The parameters used for metabolite identification are below.
Retention Time Tolerance for CIL Library ID: 30 seconds
Retention Time Tolerance for LI Library ID: 205 seconds
Mass Tolerance for CIL Library ID: 10 ppm
Mass Tolerance for LI Library ID: 10 ppm
Mass Tolerance for Mass-Based Database ID: 10 ppm
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - positive - reverse phase"],"chromatography_protocol":["Instrument: Thermo Vanquish UHPLC System
Column: Agilent eclipse plus reversed-phase C18 column (150 x 2.1 mm, 1.8 μm particle size)
MPA: 0.1% (v/v) formic acid in water
MPB: 0.1% (v/v) formic acid in acetonitrile
Gradient: t = 0 min, 25% B; t = 10 min, 99% B; t = 13 min, 99% B; t = 13.1 min, 25% B; t=16 min, 25% B
Flow Rate: 400 μL/min
Column Oven Temperature: 40 °C
Mass Range: m/z 220-1000
Acquisition Rate: 1 Hz
"],"publication":["Metabolomic profiling reveals pipecolic acid-related pathways involved in Rlm1-mediated resistance in Canola."],"submitter_name":["Sicheng Quan"],"submitter_affiliation":["University of Alberta"],"organism_part":["cotyledon"],"technology_type":["mass spectrometry"],"disease":[""],"extraction_protocol":["4 mL of methanol per gram of tissue and 1 mL of water per gram of tissue were added to the tubes containing pre-weighed plant samples. The sample tubes were then vortexed for 15 s. 700 μL of mixture from each sample was transferred to 2-mL Eppendorf tubes, which contain preloaded ceramic beads (2.8 mm). Each of the sample was then homogenized for 15 seconds using Bioprep-24 homogenizer (Allsheng, China). After incubated in -20 °C freezer for 10 min, the samples were finally centrifuged at 15,000 g for 10 min at 4 °C. The supernatants were transferred into new vials and were used for metabolomic analysis.
"],"organism":["Canola Oil"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS12542"],"author":["Gary Peng. gary.peng@agr.gc.ca.","Xiaohan Zhu. Saskatoon Research and Development Center, Agriculture and Agri-Food Canada. huhu772@hotmail.com."],"data_transformation_protocol":["LC-MS data (.raw file, in profile mode) were first exported to .txt file with Proteowizard MSConvert. The exported data were uploaded to IsoMS Pro 1.2.5. After Format Conversion, Data Quality Check and Data Processing were performed. Parameters used for data processing are below.
Minimum m/z: 240
Maximum m/z: 1000
Saturation Intensity: 5000000000
Retention Time Tolerance: 22 seconds
Mass Tolerance: 10 ppm
"],"study_factor":["Timepoint"],"submitter_email":["quan@ualberta.ca"],"sample_collection_protocol":["Canola cotyledon infected by L. maculans, samples were collected at 3,7,11 days after infection.
"],"omics_type":["Metabolomics"],"study_design":["ultra-performance liquid chromatography-mass spectrometry","untargeted metabolites","Canola Oil"],"curator_keywords":["ultra-performance liquid chromatography-mass spectrometry","untargeted metabolites","Canola Oil"],"mass_spectrometry_protocol":["Instrument: Thermo Q Exactive Orbitrap MS
Column: Agilent eclipse plus reversed-phase C18 column (150 x 2.1 mm, 1.8 μm particle size)
MPA: 0.1% (v/v) formic acid in water
MPB: 0.1% (v/v) formic acid in acetonitrile
Gradient: t = 0 min, 25% B; t = 10 min, 99% B; t = 13 min, 99% B; t = 13.1 min, 25% B; t=16 min, 25% B
Flow Rate: 400 μL/min
Column Oven Temperature: 40 °C
Mass Range: m/z 220-1000
Acquisition Rate: 1 Hz
"],"metabolite_name":["Salicylic acid","Diaminopimelic acid","Gentisic acid","Lysine","Pipecolic acid","Caffeic acid","Glutathione","Ferulic acid"],"additional_accession":[]},"is_claimable":false,"name":"Metabolomic profiling reveals pipecolic acid-related pathways involved in Rlm1-mediated resistance in Canola","description":"Study of pipecolic acid-related pathways involved in Rlm1-mediated resistance in Canola
","dates":{"publication":"2025-07-04","submission":"2025-05-29"},"accession":"MTBLS12542","cross_references":{"MetaboLights":["MTBLC17964","MTBLC16914","MTBLC17189","MTBLC16856","MTBLC25094","MTBLC23673","MTBLC193350","MTBLC36281"],"ChEBI":["CHEBI:17964","CHEBI:16914","CHEBI:17189","CHEBI:16856","CHEBI:25094","CHEBI:23673","CHEBI:193350","CHEBI:36281"]}}