{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002880","ANALYSIS_ID":"AN004720","VERSION":"1","CREATED_ON":"September 28, 2023, 8:54 am"},

"PROJECT":{"PROJECT_TITLE":"Biomolecule oxidation by cold plasma generated ROS/RNS","PROJECT_SUMMARY":"In an extensive study, the oxidation pattern of lipids and proteins by plasma-generated species was mapped. The dominant reaction partners and reaction locations were identified. Conclusions on plasma source design and medical implications were drawn.","INSTITUTE":"Leibniz Institute for Plasma Science and Technology","DEPARTMENT":"PFE","LAST_NAME":"Wende","FIRST_NAME":"Kristian","ADDRESS":"F.-Hausdorff-Str. 4, D-17489 Greifswald","EMAIL":"kristian.wende@inp-greifswald.de","PHONE":"+49 3834 554 3923","FUNDING_SOURCE":"BMBF 03Z22DN12"},

"STUDY":{"STUDY_TITLE":"Hypoxia-driven dynamics of tomato root lipidome","STUDY_SUMMARY":"A distinct, hypoxia-related lipid composition of Solanum lycopersicum root tissue was observed. Out of 965 lipid species, 33 were exclusively detected in this condition. Among the lipid classes observed, glycerolipids and glycerophospholipids dominated by far (77%). Significantly, the abundance of triacylglycerols increased with hypoxic stress, while sitosterol esters, digalactosyldiacylglycerols, and phosphatidylcholine decreased. Alongside, an increased level of polyunsaturation was observed in the fatty acid chains, with 18:2, 18:3 residues showing a significant increase. Of note, hexadecatetraenoic acid (16:4) was identified in hypoxia condition samples.","INSTITUTE":"Leibniz Institute for Plasma Science and Technology","LAST_NAME":"Wende","FIRST_NAME":"Kristian","ADDRESS":"F.-Hausdorff-Str. 2, D-17489 Greifswald","EMAIL":"kristian.wende@inp-greifswald.de","PHONE":"+49 3834 554 3923"},

"SUBJECT":{"SUBJECT_TYPE":"Plant","SUBJECT_SPECIES":"Lycopersicon esculentum"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"Control_1_1_neg",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K1_neg1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_K1_neg2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_1_1_pos",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K1_pos1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_K1_pos2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_1_2_neg",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K2_neg1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_K2_neg2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_1_2_pos",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K2_pos1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_K2_pos2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_1_3_neg",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K3_neg1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_K3_neg2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_1_3_pos",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K3_pos1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_K3_pos2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_1_4_neg",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K4_neg1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_K4_neg2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_1_4_pos",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K4_pos1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_K4_pos2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_1_5_neg",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K5_neg1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_K5_neg2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_1_5_pos",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K5_pos1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_K5_pos2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_1_6_neg",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K6_neg1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_K6_neg2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_1_6_pos",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K6_pos1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_K6_pos2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_1_7_neg",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K7_neg1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_K7_neg2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_1_7_pos",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K7_pos1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_K7_pos2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_1