{ "METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001293","ANALYSIS_ID":"AN002151","VERSION":"1","CREATED_ON":"December 22, 2019, 4:06 pm"}, "PROJECT":{"PROJECT_TITLE":"Metabolomic profiling of fungal pathogens responsible for root rot in American ginseng","PROJECT_SUMMARY":"Ginseng root is an economically valuable crop in Canada at high risk of yield loss caused by the pathogenic fungus Ilyonectria mors-panacis, formerly known as Cylindrocarpon destructans. While this pathogen has been well-characterized from morphological and genetic perspectives, little is known the secondary metabolites it produces and their role in pathogenicity. We used an untargeted LC-MS/MS-based approach paired with global natural products social molecular networking (GNPS) to compare the metabolite profiles of virulent and avirulent Ilyonectria strains. The ethyl acetate liquid culture extracts of 22 I. mors-panacis strains and closely related species were analyzed by LC-MS/MS. Principal component analysis of LC-MS features resulted in two distinct groups, which corresponded to virulent and avirulent Ilyonectria strains. Virulent strains produced more types of compounds than the avirulent strains. The previously reported I. mors-panacis antifungal compound radicicol was present. Additionally, a number of related resorcyclic acid lactones (RALs) were putatively identified, namely pochonins and several additional derivatives of radicicol. Pochonins have not been previously reported in Ilyonectria spp. and have documented antimicrobial activity. This research contributes to our understanding of I. mors-panacis natural products and its pathogenic relationship with ginseng.","INSTITUTE":"Agriculture and Agri-Food Canada","LAST_NAME":"Renaud","FIRST_NAME":"Justin","ADDRESS":"1391 Sandford Street, London, Ontario, LN5V 4T3, Canada","EMAIL":"justin.renaud@agr.gc.ca","PHONE":"519-953-6698"}, "STUDY":{"STUDY_TITLE":"Determining secondary metabolite profile of Ilyonectria spp. pathogenic to ginseng root","STUDY_SUMMARY":"This experiment aims to ascertain a profile of secondary metabolites produced by Ilyonectria species capable of causing disappearing root rot in ginseng. Ilyonectria isolates were grown on potato dextrose agar for 20 days, then plugs were taken from the cultures and extracted with ethyl acetate. Extracts were analyzed by LC-HRMS and tandem HRMS. Data were analyzed by Principal component analysis and molecular networking with GNPS.","INSTITUTE":"Agriculture and Agri-Food Canada","LAST_NAME":"Renaud","FIRST_NAME":"Justin","ADDRESS":"1391 Sandford Street, London, Ontario, LN5V 4T3, Canada","EMAIL":"justin.renaud@agr.gc.ca","PHONE":"519-953-6698","TOTAL_SUBJECTS":"22"}, "SUBJECT":{"SUBJECT_TYPE":"Fungi","SUBJECT_SPECIES":"Ilyonectria mors-panacis;Ilyonectria rufa;Ilyonectria robusta;Ilyonectria torresensis;Ilyonectria estremocensis;Neonectria obtusispora Ilyonectria mors-panacis;Ilyonectria rufa;Ilyonectria robusta;Ilyonectria torresensis;Ilyonectria estremocensis;Neonectria obtusispora"}, "SUBJECT_SAMPLE_FACTORS":[ { "Subject ID":"-", "Sample ID":"139398_Ilyonectria_robusta-140KfullMSneg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"139398_Ilyonectria_robusta-140KfullMSneg.raw"} }, { "Subject ID":"-", "Sample ID":"139398_Ilyonectria_robusta-140KfullMSpos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"139398_Ilyonectria_robusta-140KfullMSpos.raw"} }, { "Subject ID":"-", "Sample