple inclusion levels used to investigate the effect of seaweed inclusion in an aquaculture setting.</p><p><br></p><p><strong>HoloFood Trial A</strong> - <strong>seaweed-dose response</strong> is reported in the current study <a href='https://www.ebi.ac.uk/metabolights/MTBLS4381' rel='noopener noreferrer' target='_blank'><strong>MTBLS4381</strong></a>.</p><p><strong>HoloFood Trial B - blue mussel-dose response</strong> is reported in <a href='https://www.ebi.ac.uk/metabolights/MTBLS4382' rel='noopener noreferrer' target='_blank'><strong>MTBLS4382</strong></a>.</p><p><strong>HoloFood Trial C</strong> - <strong>blue mussel ensilage-dose response</strong> is reported in <a href='https://www.ebi.ac.uk/metabolights/MTBLS4384' rel='noopener noreferrer' target='_blank'><strong>MTBLS4384</strong></a>.</p><p><strong>HoloFood Trial D</strong> - <strong>fermented seaweed open water-dose response</strong> is reported in <a href='https://www.ebi.ac.uk/metabolights/MTBLS6733' rel='noopener noreferrer' target='_blank'><strong>MTBLS6733</strong></a>.</p><p><strong>HoloFood Trial 1/2/3</strong> is reported in <a href='https://www.ebi.ac.uk/metabolights/MTBLS6988' rel='noopener noreferrer' target='_blank'><strong>MTBLS6988</strong></a>.</p><p><br></p><p><strong>Linked cross omic data sets:</strong></p><p>Nucleic acid data associated with this study are available in the European Nucleotide Archive (ENA): accession number <a href='https://www.ebi.ac.uk/ena/browser/view/PRJEB43192' rel='noopener noreferrer' target='_blank'>PRJEB43192</a>.</p><p>Metagenomic data associated with this study are available from MGnify under the Super Study '<a href='https://www.ebi.ac.uk/metagenomics/super-studies/holofood' rel='noopener noreferrer' target='_blank'>holofood</a>'.</p>
2023-06-13 | MTBLS4381 | MetaboLights
Project description:<p>Testing the effect of seaweed as a novel cost-efficient feed source for Atlantic salmon feed. Fermentation of novel raw materials for fish feed is a new practice with little prior experience of direct relevance to aquaculture and fish farming. In Trial D, an alternative marine compound is included in the feed, which is based on seaweed.</p><p><br></p><p><strong>HoloFood Trial D - fermented seaweed open water-dose response</strong> is reported in the current study <a href='https://www.ebi.ac.uk/metabolights/MTBLS6733' rel='noopener noreferrer' target='_blank'><strong>MTBLS6733</strong></a>.</p><p><strong>HoloFood Trial A - seaweed-dose response</strong> is reported in <a href='https://www.ebi.ac.uk/metabolights/MTBLS4381' rel='noopener noreferrer' target='_blank'><strong>MTBLS4381</strong></a>.</p><p><strong>HoloFood Trial B - blue mussel-dose response</strong> is reported in <a href='https://www.ebi.ac.uk/metabolights/MTBLS4382' rel='noopener noreferrer' target='_blank'><strong>MTBLS4382</strong></a>.</p><p><strong>HoloFood Trial C - blue mussel ensilage-dose response</strong> is reported in <a href='https://www.ebi.ac.uk/metabolights/MTBLS4384' rel='noopener noreferrer' target='_blank'><strong>MTBLS4384</strong></a>.</p><p><strong>HoloFood Trial 1/2/3</strong> is reported in <a href='https://www.ebi.ac.uk/metabolights/MTBLS6988' rel='noopener noreferrer' target='_blank'><strong>MTBLS6988</strong></a>.</p><p><br></p><p><strong>Linked cross omic data sets:</strong></p><p>Nucleic acid data associated with this study are available in the European Nucleotide Archive (ENA): accession number <a href='https://www.ebi.ac.uk/ena/browser/view/PRJEB43192' rel='noopener noreferrer' target='_blank'>PRJEB43192</a>.</p><p>Metagenomic data associated with this study are available from MGnify under the Super Study '<a href='https://www.ebi.ac.uk/metagenomics/super-studies/holofood' rel='noopener noreferrer' target='_blank'>holofood</a>'.</p>
2023-06-13 | MTBLS6733 | MetaboLights