_8_neg",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K8_neg1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_K8_neg2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_1_8_pos",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K8_pos1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_K8_pos2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_1_9_neg",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K9_neg1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_K9_neg2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_1_9_pos",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K9_pos1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_K9_pos2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_2_1_neg",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K1_neg1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_K1_neg2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_2_1_pos",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K1_pos1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_K1_pos2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_2_2_neg",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K2_neg1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_K2_neg2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_2_2_pos",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K2_pos1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_K2_pos2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_2_3_neg",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K3_neg1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_K3_neg2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_2_3_pos",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K3_pos1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_K3_pos2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_2_4_neg",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K4_neg1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_K4_neg2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_2_4_pos",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K4_pos1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_K4_pos2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_2_5_neg",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K5_neg1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_K5_neg2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_2_5_pos",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K5_pos1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_K5_pos2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_2_6_neg",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K6_neg1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_K6_neg2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_2_6_pos",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K6_pos1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_K6_pos2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_2_7_neg",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K7_neg1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_K7_neg2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_2_7_pos",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K7_pos1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_K7_pos2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_2_8_neg",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K8_neg1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_K8_neg2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_2_8_pos",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K8_pos1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_K8_pos2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_2_9_neg",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K9_neg1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_K9_neg2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Control_2_9_pos",