ID":"139398_Ilyonectria_robusta-MS2neg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"139398_Ilyonectria_robusta-MS2neg.raw"} }, { "Subject ID":"-", "Sample ID":"139398_Ilyonectria_robusta-MS2pos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"139398_Ilyonectria_robusta-MS2pos.raw"} }, { "Subject ID":"-", "Sample ID":"144524_Ilyonectria_torresensis-140KfullMSneg", "Factors":{"Virulence":"Avirulent"}, "Additional sample data":{"RAW_FILE_NAME":"144524_Ilyonectria_torresensis-140KfullMSneg.raw"} }, { "Subject ID":"-", "Sample ID":"144524_Ilyonectria_torresensis-140KfullMSpos", "Factors":{"Virulence":"Avirulent"}, "Additional sample data":{"RAW_FILE_NAME":"144524_Ilyonectria_torresensis-140KfullMSpos.raw"} }, { "Subject ID":"-", "Sample ID":"144524_Ilyonectria_torresensis-MS2neg", "Factors":{"Virulence":"Avirulent"}, "Additional sample data":{"RAW_FILE_NAME":"144524_Ilyonectria_torresensis-MS2neg.raw"} }, { "Subject ID":"-", "Sample ID":"144524_Ilyonectria_torresensis-MS2pos", "Factors":{"Virulence":"Avirulent"}, "Additional sample data":{"RAW_FILE_NAME":"144524_Ilyonectria_torresensis-MS2pos.raw"} }, { "Subject ID":"-", "Sample ID":"220159_Ilyonectria_mors-panacis-140KfullMSneg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"220159_Ilyonectria_mors-panacis-140KfullMSneg.raw"} }, { "Subject ID":"-", "Sample ID":"220159_Ilyonectria_mors-panacis-140KfullMSpos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"220159_Ilyonectria_mors-panacis-140KfullMSpos.raw"} }, { "Subject ID":"-", "Sample ID":"220159_Ilyonectria_mors-panacis-MS2neg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"220159_Ilyonectria_mors-panacis-MS2neg.raw"} }, { "Subject ID":"-", "Sample ID":"220159_Ilyonectria_mors-panacis-MS2pos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"220159_Ilyonectria_mors-panacis-MS2pos.raw"} }, { "Subject ID":"-", "Sample ID":"226721_Ilyonectria_rufa-140KfullMSneg", "Factors":{"Virulence":"Avirulent"}, "Additional sample data":{"RAW_FILE_NAME":"226721_Ilyonectria_rufa-140KfullMSneg.raw"} }, { "Subject ID":"-", "Sample ID":"226721_Ilyonectria_rufa-140KfullMSpos", "Factors":{"Virulence":"Avirulent"}, "Additional sample data":{"RAW_FILE_NAME":"226721_Ilyonectria_rufa-140KfullMSpos.raw"} }, { "Subject ID":"-", "Sample ID":"226721_Ilyonectria_rufa-MS2neg", "Factors":{"Virulence":"Avirulent"}, "Additional sample data":{"RAW_FILE_NAME":"226721_Ilyonectria_rufa-MS2neg.raw"} }, { "Subject ID":"-", "Sample ID":"226721_Ilyonectria_rufa-MS2pos", "Factors":{"Virulence":"Avirulent"}, "Additional sample data":{"RAW_FILE_NAME":"226721_Ilyonectria_rufa-MS2pos.raw"} }, { "Subject ID":"-", "Sample ID":"226727_Ilyonectria_mors-panacis-140KfullMSneg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"226727_Ilyonectria_mors-panacis-140KfullMSneg.raw"} }, { "Subject ID":"-", "Sample ID":"226727_Ilyonectria_mors-panacis-140KfullMSpos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"226727_Ilyonectria_mors-panacis-140KfullMSpos.raw"} }, { "Subject ID":"-", "Sample ID":"226727_Ilyonectria_mors-panacis-MS2neg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"226727_Ilyonectria_mors-panacis-MS2neg.raw"} }, { "Subject ID":"-", "Sample ID":"226727_Ilyonectria_mors-panacis-MS2pos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"226727_Ilyonectria_mors-panacis-MS2pos.raw"} }, { "Subject ID":"-", "Sample ID":"226729_Ilyonectria_robusta-140KfullMSneg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"226729_Ilyonectria_robusta-140KfullMSneg.raw"} }, { "Subject