Project description:<p>Testing the effect of blue mussel ensilage as a novel cost-efficient protein feed source for Atlantic salmon feed. Fermentation of novel raw materials for fish feed is a new practice with little prior experience of direct relevance to aquaculture and fish farming. In Trial C, alternative processing of the raw blue mussel meat was tested where the protein was ensilaged before use instead of processed into a dry meal. By using this preservation process, a significant part of small peptides and free amino acids is generated. This trial aimed to examine whether the provision of better protein utilisation and a different microbiome in the gut of the fish can lead to a satisfactory utilisation of this ensilaged protein source by salmon. Earlier published results have shown that ensilaged fish protein provides better protein utilization and growth in Atlantic salmon. It is our assumption that the nutrient value of this product, therefore, is different compared to the more traditional protein meal tested in Trial B. It may also influence the microbiota in the gut differently based on the same arguments. The results from trial C will be very important as this ensilage-based treatment has not yet been used at a routine level, so any new information on its effect on fish health and growth will be highly useful to the aquaculture industry at large.</p><p><br></p><p><strong>HoloFood Trial C - blue mussel ensilage-dose response</strong> is reported in the current study <a href='https://www.ebi.ac.uk/metabolights/MTBLS4384' rel='noopener noreferrer' target='_blank'><strong>MTBLS4384</strong></a>.</p><p><strong>HoloFood Trial A - seaweed-dose response</strong> is reported in <a href='https://www.ebi.ac.uk/metabolights/MTBLS4381' rel='noopener noreferrer' target='_blank'><strong>MTBLS4381</strong></a>.</p><p><strong>HoloFood Trial B - blue mussel-dose response</strong> is reported in <a href='https://www.ebi.ac.uk/metabolights/MTBLS4382' rel='noopener noreferrer' target='_blank'><strong>MTBLS4382</strong></a>.</p><p><strong>HoloFood Trial D - fermented seaweed open water-dose response</strong> is reported in <a href='https://www.ebi.ac.uk/metabolights/MTBLS6733' rel='noopener noreferrer' target='_blank'><strong>MTBLS6733</strong></a>.</p><p><strong>HoloFood Trial 1/2/3</strong> is reported in <a href='https://www.ebi.ac.uk/metabolights/MTBLS6988' rel='noopener noreferrer' target='_blank'><strong>MTBLS6988</strong></a>.</p><p><br></p><p><strong>Linked cross omic data sets:</strong></p><p>Nucleic acid data associated with this study are available in the European Nucleotide Archive (ENA): accession number <a href='https://www.ebi.ac.uk/ena/browser/view/PRJEB43192' rel='noopener noreferrer' target='_blank'>PRJEB43192</a>.</p><p>Metagenomic data associated with this study are available from MGnify under the Super Study '<a href='https://www.ebi.ac.uk/metagenomics/super-studies/holofood' rel='noopener noreferrer' target='_blank'>holofood</a>'.</p>
2023-06-13 | MTBLS4384 | MetaboLights
Project description:<p>Chicken farming is critical for future food security, yet there is still a need for improving animal welfare and optimised feeding strategies. HoloFood will explore the interaction and impact of the microbiome together with the host (animal) in response to different feeding strategies already implemented commercially. Chicken farming has recently made huge efforts towards healthy, natural food production without using chemicals or antibiotics in food systems. As such natural alternatives, such as prebiotic and probiotic additives to chicken feed, have been a huge improvement. Nonetheless, the full impact of these natural alternatives and the variation in chicken growth is still poorly understood. HoloFood aims to investigate the effect and interplay between the host (chicken) - microbiome in response to different dietary additives.</p><p><br></p><p><strong>HoloFood Trial 1/2/3</strong> is reported in the current study <a href='https://www.ebi.ac.uk/metabolights/MTBLS6988' rel='noopener noreferrer' target='_blank'><strong>MTBLS6988</strong></a>.</p><p><strong>HoloFood Trial A - seaweed-dose response</strong> is reported in <a href='https://www.ebi.ac.uk/metabolights/MTBLS4381' rel='noopener noreferrer' target='_blank'><strong>MTBLS4381</strong></a>.</p><p><strong>HoloFood Trial B - blue mussel-dose response</strong> is reported in <a href='https://www.ebi.ac.uk/metabolights/MTBLS4382' rel='noopener noreferrer' target='_blank'><strong>MTBLS4382</strong></a>.