"Factors":{"condition":"control"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_K9_pos1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_K9_pos2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_1_1_neg",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H1_neg1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_H1_neg2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_1_1_pos",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H1_pos1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_H1_pos2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_1_2_neg",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H2_neg1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_H2_neg2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_1_2_pos",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H2_pos1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_H2_pos2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_1_3_neg",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H3_neg1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_H3_neg2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_1_3_pos",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H3_pos1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_H3_pos2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_1_4_neg",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H4_neg1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_H4_neg2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_1_4_pos",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H4_pos1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_H4_pos2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_1_5_neg",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H5_neg1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_H5_neg2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_1_5_pos",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H5_pos1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_H5_pos2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_1_6_neg",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H6_neg1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_H6_neg2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_1_6_pos",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H6_pos1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_H6_pos2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_1_7_neg",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H7_neg1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_H7_neg2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_1_7_pos",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H7_pos1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_H7_pos2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_1_8_neg",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H8_neg1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_H8_neg2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_1_8_pos",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H8_pos1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_H8_pos2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_1_9_neg",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H9_neg1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_H9_neg2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_1_9_pos",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H9_pos1_BR1.raw","RAW_FILE_NAME":"C30_PlantLipidome_H9_pos2_BR1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_2_1_neg",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H1_neg1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_H1_neg2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_2_1_pos",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H1_pos1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_H1_pos2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_2_2_neg",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H2_neg1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_H2_neg2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_2_2_pos",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H2_pos1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_H2_pos2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_2_3_neg",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H3_neg1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_H3_neg2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_2_3_pos",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H3_pos1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_H3_pos2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_2_4_neg",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H4_neg1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_H4_neg2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_2_4_pos",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H4_pos1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_H4_pos2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_2_5_neg",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H5_neg1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_H5_neg2