ID":"-", "Sample ID":"226729_Ilyonectria_robusta-140KfullMSpos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"226729_Ilyonectria_robusta-140KfullMSpos.raw"} }, { "Subject ID":"-", "Sample ID":"226729_Ilyonectria_robusta-MS2neg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"226729_Ilyonectria_robusta-MS2neg.raw"} }, { "Subject ID":"-", "Sample ID":"226729_Ilyonectria_robusta-MS2pos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"226729_Ilyonectria_robusta-MS2pos.raw"} }, { "Subject ID":"-", "Sample ID":"226730_Ilyonectria_estremocensis-140KfullMSneg", "Factors":{"Virulence":"Avirulent"}, "Additional sample data":{"RAW_FILE_NAME":"226730_Ilyonectria_estremocensis-140KfullMSneg.raw"} }, { "Subject ID":"-", "Sample ID":"226730_Ilyonectria_estremocensis-140KfullMSpos", "Factors":{"Virulence":"Avirulent"}, "Additional sample data":{"RAW_FILE_NAME":"226730_Ilyonectria_estremocensis-140KfullMSpos.raw"} }, { "Subject ID":"-", "Sample ID":"226730_Ilyonectria_estremocensis-MS2neg", "Factors":{"Virulence":"Avirulent"}, "Additional sample data":{"RAW_FILE_NAME":"226730_Ilyonectria_estremocensis-MS2neg.raw"} }, { "Subject ID":"-", "Sample ID":"226730_Ilyonectria_estremocensis-MS2pos", "Factors":{"Virulence":"Avirulent"}, "Additional sample data":{"RAW_FILE_NAME":"226730_Ilyonectria_estremocensis-MS2pos.raw"} }, { "Subject ID":"-", "Sample ID":"230337_Ilyonectria_mors-panacis-140KfullMSneg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"230337_Ilyonectria_mors-panacis-140KfullMSneg.raw"} }, { "Subject ID":"-", "Sample ID":"230337_Ilyonectria_mors-panacis-140KfullMSpos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"230337_Ilyonectria_mors-panacis-140KfullMSpos.raw"} }, { "Subject ID":"-", "Sample ID":"230337_Ilyonectria_mors-panacis-MS2neg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"230337_Ilyonectria_mors-panacis-MS2neg.raw"} }, { "Subject ID":"-", "Sample ID":"230337_Ilyonectria_mors-panacis-MS2pos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"230337_Ilyonectria_mors-panacis-MS2pos.raw"} }, { "Subject ID":"-", "Sample ID":"230338_Ilyonectria_mors-panacis-140KfullMSneg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"230338_Ilyonectria_mors-panacis-140KfullMSneg.raw"} }, { "Subject ID":"-", "Sample ID":"230338_Ilyonectria_mors-panacis-140KfullMSpos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"230338_Ilyonectria_mors-panacis-140KfullMSpos.raw"} }, { "Subject ID":"-", "Sample ID":"230338_Ilyonectria_mors-panacis-MS2neg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"230338_Ilyonectria_mors-panacis-MS2neg.raw"} }, { "Subject ID":"-", "Sample ID":"230338_Ilyonectria_mors-panacis-MS2pos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"230338_Ilyonectria_mors-panacis-MS2pos.raw"} }, { "Subject ID":"-", "Sample ID":"234582_Ilyonectria_mors-panacis-140KfullMSneg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"234582_Ilyonectria_mors-panacis-140KfullMSneg.raw"} }, { "Subject ID":"-", "Sample ID":"234582_Ilyonectria_mors-panacis-140KfullMSpos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"234582_Ilyonectria_mors-panacis-140KfullMSpos.raw"} }, { "Subject ID":"-", "Sample ID":"234582_Ilyonectria_mors-panacis-MS2neg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"234582_Ilyonectria_mors-panacis-MS2neg.raw"} }, { "Subject ID":"-", "Sample