</p><p><strong>HoloFood Trial C - blue mussel ensilage-dose response</strong> is reported in <a href='https://www.ebi.ac.uk/metabolights/MTBLS4384' rel='noopener noreferrer' target='_blank'><strong>MTBLS4384</strong></a>.</p><p><strong>HoloFood Trial D - fermented seaweed open water-dose</strong> response is reported in <a href='https://www.ebi.ac.uk/metabolights/MTBLS6733' rel='noopener noreferrer' target='_blank'><strong>MTBLS6733</strong></a>.</p><p><br></p><p><strong>Linked cross omic data sets:</strong></p><p>Nucleic acid data associated with this study are available in the European Nucleotide Archive (ENA): accession number <a href='https://www.ebi.ac.uk/ena/browser/view/PRJEB43192' rel='noopener noreferrer' target='_blank'>PRJEB43192</a>.</p><p>Metagenomic data associated with this study are available from MGnify under the Super Study '<a href='https://www.ebi.ac.uk/metagenomics/super-studies/holofood' rel='noopener noreferrer' target='_blank'>holofood</a>'.</p>
2023-06-13 | MTBLS6988 | MetaboLights
Project description:<p>Here we present LipidCreator, a software that fully supports targeted lipidomics assay development. LipidCreator offers a comprehensive framework to compute MS/MS fragment masses for over 60 lipid classes. LipidCreator provides all functionalities needed to define fragments, manage stable isotope labeling, optimize collision energy and generate in silico spectral libraries. We validate LipidCreator assays computationally and analytically and prove that it is capable to generate large targeted experiments to analyze blood and to dissect lipid-signaling pathways such as in human platelets.</p><p><br></p><p>In MTBLS1333, 58 lipid mediator standards were used to study the lipid fragmentation, build optimal collision energy models, create in-silico spectral libraries and spike-in as internal standards. They were purchased from Cayman Chemical (Ann Arbor, Michigan, USA). Lipid fragment masses of mediators were validated with the Metlin database (https://metlin.scripps.edu/).</p><p><br></p><p>Studies linked to this manuscript include;</p><p><a href='https://www.ebi.ac.uk/metabolights/mtbls1333' rel='noopener noreferrer' target='_blank'>MTBLS1333; LipidCreator: Collision Energy Optimization and Fragment Intensity Prediction for Lipid Mediators - Thermo QExactive HF</a></p><p><a href='https://www.ebi.ac.uk/metabolights/mtbls1334' rel='noopener noreferrer' target='_blank'>MTBLS1334; LipidCreator: Collision Energy Optimization and Fragment Intensity Prediction for Lipid Mediators - Agilent QTof</a></p><p><a href='https://www.ebi.ac.uk/metabolights/mtbls1369' rel='noopener noreferrer' target='_blank'>MTBLS1369; LipidCreator: Platelet isolation and stimulation - Targeted Phospho- and Glycerolipid Profiling</a></p><p><a href='https://www.ebi.ac.uk/metabolights/mtbls1375' rel='noopener noreferrer' target='_blank'>MTBLS1375; LipidCreator: Targeted lipidomics analysis of Human Plasma samples and comparison with NIST SRM 1950 standard</a></p><p><a href='https://www.ebi.ac.uk/metabolights/mtbls1376' rel='noopener noreferrer' target='_blank'>MTBLS1376; LipidCreator: Targeted lipidomics analysis of S. cerevisiae to determine true and false identification</a></p><p><a href='https://www.ebi.ac.uk/metabolights/mtbls1381' rel='noopener noreferrer' target='_blank'>MTBLS1381; LipidCreator: Platelet isolation and stimulation - Targeted Lipid Mediator Profiling</a></p><p><a href='https://www.ebi.ac.uk/metabolights/mtbls1382' rel='noopener noreferrer' target='_blank'>MTBLS1382; LipidCreator: Platelet isolation and stimulation - DIA Lipid Mediator Validation</a></p>
2020-07-16 | MSV000085765 | GNPS
Project description:<p>Here we present LipidCreator, a software that fully supports targeted lipidomics assay development. LipidCreator offers a comprehensive framework to compute MS/MS fragment masses for over 60 lipid classes. LipidCreator provides all functionalities needed to define fragments, manage stable isotope labeling, optimize collision energy and generate in silico spectral libraries. We validate LipidCreator assays computationally and analytically and prove that it is capable to generate large targeted experiments to analyze blood and to dissect lipid-signaling pathways such as in human platelets.