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_2_5_pos",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H5_pos1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_H5_pos2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_2_6_neg",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H6_neg1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_H6_neg2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_2_6_pos",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H6_pos1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_H6_pos2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_2_7_neg",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H7_neg1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_H7_neg2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_2_7_pos",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H7_pos1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_H7_pos2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_2_8_neg",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H8_neg1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_H8_neg2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_2_8_pos",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H8_pos1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_H8_pos2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_2_9_neg",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H9_neg1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_H9_neg2_BR2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Hypoxia_2_9_pos",
"Factors":{"condition":"hypoxia"},
"Additional sample data":{"RAW_FILE_NAME":"C30_PlantLipidome_H9_pos1_BR2.raw","RAW_FILE_NAME":"C30_PlantLipidome_H9_pos2_BR2.raw"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Control or hypoxia-exposed tomato roots were collected, minced, and extracted. Subsequently, lipidome profile was determined by LC-HRMS/MS","COLLECTION_PROTOCOL_FILENAME":"experimental procedure.pdf","SAMPLE_TYPE":"Plant roots","COLLECTION_FREQUENCY":"48h after hypoxia applied","STORAGE_CONDITIONS":"-20℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"Solanum lycopersicum (L.) cv. Moneymaker was cultivated under greenhouse conditions (14 h light 18 °C / 10 h dark 22 °C). Tomato plants grew on quartz sand culture for four weeks with a nutrient solution containing 5 mM NO3- [18,19]. Tomato roots were waterlogged for 48 h to apply hypoxic conditions.","TREATMENT":"watterlogging","TREATMENT_DOSEDURATION":"48h","PLANT_LIGHT_PERIOD":"14h","PLANT_TEMP":"18°C"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Lipids from tomato roots were extracted with a modified procedure adapted from Shiva and colleagues [20]. In brief, 0.1 g of grinded roots (cooled on liquid nitrogen) were added to a glass reaction tube filled with isopropanol supplemented with 0.01 % BHT. The mixture was incubated for 15 min at 75 °C and cooled on ice afterward. To the cooled-down mixture, 0.5 volume of chloroform, 0.2 volume of water and 3 µL of EquiSPLASH Lipidomix were added. Lipids were extracted for 1 h on ice with occasional vortexing in between. Reaction tubes were centrifuged at 5000 x g to induce phase separation, and the organic phase was transferred to another glass reaction tube. To the remaining water phase, 1.33 volumes of a chloroform:methanol mixture (2:1, v/v) supplemented with 0.1 % BHT was added and incubated for 30 min on ice with occasional vortexing. Reaction tubes were again centrifuged at 5000 rpm, and the chloroform phase was transferred to the second glass vial. The chloroform:methanol extraction step was repeated with the remaining water phase 3 times. Afterward, 0.33 volumes of KCl (1 M) were added to the combined lipid extracts and vortexed. The upper water phase was removed, and 0.66 volumes of water were added and vortexed. The upper phase was again removed, and sodium sulfate was added to remove the remaining water. Finally, the lipid extract was dried under constant N2-flow with a TurboVap sample evaporator (Biotage, Sweden) and frozen at -80°C until MS analysis.","PROCESSING_STORAGE_CONDITIONS":"On ice","EXTRACT_STORAGE":"-80℃","SAMPLE_RESUSPENSION":"chloroform:methanol:isopropanol (1:2:4 v/v/v, supplemented with 5 mM ammonium formate)","SAMPLE_DERIVATIZATION":"none","SAMPLE_SPIKING":"EquiSPLASH"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Vanquish","COLUMN_NAME":"Thermo Accucore C30 (150 x 2.1mm,2.6um)","SOLVENT_A":"60% acetonitrile/40% water;10 mM ammonium formate; 0.1 % formic