Dataset Information

PNACIC LC-IMS-MS/MS Internal Standards

ABSTRACT: Samples containing stable isotope-labeled internal standards added to plasma and liver samples. Standards were obtained from a mix of NIH standards representing nine metabolite classes and the QreSS kit from Cambridge Isotope Laboratories (MA, USA). The samples were chromatographically separated using hydrophilic interaction liquid chromatography (HILIC) and reversed-phase liquid chromatography (RPLC) chemistries in separate injections. The LC system was coupled to an Agilent 6560 ion mobility quadrupole time of flight mass spectrometer (Agilent Technologies, CA, USA), and the standards were analyzed in both positive and negative ionization mode. The MS/MS data were acquired at collision energies of 10, 20, and 40eV using an all-ions fragmentation approach with frames alternating between high and low fragmentation using a mass range of 50-1500 m/z.

INSTRUMENT(S): 6560 Q-TOF LC/MS

ORGANISM(S): Not Applicable

SUBMITTER: Thomas O. Metz

PROVIDER: MSV000095531 | MassIVE | Tue Aug 06 18:16:00 BST 2024

REPOSITORIES: MassIVE

ACCESS DATA

Dataset's files

Source:

			Action	DRS
		Other

Items per page:

1 - 1 of 1

Similar Datasets

Project description: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. 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/). Studies linked to this manuscript include;<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><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><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><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><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><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><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>

Dataset Information

PNACIC LC-IMS-MS/MS Internal Standards

Dataset's files

Similar Datasets

OmicsDI is part of the ELIXIR infrastructure

Tweets