</p><p><br></p><p>In MTBLS1334, 55 lipid mediator standards were used to study the lipid fragmentation on the Agilent QTof 6545 MS platform (Agilent Technologies, Waldbronn, Germany), build optimal collision energy models and create an in-silico spectral library for use with LipidCreator. Lipid fragment masses of mediators were validated with the Metlin database (https://metlin.scripps.edu/).</p><p><br></p><p>Studies linked to this manuscript include;</p><p><a href='https://www.ebi.ac.uk/metabolights/mtbls1333' rel='noopener noreferrer' target='_blank'>MTBLS1333; LipidCreator: Collision Energy Optimization and Fragment Intensity Prediction for Lipid Mediators - Thermo QExactive HF</a></p><p><a href='https://www.ebi.ac.uk/metabolights/mtbls1334' rel='noopener noreferrer' target='_blank'>MTBLS1334; LipidCreator: Collision Energy Optimization and Fragment Intensity Prediction for Lipid Mediators - Agilent QTof</a></p><p><a href='https://www.ebi.ac.uk/metabolights/mtbls1369' rel='noopener noreferrer' target='_blank'>MTBLS1369; LipidCreator: Platelet isolation and stimulation - Targeted Phospho- and Glycerolipid Profiling</a></p><p><a href='https://www.ebi.ac.uk/metabolights/mtbls1375' rel='noopener noreferrer' target='_blank'>MTBLS1375; LipidCreator: Targeted lipidomics analysis of Human Plasma samples and comparison with NIST SRM 1950 standard</a></p><p><a href='https://www.ebi.ac.uk/metabolights/mtbls1376' rel='noopener noreferrer' target='_blank'>MTBLS1376; LipidCreator: Targeted lipidomics analysis of S. cerevisiae to determine true and false identification</a></p><p><a href='https://www.ebi.ac.uk/metabolights/mtbls1381' rel='noopener noreferrer' target='_blank'>MTBLS1381; LipidCreator: Platelet isolation and stimulation - Targeted Lipid Mediator Profiling</a></p><p><a href='https://www.ebi.ac.uk/metabolights/mtbls1382' rel='noopener noreferrer' target='_blank'>MTBLS1382; LipidCreator: Platelet isolation and stimulation - DIA Lipid Mediator Validation</a></p>
2020-07-14 | MSV000085747 | GNPS
Project description:<p>Here we present LipidCreator, a software that fully supports targeted lipidomics assay development. LipidCreator offers a comprehensive framework to compute MS/MS fragment masses for over 60 lipid classes. LipidCreator provides all functionalities needed to define fragments, manage stable isotope labeling, optimize collision energy and generate in silico spectral libraries. We validate LipidCreator assays computationally and analytically and prove that it is capable to generate large targeted experiments to analyze blood and to dissect lipid-signaling pathways such as in human platelets.</p><p><br></p><p>In MTBLS1382, to validate lipid mediator species identified with the Qtrap instrument (<a href='https://www.ebi.ac.uk/metabolights/MTBLS1381' rel='noopener noreferrer' target='_blank'>https://www.ebi.ac.uk/metabolights/MTBLS1381</a>), the Thermo QEx HF was used to perform high resolution MS full scan (HR-FS) and data independent acquisition (DIA) analyses between 200-400 m/z with a 20 m/z step size. DIA method preparation and data analysis were performed with Skyline. We used LipidCreator as an external tool in Skyline to generate a collision-energy specific transition list for the mediators 12-HETE, 13-HODE, 15-HETE, arachidonic acid (AA),<strong> </strong>docosahexaenoic acid (DHA), eicosapentaenoic acid (EPA) and thromboxane B2 (TXB2) and their deuterated counterparts 12-HETE-d8, 13-HODE-d4, 15-HETE-d8, AA-d8, DHA-d5, EPA-d5 and TXB2-d4, at a normalized collision energy NCE=21. We also used LipidCreator's relative fragment intensity prediction model to generate a custom spectral library for the light and heavy mediators. We transfered both the transition list and the spectral library directly from LipidCreator to Skyline and exported the dot product values after manual fragment peaks review.