acid","SOLVENT_B":"90% isopropanol/10% acetonitrile; 10 mM ammonium formate; 0.1 % formic acid","FLOW_GRADIENT":"30% - 99% B 30min","FLOW_RATE":"350µl/min","COLUMN_TEMPERATURE":"50°C"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Plus Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"MS raw files were analysed with the software LipidSearch (version 4.2.27, Thermo Fisher) using the following parameters: retention time interval 0.01 min, m-score threshold 5, precursor tolerance 5 ppm, product tolerance 8 ppm, ID quality filter A (fatty acid chain and class identified completely) and B (class and some fatty acid chains identified). The resulting text files were processed with an in-house KNIME workflow and filtered for ppm error, peak quality and area score. The area of identical lipids with different ion adducts was summed up. The resulting excel file was processed in R (v 4.0.2) with manual inspection of raw areas (Figure S1). Lipids in the blanks or blank extracts were excluded from the data, if not at least 5-fold lower in intensity in blank controls. Lipid areas were normalized to the respective lipids in the EquiSplash standard, and median normalization was applied (Figure S2). Lipids present in less than 20% of samples were excluded from subsequent analysis of lipid species. For principal component analyses (PCA), lipid species identified in at least 50% of samples were considered, and the three independent replicates were batch-adjusted using the ComBat algorithm. Lipids were annotated on the molecular species level in accordance with the proposed nomenclature by the LIPID MAPS consortium since no information on the sn-position of acyl/alkyl constituents was available"},

"MS_METABOLITE_DATA":{
"Units":"normalized relative abundance",

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bonds":"3"},{"Metabolite":"LPC(19:1)","observed m/z":"580.3620979","No of double bonds":"1"},{"Metabolite":"LPC(20:0)","observed m/z":"596.3934115","No of double bonds":"0"},{"Metabolite":"LPC(21:0)","observed m/z":"610.4094787","No of double bonds":"0"},{"Metabolite":"LPC(22:0)","observed m/z":"624.4248761","No of double bonds":"0"},{"Metabolite":"LPC(23:0)","observed m/z":"638.4406014","No of double bonds":"0"},{"Metabolite":"LPC(24:0)","observed m/z":"652.4563538","No of double bonds":"0"},{"Metabolite":"LPE(15:0)","observed m/z":"438.2627063","No of double bonds":"0"},{"Metabolite":"LPE(16:0)","observed m/z":"452.2784475","No of double bonds":"0"},{"Metabolite":"LPE(17:0)","observed m/z":"466.2939034","No of double bonds":"0"},{"Metabolite":"LPE(18:0)","observed m/z":"480.3096667","No of double bonds":"0"},{"Metabolite":"LPE(18:1)","observed m/z":"478.293966","No of double bonds":"1"},{"Metabolite":"LPE(18:2)","observed m/z":"476.2783302","No of double bonds":"2"},{"Metabolite":"LPE(18:3)","observed m/z":"474.2627512","No of double bonds":"3"},{"Metabolite":"LPE(20:0)","observed m/z":"508.3407875","No of double bonds":"0"},{"Metabolite":"LPE(21:0)","observed m/z":"522.356652","No of double bonds":"0"},{"Metabolite":"LPE(22:0)","observed m/z":"536.3723218","No of double bonds":"0"},{"Metabolite":"LPE(23:0)","observed m/z":"550.3878826","No of double bonds":"0"},{"Metabolite":"LPE(24:0)","observed m/z":"564.4036482","No of double bonds":"0"},{"Metabolite":"LPE(25:0)","observed m/z":"578.4195213","No of double bonds":"0"},{"Metabolite":"LPG(16:0)","observed m/z":"483.2730658","No of double bonds":"0"},{"Metabolite":"LPG(17:0)","observed m/z":"497.2888137","No of double bonds":"0"},{"Metabolite":"LPI(16:0)","observed m/z":"571.2891054","No of double bonds":"0"},{"Metabolite":"LPI(17:0)","observed m/z":"585.3049453","No of double bonds":"0"},{"Metabolite":"LPS(22:0)","observed m/z":"580.3619917","No of double bonds":"0"},{"Metabolite":"LPS(23:0)","observed m/z":"594.3779317","No of double bonds":"0"},{"Metabolite":"LPS(24:0)","observed m/z":"608.394042","No of double bonds":"0"},{"Metabolite":"MGDG(16:0_18:1)","observed m/z":"801.5738779","No of double bonds":"1"},{"Metabolite":"MGDG(16:0_18:2)","observed m/z":"799.5585578","No of double bonds":"2"},{"Metabolite":"MGDG(16:0_18:3)","observed m/z":"797.542463","No of double bonds":"3"},{"Metabolite":"MGDG(17:0_18:2)","observed m/z":"813.5744407","No of double bonds":"2"},{"Metabolite":"MGDG(17:0_18:3)","observed m/z":"811.5583163","No of double bonds":"3"},{"Metabolite":"MGDG(18:0_18:2)","observed m/z":"827.589679","No of double bonds":"2"},{"Metabolite":"MGDG(18:1_18:1)","observed