ID":"234582_Ilyonectria_mors-panacis-MS2pos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"234582_Ilyonectria_mors-panacis-MS2pos.raw"} }, { "Subject ID":"-", "Sample ID":"251601_Ilyonectria_mors-panacis-140KfullMSneg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251601_Ilyonectria_mors-panacis-140KfullMSneg.raw"} }, { "Subject ID":"-", "Sample ID":"251601_Ilyonectria_mors-panacis-140KfullMSpos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251601_Ilyonectria_mors-panacis-140KfullMSpos.raw"} }, { "Subject ID":"-", "Sample ID":"251601_Ilyonectria_mors-panacis-MS2neg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251601_Ilyonectria_mors-panacis-MS2neg.raw"} }, { "Subject ID":"-", "Sample ID":"251601_Ilyonectria_mors-panacis-MS2pos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251601_Ilyonectria_mors-panacis-MS2pos.raw"} }, { "Subject ID":"-", "Sample ID":"251602_Ilyonectria_mors-panacis-140KfullMSneg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251602_Ilyonectria_mors-panacis-140KfullMSneg.raw"} }, { "Subject ID":"-", "Sample ID":"251602_Ilyonectria_mors-panacis-140KfullMSpos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251602_Ilyonectria_mors-panacis-140KfullMSpos.raw"} }, { "Subject ID":"-", "Sample ID":"251602_Ilyonectria_mors-panacis-MS2neg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251602_Ilyonectria_mors-panacis-MS2neg.raw"} }, { "Subject ID":"-", "Sample ID":"251602_Ilyonectria_mors-panacis-MS2pos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251602_Ilyonectria_mors-panacis-MS2pos.raw"} }, { "Subject ID":"-", "Sample ID":"251603_Ilyonectria_mors-panacis-140KfullMSneg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251603_Ilyonectria_mors-panacis-140KfullMSneg.raw"} }, { "Subject ID":"-", "Sample ID":"251603_Ilyonectria_mors-panacis-140KfullMSpos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251603_Ilyonectria_mors-panacis-140KfullMSpos.raw"} }, { "Subject ID":"-", "Sample ID":"251603_Ilyonectria_mors-panacis-MS2neg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251603_Ilyonectria_mors-panacis-MS2neg.raw"} }, { "Subject ID":"-", "Sample ID":"251603_Ilyonectria_mors-panacis-MS2pos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251603_Ilyonectria_mors-panacis-MS2pos.raw"} }, { "Subject ID":"-", "Sample ID":"251604_Ilyonectria_mors-panacis-140KfullMSneg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251604_Ilyonectria_mors-panacis-140KfullMSneg.raw"} }, { "Subject ID":"-", "Sample ID":"251604_Ilyonectria_mors-panacis-140KfullMSpos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251604_Ilyonectria_mors-panacis-140KfullMSpos.raw"} }, { "Subject ID":"-", "Sample ID":"251604_Ilyonectria_mors-panacis-MS2neg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251604_Ilyonectria_mors-panacis-MS2neg.raw"} }, { "Subject ID":"-", "Sample ID":"251604_Ilyonectria_mors-panacis-MS2pos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251604_Ilyonectria_mors-panacis-MS2pos.raw"} }, { "Subject ID":"-", "Sample ID":"251605_Ilyonectria_mors-panacis-140KfullMSneg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251605_Ilyonectria_mors-panacis-140KfullMSneg.raw"} }, { "Subject ID":"-", "Sample ID":"251605_Ilyonectria_mors-panacis-140KfullMSpos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251605_Ilyonectria_mors-panacis-140KfullMSpos.raw"} }, { "Subject ID":"-", "Sample