</p><p><br></p><p>Studies linked to this manuscript include;</p><p><a href='https://www.ebi.ac.uk/metabolights/MTBLS1333' rel='noopener noreferrer' target='_blank'>MTBLS1333; LipidCreator: Collision Energy Optimization and Fragment Intensity Prediction for Lipid Mediators - Thermo QExactive HF</a></p><p><a href='https://www.ebi.ac.uk/metabolights/MTBLS1334' rel='noopener noreferrer' target='_blank'>MTBLS1334; LipidCreator: Collision Energy Optimization and Fragment Intensity Prediction for Lipid Mediators - Agilent QTof</a></p><p><a href='https://www.ebi.ac.uk/metabolights/MTBLS1369' rel='noopener noreferrer' target='_blank'>MTBLS1369; LipidCreator: Platelet isolation and stimulation - Targeted Phospho- and Glycerolipid Profiling</a></p><p><a href='https://www.ebi.ac.uk/metabolights/MTBLS1375' rel='noopener noreferrer' target='_blank'>MTBLS1375; LipidCreator: Targeted lipidomics analysis of Human Plasma samples and comparison with NIST SRM 1950 standard</a></p><p><a href='https://www.ebi.ac.uk/metabolights/MTBLS1376' rel='noopener noreferrer' target='_blank'>MTBLS1376; LipidCreator: Targeted lipidomics analysis of S. cerevisiae to determine true and false identification</a></p><p><a href='https://www.ebi.ac.uk/metabolights/MTBLS1381' rel='noopener noreferrer' target='_blank'>MTBLS1381; LipidCreator: Platelet isolation and stimulation - Targeted Lipid Mediator Profiling</a></p><p><a href='https://www.ebi.ac.uk/metabolights/MTBLS1382' rel='noopener noreferrer' target='_blank'>MTBLS1382; LipidCreator: Platelet isolation and stimulation - DIA Lipid Mediator Validation</a></p>
2020-06-26 | MSV000085632 | GNPS
Project description:<p>Here we present LipidCreator, a software that fully supports targeted lipidomics assay development. LipidCreator offers a comprehensive framework to compute MS/MS fragment masses for over 60 lipid classes. LipidCreator provides all functionalities needed to define fragments, manage stable isotope labeling, optimize collision energy and generate in silico spectral libraries. We validate LipidCreator assays computationally and analytically and prove that it is capable to generate large targeted experiments to analyze blood and to dissect lipid-signaling pathways such as in human platelets.</p><p><br></p><p>In MTBLS1381, to validate the performance and accuracy of the transition lists provided by LipidCreator and their applicabability on other MS platforms, we used the transition lists for targeted profiling of lipid mediators in human platelet material. Platelets were stimulated with 0.01 U/ml thrombin, 1 U/ml thrombin, 1 µg/ml CRP or 5 µg/ml CRP for 5 min. The MS profiling of unstimulated and stimulated platelet material (pellet and supernatant) was performed after HPLC separation on an AB Sciex QTrap 6500 (Applied Biosystems, Darmstadt, Germany) in negative mode. Samples were measured in triplicates, interspersed with blank and standard runs.</p><p><br></p><p>Studies linked to this manuscript include;</p><p><a href='https://www.ebi.ac.uk/metabolights/MTBLS1333' rel='noopener noreferrer' target='_blank'>MTBLS1333; LipidCreator: Collision Energy Optimization and Fragment Intensity Prediction for Lipid Mediators - Thermo QExactive HF</a></p><p><a href='https://www.ebi.ac.uk/metabolights/MTBLS1334' rel='noopener noreferrer' target='_blank'>MTBLS1334; LipidCreator: Collision Energy Optimization and Fragment Intensity Prediction for Lipid Mediators - Agilent QTof</a></p><p><a href='https://www.ebi.ac.uk/metabolights/MTBLS1369' rel='noopener noreferrer' target='_blank'>MTBLS1369; LipidCreator: Platelet isolation and stimulation - Targeted Phospho- and Glycerolipid Profiling</a></p><p><a href='https://www.ebi.ac.uk/metabolights/MTBLS1375' rel='noopener noreferrer' target='_blank'>MTBLS1375; LipidCreator: Targeted lipidomics analysis of Human Plasma samples and comparison with NIST SRM 1950 standard</a></p><p><a href='https://www.ebi.ac.uk/metabolights/MTBLS1376' rel='noopener noreferrer' target='_blank'>MTBLS1376; LipidCreator: Targeted lipidomics analysis of S. cerevisiae to determine true and false identification</a></p><p><a href='https://www.ebi.ac.uk/metabolights/MTBLS1381' rel='noopener noreferrer' target='_blank'>MTBLS1381; LipidCreator: Platelet isolation and stimulation - Targeted Lipid Mediator Profiling</a></p><p><a href='https://www.ebi.ac.uk/metabolights/MTBLS1382' rel='noopener noreferrer' target='_blank'>MTBLS1382; LipidCreator: Platelet isolation and stimulation - DIA Lipid Mediator Validation</a></p>
2020-07-14 | MSV000085743 | GNPS