m/z":"827.5903869","No of double bonds":"2"},{"Metabolite":"MGDG(18:1_18:2)","observed m/z":"825.5739836","No of double bonds":"3"},{"Metabolite":"MGDG(18:1_18:3)","observed m/z":"823.5582977","No of double bonds":"4"},{"Metabolite":"MGDG(18:2_16:4)","observed m/z":"791.4952905","No of double bonds":"6"},{"Metabolite":"MGDG(18:2_18:2)","observed m/z":"823.5580612","No of double bonds":"4"},{"Metabolite":"MGDG(18:2_18:3)","observed m/z":"821.5426827","No of double bonds":"5"},{"Metabolite":"MGDG(18:2_24:0)","observed m/z":"911.6827969","No of double bonds":"2"},{"Metabolite":"MGDG(18:3_16:2)","observed m/z":"793.5115753","No of double bonds":"5"},{"Metabolite":"MGDG(18:3_16:3)","observed m/z":"791.4955937","No of double bonds":"6"},{"Metabolite":"MGDG(18:3_16:4)","observed m/z":"789.4798413","No of double bonds":"7"},{"Metabolite":"MGDG(18:3_18:3)","observed m/z":"819.5269308","No of double bonds":"6"},{"Metabolite":"MGDG(18:3_19:2)","observed m/z":"835.5585734","No of double bonds":"5"},{"Metabolite":"MGDG(19:1_18:3)","observed m/z":"837.5738157","No of double bonds":"4"},{"Metabolite":"MGMG(16:0)","observed m/z":"537.3281206","No of double bonds":"0"},{"Metabolite":"PA(15:0_18:2)","observed m/z":"657.4507832","No of double bonds":"2"},{"Metabolite":"PA(16:0_18:2)","observed m/z":"671.4661924","No of double bonds":"2"},{"Metabolite":"PA(16:0_18:3)","observed m/z":"669.4508094","No of double bonds":"3"},{"Metabolite":"PA(17:0_18:2)","observed m/z":"685.4814194","No of double bonds":"2"},{"Metabolite":"PA(17:0_18:3)","observed m/z":"683.4662557","No of double bonds":"3"},{"Metabolite":"PA(18:0_18:2)","observed m/z":"699.4971795","No of double bonds":"2"},{"Metabolite":"PA(18:1_18:2)","observed m/z":"697.482099","No of double bonds":"3"},{"Metabolite":"PA(18:2_18:2)","observed m/z":"695.466152","No of double bonds":"4"},{"Metabolite":"PA(18:3_18:2)","observed m/z":"693.450377","No of double bonds":"5"},{"Metabolite":"PA(18:3_18:3)","observed m/z":"691.4346779","No of double bonds":"6"},{"Metabolite":"PC(14:0_18:2)","observed m/z":"774.5294878","No of double bonds":"2"},{"Metabolite":"PC(14:0_18:3)","observed m/z":"772.5138896","No of double bonds":"3"},{"Metabolite":"PC(15:0_16:0)","observed m/z":"764.5463785","No of double bonds":"0"},{"Metabolite":"PC(15:0_17:0)","observed m/z":"778.5611518","No of double bonds":"0"},{"Metabolite":"PC(15:0_18:1)","observed m/z":"790.5613902","No of double bonds":"1"},{"Metabolite":"PC(15:0_18:2)","observed m/z":"788.5457372","No of double bonds":"2"},{"Metabolite":"PC(15:0_18:3)","observed m/z":"786.5294696","No of double bonds":"3"},{"Metabolite":"PC(16:0_16:0)","observed m/z":"778.5610428","No of double bonds":"0"},{"Metabolite":"PC(16:0_16:1)","observed m/z":"776.5453019","No of double bonds":"1"},{"Metabolite":"PC(16:0_17:0)","observed m/z":"792.5765906","No of double bonds":"0"},{"Metabolite":"PC(16:0_18:1)","observed m/z":"804.5759463","No of double bonds":"1"},{"Metabolite":"PC(16:0_18:2)","observed m/z":"802.5607767","No of double bonds":"2"},{"Metabolite":"PC(16:0_18:3)","observed m/z":"800.5452899","No of double bonds":"3"},{"Metabolite":"PC(16:1_18:2)","observed m/z":"800.5455885","No of double bonds":"3"},{"Metabolite":"PC(16:1_18:3)","observed m/z":"798.5294147","No of double bonds":"4"},{"Metabolite":"PC(17:0_18:1)","observed m/z":"818.591794","No of double bonds":"1"},{"Metabolite":"PC(17:0_18:2)","observed m/z":"816.5763852","No of double bonds":"2"},{"Metabolite":"PC(17:0_18:3)","observed m/z":"814.5609196","No of double bonds":"3"},{"Metabolite":"PC(17:1_18:2)","observed m/z":"814.5612128","No of double bonds":"3"},{"Metabolite":"PC(17:1_18:3)","observed m/z":"812.5456168","No of double bonds":"4"},{"Metabolite":"PC(18:0_18:1)","observed m/z":"832.6076845","No of double bonds":"1"},{"Metabolite":"PC(18:0_18:2)","observed m/z":"830.5924561","No of double bonds":"2"},{"Metabolite":"PC(18:0_18:3)","observed m/z":"828.5768182","No of double bonds":"3"},{"Metabolite":"PC(18:1_18:1)","observed m/z":"830.5927179","No of double bonds":"2"},{"Metabolite":"PC(18:1_18:2)","observed m/z":"828.5766765","No of double bonds":"3"},{"Metabolite":"PC(18:1_22:0)","observed m/z":"888.6697019","No of double bonds":"1"},{"Metabolite":"PC(18:1_24:0)","observed m/z":"916.7014589","No of double bonds":"1"},{"Metabolite":"PC(18:2_18:2)","observed m/z":"826.5609506","No of double bonds":"4"},{"Metabolite":"PC(18:2_21:0)","observed m/z":"872.638987","No of double bonds":"2"},{"Metabolite":"PC(18:2_23:0)","observed