ID":"251605_Ilyonectria_mors-panacis-MS2neg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251605_Ilyonectria_mors-panacis-MS2neg.raw"} }, { "Subject ID":"-", "Sample ID":"251605_Ilyonectria_mors-panacis-MS2pos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251605_Ilyonectria_mors-panacis-MS2pos.raw"} }, { "Subject ID":"-", "Sample ID":"251606_Ilyonectria_mors-panacis-140KfullMSneg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251606_Ilyonectria_mors-panacis-140KfullMSneg.raw"} }, { "Subject ID":"-", "Sample ID":"251606_Ilyonectria_mors-panacis-140KfullMSpos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251606_Ilyonectria_mors-panacis-140KfullMSpos.raw"} }, { "Subject ID":"-", "Sample ID":"251606_Ilyonectria_mors-panacis-MS2neg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251606_Ilyonectria_mors-panacis-MS2neg.raw"} }, { "Subject ID":"-", "Sample ID":"251606_Ilyonectria_mors-panacis-MS2pos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251606_Ilyonectria_mors-panacis-MS2pos.raw"} }, { "Subject ID":"-", "Sample ID":"251607_Ilyonectria_mors-panacis-140KfullMSneg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251607_Ilyonectria_mors-panacis-140KfullMSneg.raw"} }, { "Subject ID":"-", "Sample ID":"251607_Ilyonectria_mors-panacis-140KfullMSpos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251607_Ilyonectria_mors-panacis-140KfullMSpos.raw"} }, { "Subject ID":"-", "Sample ID":"251607_Ilyonectria_mors-panacis-MS2neg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251607_Ilyonectria_mors-panacis-MS2neg.raw"} }, { "Subject ID":"-", "Sample ID":"251607_Ilyonectria_mors-panacis-MS2pos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251607_Ilyonectria_mors-panacis-MS2pos.raw"} }, { "Subject ID":"-", "Sample ID":"251608_Ilyonectria_rufa-140KfullMSneg", "Factors":{"Virulence":"Avirulent"}, "Additional sample data":{"RAW_FILE_NAME":"251608_Ilyonectria_rufa-140KfullMSneg.raw"} }, { "Subject ID":"-", "Sample ID":"251608_Ilyonectria_rufa-140KfullMSpos", "Factors":{"Virulence":"Avirulent"}, "Additional sample data":{"RAW_FILE_NAME":"251608_Ilyonectria_rufa-140KfullMSpos.raw"} }, { "Subject ID":"-", "Sample ID":"251608_Ilyonectria_rufa-MS2neg", "Factors":{"Virulence":"Avirulent"}, "Additional sample data":{"RAW_FILE_NAME":"251608_Ilyonectria_rufa-MS2neg.raw"} }, { "Subject ID":"-", "Sample ID":"251608_Ilyonectria_rufa-MS2pos", "Factors":{"Virulence":"Avirulent"}, "Additional sample data":{"RAW_FILE_NAME":"251608_Ilyonectria_rufa-MS2pos.raw"} }, { "Subject ID":"-", "Sample ID":"251609_Ilyonectria_rufa-140KfullMSneg", "Factors":{"Virulence":"Avirulent"}, "Additional sample data":{"RAW_FILE_NAME":"251609_Ilyonectria_rufa-140KfullMSneg.raw"} }, { "Subject ID":"-", "Sample ID":"251609_Ilyonectria_rufa-140KfullMSpos", "Factors":{"Virulence":"Avirulent"}, "Additional sample data":{"RAW_FILE_NAME":"251609_Ilyonectria_rufa-140KfullMSpos.raw"} }, { "Subject ID":"-", "Sample ID":"251609_Ilyonectria_rufa-MS2neg", "Factors":{"Virulence":"Avirulent"}, "Additional sample data":{"RAW_FILE_NAME":"251609_Ilyonectria_rufa-MS2neg.raw"} }, { "Subject ID":"-", "Sample ID":"251609_Ilyonectria_rufa-MS2pos", "Factors":{"Virulence":"Avirulent"}, "Additional sample data":{"RAW_FILE_NAME":"251609_Ilyonectria_rufa-MS2pos.raw"} }, { "Subject ID":"-", "Sample ID":"251610_Ilyonectria_mors-panacis-140KfullMSneg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251610_Ilyonectria_mors-panacis-140KfullMSneg.raw"} }, { "Subject ID":"-", "Sample