Project description:Blue mussel larvae were fed, in a first group, a balanced diet of essential fatty acids (EFAs) provided by a cocktail diet (COC) from three algal species. Larvae were cultured in three separate tanks from hatching, 0 day post-fertilization (DPF) until 42 DPF. Treated larvae were fed a deficient diet (Tiso) that contains low levels of arachidonic acid (AA) and eicosapentaenoic acid (EPA), two EFAs necessary for larval development, performance, and survival. The goal is to identify coordinated patterns of gene expression and understand their predictive function in relation to growth and mortality during early developmental stages of the blue mussel Mytilus edulis. In order to understand the mechanisms by which growth and survival drive an organism to the full range of its adaptation, we de novo assembled of the mussel transcriptome during early development using next-generation sequencing (NGS) technology, then designed customized microarrays targeting every developmental stage, which encompass major transitions in tissue organization of the fast-evolved blue mussel
2014-08-31 | GSE55580 | GEO
Project description:<p>Here we present LipidCreator, a software that fully supports targeted lipidomics assay development. LipidCreator offers a comprehensive framework to compute MS/MS fragment masses for over 60 lipid classes. LipidCreator provides all functionalities needed to define fragments, manage stable isotope labeling, optimize collision energy and generate in silico spectral libraries. We validate LipidCreator assays computationally and analytically and prove that it is capable to generate large targeted experiments to analyze blood and to dissect lipid-signaling pathways such as in human platelets.</p><p><br></p><p>In MTBLS1376, to validate the performance and accuracy of the transition lists provided by LipidCreator, we validated our theoretical calculations and the transition lists computed by LipidCreator experimentally, monitoring true and false targets on the model organism Saccharomyces <em>cerevisiae</em>. The lipidome of the yeast S. <em>cerevisiae</em> is well described and has been thoroughly investigated before. It has a limited number of fatty acyls and double bonds, and certain fatty acyls and lipid classes do not occur in it, which is important for our consecutive false identification calculations. Therefore, the yeast matrix from the theoretical calculation, 21 target lipids and 21 decoy lipids from commercially available lipid standards that are known to not be present in the yeast lipidome were selected. Based on our previous results, none of the lipid species was redundant among all three sets.</p><p><br></p><p>Studies linked to this manuscript include;</p><p><a href='https://www.ebi.ac.uk/metabolights/MTBLS1333' rel='noopener noreferrer' target='_blank'>MTBLS1333; LipidCreator: Collision Energy Optimization and Fragment Intensity Prediction for Lipid Mediators - Thermo QExactive HF</a></p><p><a href='https://www.ebi.ac.uk/metabolights/MTBLS1334' rel='noopener noreferrer' target='_blank'>MTBLS1334; LipidCreator: Collision Energy Optimization and Fragment Intensity Prediction for Lipid Mediators - Agilent QTof</a></p><p><a href='https://www.ebi.ac.uk/metabolights/MTBLS1369' rel='noopener noreferrer' target='_blank'>MTBLS1369; LipidCreator: Platelet isolation and stimulation - Targeted Phospho- and Glycerolipid Profiling</a></p><p><a href='https://www.ebi.ac.uk/metabolights/MTBLS1375' rel='noopener noreferrer' target='_blank'>MTBLS1375; LipidCreator: Targeted lipidomics analysis of Human Plasma samples and comparison with NIST SRM 1950 standard</a></p><p><a href='https://www.ebi.ac.uk/metabolights/MTBLS1376' rel='noopener noreferrer' target='_blank'>MTBLS1376; LipidCreator: Targeted lipidomics analysis of S. cerevisiae to determine true and false identification</a></p><p><a href='https://www.ebi.ac.uk/metabolights/MTBLS1381' rel='noopener noreferrer' target='_blank'>MTBLS1381; LipidCreator: Platelet isolation and stimulation - Targeted Lipid Mediator Profiling</a></p><p><a href='https://www.ebi.ac.uk/metabolights/MTBLS1382' rel='noopener noreferrer' target='_blank'>MTBLS1382; LipidCreator: Platelet isolation and stimulation - DIA Lipid Mediator Validation</a></p>
2020-07-31 | MSV000085865 | GNPS