m/z":"900.6707602","No of double bonds":"2"},{"Metabolite":"PC(18:3_18:2)","observed m/z":"824.5451958","No of double bonds":"5"},{"Metabolite":"PC(18:3_18:3)","observed m/z":"822.5297049","No of double bonds":"6"},{"Metabolite":"PC(18:3_21:0)","observed m/z":"870.6234116","No of double bonds":"3"},{"Metabolite":"PC(18:3_23:0)","observed m/z":"898.6550665","No of double bonds":"3"},{"Metabolite":"PC(18:4_16:0)","observed m/z":"798.5294415","No of double bonds":"4"},{"Metabolite":"PC(18:4_18:2)","observed m/z":"822.5298484","No of double bonds":"6"},{"Metabolite":"PC(19:0_18:2)","observed m/z":"844.6071996","No of double bonds":"2"},{"Metabolite":"PC(19:1_15:0)","observed m/z":"804.5762989","No of double bonds":"1"},{"Metabolite":"PC(19:1_16:0)","observed m/z":"818.5921982","No of double bonds":"1"},{"Metabolite":"PC(19:1_17:0)","observed m/z":"832.6076772","No of double bonds":"1"},{"Metabolite":"PC(19:1_18:0)","observed m/z":"846.6232875","No of double bonds":"1"},{"Metabolite":"PC(19:1_18:1)","observed m/z":"844.6075055","No of double bonds":"2"},{"Metabolite":"PC(19:1_18:2)","observed m/z":"842.5916361","No of double bonds":"3"},{"Metabolite":"PC(19:1_18:3)","observed m/z":"840.5763738","No of double bonds":"4"},{"Metabolite":"PC(20:0_18:1)","observed m/z":"860.6384056","No of double bonds":"1"},{"Metabolite":"PC(20:0_18:2)","observed m/z":"858.623372","No of double bonds":"2"},{"Metabolite":"PC(20:0_18:3)","observed m/z":"856.6074338","No of double bonds":"3"},{"Metabolite":"PC(20:1_18:2)","observed m/z":"856.6074831","No of double bonds":"3"},{"Metabolite":"PC(20:1_18:3)","observed m/z":"854.592288","No of double bonds":"4"},{"Metabolite":"PC(20:2_18:2)","observed m/z":"854.5924305","No of double bonds":"4"},{"Metabolite":"PC(20:3_18:2)","observed m/z":"852.5757373","No of double bonds":"5"},{"Metabolite":"PC(22:0_18:2)","observed m/z":"886.6548322","No of double bonds":"2"},{"Metabolite":"PC(22:0_18:3)","observed m/z":"884.6383106","No of double bonds":"3"},{"Metabolite":"PC(24:0_18:2)","observed m/z":"914.6858064","No of double bonds":"2"},{"Metabolite":"PC(24:0_18:3)","observed m/z":"912.6702975","No of double bonds":"3"},{"Metabolite":"PC(25:0_18:2)","observed m/z":"928.7020429","No of double bonds":"2"},{"Metabolite":"PC(26:0_18:2)","observed m/z":"942.7165933","No of double bonds":"2"},{"Metabolite":"PE(14:0_18:2)","observed m/z":"686.4770236","No of double bonds":"2"},{"Metabolite":"PE(14:0_18:3)","observed m/z":"684.4612694","No of double bonds":"3"},{"Metabolite":"PE(15:0_16:0)","observed m/z":"676.4926817","No of double bonds":"0"},{"Metabolite":"PE(15:0_18:1)","observed m/z":"702.5082681","No of double bonds":"1"},{"Metabolite":"PE(15:0_18:2)","observed m/z":"700.4927674","No of double bonds":"2"},{"Metabolite":"PE(15:0_18:3)","observed m/z":"698.4772564","No of double bonds":"3"},{"Metabolite":"PE(16:0_16:0)","observed m/z":"690.5082726","No of double bonds":"0"},{"Metabolite":"PE(16:0_16:1)","observed m/z":"688.4923712","No of double bonds":"1"},{"Metabolite":"PE(16:0_18:1)","observed m/z":"716.5239055","No of double bonds":"1"},{"Metabolite":"PE(16:0_18:2)","observed m/z":"714.50829","No of double bonds":"2"},{"Metabolite":"PE(16:0_18:3)","observed m/z":"712.4924081","No of double bonds":"3"},{"Metabolite":"PE(16:1_16:1)","observed m/z":"686.4772501","No of double bonds":"2"},{"Metabolite":"PE(16:1_18:1)","observed m/z":"714.5083999","No of double bonds":"2"},{"Metabolite":"PE(16:1_18:2)","observed m/z":"712.4928524","No of double bonds":"3"},{"Metabolite":"PE(16:1_18:3)","observed m/z":"710.4770419","No of double bonds":"4"},{"Metabolite":"PE(17:0_18:1)","observed m/z":"730.5397722","No of double bonds":"1"},{"Metabolite":"PE(17:0_18:2)","observed m/z":"728.524041","No of double bonds":"2"},{"Metabolite":"PE(17:0_18:3)","observed m/z":"726.5078777","No of double bonds":"3"},{"Metabolite":"PE(17:1_16:0)","observed m/z":"702.5086746","No of double bonds":"1"},{"Metabolite":"PE(17:1_18:3)","observed m/z":"724.4925413","No of double bonds":"4"},{"Metabolite":"PE(18:0_18:1)","observed m/z":"744.5554217","No of double bonds":"1"},{"Metabolite":"PE(18:0_18:2)","observed m/z":"742.5398622","No of double bonds":"2"},{"Metabolite":"PE(18:0_18:3)","observed m/z":"740.5241041","No of double bonds":"3"},{"Metabolite":"PE(18:1_18:1)","observed m/z":"742.5397856","No of double bonds":"2"},{"Metabolite":"PE(18:1_18:2)","observed m/z":"740.524205","No of double bonds":"3"},{"Metabolite":"PE(18:1_22:0)","observed