ID":"251610_Ilyonectria_mors-panacis-140KfullMSpos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251610_Ilyonectria_mors-panacis-140KfullMSpos.raw"} }, { "Subject ID":"-", "Sample ID":"251610_Ilyonectria_mors-panacis-MS2neg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251610_Ilyonectria_mors-panacis-MS2neg.raw"} }, { "Subject ID":"-", "Sample ID":"251610_Ilyonectria_mors-panacis-MS2pos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251610_Ilyonectria_mors-panacis-MS2pos.raw"} }, { "Subject ID":"-", "Sample ID":"251611_Ilyonectria_mors-panacis-140KfullMSneg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251611_Ilyonectria_mors-panacis-140KfullMSneg.raw"} }, { "Subject ID":"-", "Sample ID":"251611_Ilyonectria_mors-panacis-140KfullMSpos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251611_Ilyonectria_mors-panacis-140KfullMSpos.raw"} }, { "Subject ID":"-", "Sample ID":"251611_Ilyonectria_mors-panacis-MS2neg", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251611_Ilyonectria_mors-panacis-MS2neg.raw"} }, { "Subject ID":"-", "Sample ID":"251611_Ilyonectria_mors-panacis-MS2pos", "Factors":{"Virulence":"Virulent"}, "Additional sample data":{"RAW_FILE_NAME":"251611_Ilyonectria_mors-panacis-MS2pos.raw"} }, { "Subject ID":"-", "Sample ID":"Neonectria_obtusisporum-140KfullMSneg", "Factors":{"Virulence":"Avirulent"}, "Additional sample data":{"RAW_FILE_NAME":"Neonectria_obtusisporum-140KfullMSneg.raw"} }, { "Subject ID":"-", "Sample ID":"Neonectria_obtusisporum-140KfullMSpos", "Factors":{"Virulence":"Avirulent"}, "Additional sample data":{"RAW_FILE_NAME":"Neonectria_obtusisporum-140KfullMSpos.raw"} }, { "Subject ID":"-", "Sample ID":"Neonectria_obtusisporum-MS2neg", "Factors":{"Virulence":"Avirulent"}, "Additional sample data":{"RAW_FILE_NAME":"Neonectria_obtusisporum-MS2neg.raw"} }, { "Subject ID":"-", "Sample ID":"Neonectria_obtusisporum-MS2pos", "Factors":{"Virulence":"Avirulent"}, "Additional sample data":{"RAW_FILE_NAME":"Neonectria_obtusisporum-MS2pos.raw"} }, { "Subject ID":"-", "Sample ID":"PotatoDextroseAgar_blankmedia-140KfullMSneg", "Factors":{"Virulence":"Blank"}, "Additional sample data":{"RAW_FILE_NAME":"PotatoDextroseAgar_blankmedia-140KfullMSneg.raw"} }, { "Subject ID":"-", "Sample ID":"PotatoDextroseAgar_blankmedia-140KfullMSpos", "Factors":{"Virulence":"Blank"}, "Additional sample data":{"RAW_FILE_NAME":"PotatoDextroseAgar_blankmedia-140KfullMSpos.raw"} }, { "Subject ID":"-", "Sample ID":"PotatoDextroseAgar_blankmedia-MS2neg", "Factors":{"Virulence":"Blank"}, "Additional sample data":{"RAW_FILE_NAME":"PotatoDextroseAgar_blankmedia-MS2neg.raw"} }, { "Subject ID":"-", "Sample ID":"PotatoDextroseAgar_blankmedia-MS2pos", "Factors":{"Virulence":"Blank"}, "Additional sample data":{"RAW_FILE_NAME":"PotatoDextroseAgar_blankmedia-MS2pos.raw"} }, { "Subject ID":"-", "Sample ID":"QC1-140KfullMSneg", "Factors":{"Virulence":"Quality Control"}, "Additional sample data":{"RAW_FILE_NAME":"QC1-140KfullMSneg.raw"} }, { "Subject ID":"-", "Sample ID":"QC1-140KfullMSpos", "Factors":{"Virulence":"Quality Control"}, "Additional sample data":{"RAW_FILE_NAME":"QC1-140KfullMSpos.raw"} }, { "Subject ID":"-", "Sample ID":"QC2-140KfullMSneg", "Factors":{"Virulence":"Quality Control"}, "Additional sample data":{"RAW_FILE_NAME":"QC2-140KfullMSneg.raw"} }, { "Subject ID":"-", "Sample ID":"QC2-140KfullMSpos", "Factors":{"Virulence":"Quality Control"}, "Additional sample data":{"RAW_FILE_NAME":"QC2-140KfullMSpos.raw"} }, { "Subject ID":"-", "Sample ID":"QC3-140KfullMSneg", "Factors":{"Virulence":"Quality Control"}, "Additional sample data":{"RAW_FILE_NAME":"QC3-140KfullMSneg.raw"} }, { "Subject ID":"-", "Sample ID":"QC3-140KfullMSpos", "Factors":{"Virulence":"Quality Control"}, "Additional sample data":{"RAW_FILE_NAME":"QC3-140KfullMSpos.raw"} }, { "Subject ID":"-", "Sample ID":"QC4-140KfullMSneg", "Factors":{"Virulence":"Quality Control"}, "Additional sample data":{"RAW_FILE_NAME":"QC4-140KfullMSneg.raw"} }, { "Subject ID":"-", "Sample ID":"QC4-140KfullMSpos", "Factors":{"Virulence":"Quality Control"}, "Additional sample data":{"RAW_FILE_NAME":"QC4-140KfullMSpos.raw"} }, { "Subject ID":"-", "Sample ID":"QC5-140KfullMSneg", "Factors":{"Virulence":"Quality Control"}, "Additional sample data":{"RAW_FILE_NAME":"QC5-140KfullMSneg.raw"} }, { "Subject ID":"-", "Sample ID":"QC5-140KfullMSpos", "Factors":{"Virulence":"Quality Control"}, "Additional sample data":{"RAW_FILE_NAME":"QC5-140KfullMSpos.raw"} }, { "Subject ID":"-", "Sample ID":"Radicicol_seedspectra_MS2pos", "Factors":{"Virulence":"GNPS Seed spectra"}, "Additional sample data":{"RAW_FILE_NAME":"Radicicol_seedspectra_MS2pos.raw"} }, { "Subject ID":"-", "Sample ID":"unknown_compound1_seedspectra_MS2pos", "Factors":{"Virulence":"GNPS Seed spectra"}, "Additional sample data":{"RAW_FILE_NAME":"unknown_compound1_seedspectra_MS2pos.raw"} }, { "Subject ID":"-", "Sample ID":"unknown_compound2_seedspectra_MS2pos", "Factors":{"Virulence":"GNPS Seed spectra"}, "Additional sample data":{"RAW_FILE_NAME":"unknown_compound2_seedspectra_MS2pos.raw"} } ], "COLLECTION":{"COLLECTION_SUMMARY":"Fungal isolates obtained from the Canadian Fungal Culture Collection (CFCC) at Agriculture and Agri-Food Canada were grown on potato dextrose agar for 20 days at 21 C.","SAMPLE_TYPE":"Fungal cells"}, "TREATMENT":{"TREATMENT_SUMMARY":"All fungal isolates were grown on potato dextrose agar (2.4%, w/v) with 3.47E-5 zinc sulfate heptahydrate and 3.13E-5 copper sulfate. Plates were grown for 20 days at 21 C in the dark."}, "SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Cultures were sampled by taking six 0.5-cm plugs from each plate. Plugs were extracted with 4 mL of ethyl acetate, then dried by centrifugal vacuum evaporation. Dried extracts were reconstituted in 1 mL of 3:1 methanol:water and were filtered through 0.45 um PTFE filters (Chromatographic Specialties, Inc.). Composite quality control samples were made by combining 50 uL from each completed extract."}, "CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Samples were resolved with a reversed-phase column (C-18)","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Agilent 1290 Infinity","COLUMN_NAME":"Agilent Zorbax EclipsePlus C-18 (50 x 2.1 mm, 1.8 um)","FLOW_GRADIENT":"0% B for 0.5 minutes, increased to 100% B over 3 minutes, held at 100% B for 2.5 minutes, decreased to 0% B over 0.5 minutes, then held at 0% B for 1 minute","FLOW_RATE":"0.3 mL/min","COLUMN_TEMPERATURE":"35","SOLVENT_A":"0.1% (v/v) formic acid in water","SOLVENT_B":"0.1% (v/v) formic acid in acetonitrile","SAMPLE_INJECTION":"5 uL","CAPILLARY_VOLTAGE":"3900 V"}, "ANALYSIS":{"ANALYSIS_TYPE":"MS"}, "MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"Data were acquired by single-stage LC-HRMS (140,000 resolution)","MS_RESULTS_FILE":"ST001293_AN002151_Results.txt UNITS:Integrated peak area Has m/z:Yes Has RT:Yes RT units:Minutes"} }