m/z":"800.6178989","No of double bonds":"1"},{"Metabolite":"PE(18:1_23:0)","observed m/z":"814.6337539","No of double bonds":"1"},{"Metabolite":"PE(18:1_24:0)","observed m/z":"828.6494214","No of double bonds":"1"},{"Metabolite":"PE(18:2_18:2)","observed m/z":"738.5083686","No of double bonds":"4"},{"Metabolite":"PE(18:2_21:0)","observed m/z":"784.5866283","No of double bonds":"2"},{"Metabolite":"PE(18:2_23:0)","observed m/z":"812.6174096","No of double bonds":"2"},{"Metabolite":"PE(18:3_18:2)","observed m/z":"736.4930277","No of double bonds":"5"},{"Metabolite":"PE(18:3_18:3)","observed m/z":"734.4774961","No of double bonds":"6"},{"Metabolite":"PE(18:3_21:0)","observed m/z":"782.5703575","No of double bonds":"3"},{"Metabolite":"PE(18:3_23:0)","observed m/z":"810.6011777","No of double bonds":"3"},{"Metabolite":"PE(18:4_16:0)","observed m/z":"710.4769046","No of double bonds":"4"},{"Metabolite":"PE(19:0_18:2)","observed m/z":"756.555428","No of double bonds":"2"},{"Metabolite":"PE(19:1_16:0)","observed m/z":"730.5398371","No of double bonds":"1"},{"Metabolite":"PE(19:1_17:0)","observed m/z":"744.5554314","No of double bonds":"1"},{"Metabolite":"PE(19:1_18:1)","observed m/z":"756.5553299","No of double bonds":"2"},{"Metabolite":"PE(19:1_18:2)","observed m/z":"754.5394454","No of double bonds":"3"},{"Metabolite":"PE(19:1_18:3)","observed m/z":"752.5237019","No of double bonds":"4"},{"Metabolite":"PE(19:1_24:0)","observed m/z":"842.6649261","No of double bonds":"1"},{"Metabolite":"PE(20:0_18:1)","observed m/z":"772.5865486","No of double bonds":"1"},{"Metabolite":"PE(20:0_18:2)","observed m/z":"770.5708738","No of double bonds":"2"},{"Metabolite":"PE(20:0_18:3)","observed m/z":"768.5552117","No of double bonds":"3"},{"Metabolite":"PE(20:1_18:2)","observed m/z":"768.5551951","No of double bonds":"3"},{"Metabolite":"PE(20:1_18:3)","observed m/z":"766.5394961","No of double bonds":"4"},{"Metabolite":"PE(20:2_18:2)","observed m/z":"766.5395102","No of double bonds":"4"},{"Metabolite":"PE(20:3_18:2)","observed m/z":"764.5238714","No of double bonds":"5"},{"Metabolite":"PE(22:0_18:2)","observed m/z":"798.6019228","No of double bonds":"2"},{"Metabolite":"PE(22:0_18:3)","observed m/z":"796.5868217","No of double bonds":"3"},{"Metabolite":"PE(22:1_18:2)","observed m/z":"796.5866154","No of double bonds":"3"},{"Metabolite":"PE(22:2_18:2)","observed m/z":"794.5710037","No of double bonds":"4"},{"Metabolite":"PE(24:0_18:2)","observed m/z":"826.6338881","No of double bonds":"2"},{"Metabolite":"PE(24:0_18:3)","observed m/z":"824.6172309","No of double bonds":"3"},{"Metabolite":"PE(24:1_18:2)","observed m/z":"824.6176521","No of double bonds":"3"},{"Metabolite":"PE(25:0_18:1)","observed m/z":"842.664633","No of double bonds":"1"},{"Metabolite":"PE(25:0_18:2)","observed m/z":"840.6491915","No of double bonds":"2"},{"Metabolite":"PE(25:0_18:3)","observed m/z":"838.6323288","No of double bonds":"3"},{"Metabolite":"PE(26:0_18:1)","observed m/z":"856.6806862","No of double bonds":"1"},{"Metabolite":"PE(26:0_18:2)","observed m/z":"854.6646725","No of double bonds":"2"},{"Metabolite":"PE(26:0_18:3)","observed m/z":"852.6486331","No of double bonds":"3"},{"Metabolite":"PE(27:0_18:2)","observed m/z":"868.6799575","No of double bonds":"2"},{"Metabolite":"PE(28:0_18:2)","observed m/z":"882.6953638","No of double bonds":"2"},{"Metabolite":"PG(15:0_16:0)","observed m/z":"707.4871432","No of double bonds":"0"},{"Metabolite":"PG(15:0_18:2)","observed m/z":"731.4873526","No of double bonds":"2"},{"Metabolite":"PG(15:0_18:3)","observed m/z":"729.4717427","No of double bonds":"3"},{"Metabolite":"PG(16:0_16:0)","observed m/z":"721.5031121","No of double bonds":"0"},{"Metabolite":"PG(16:0_16:1)","observed m/z":"719.4874912","No of double bonds":"1"},{"Metabolite":"PG(16:0_17:0)","observed m/z":"735.5186598","No of double bonds":"0"},{"Metabolite":"PG(16:0_18:1)","observed m/z":"747.5189693","No of double bonds":"1"},{"Metabolite":"PG(16:0_18:2)","observed m/z":"745.5031833","No of double bonds":"2"},{"Metabolite":"PG(16:0_18:3)","observed m/z":"743.4866745","No of double bonds":"3"},{"Metabolite":"PG(16:1_16:1)","observed m/z":"717.4719577","No of double bonds":"2"},{"Metabolite":"PG(16:1_18:1)","observed m/z":"745.5033787","No of double bonds":"2"},{"Metabolite":"PG(16:1_18:2)","observed m/z":"743.4871173","No of double bonds":"3"},{"Metabolite":"PG(16:1_18:3)","observed m/z":"741.4716434","No of double bonds":"4"},{"Metabolite":"PG(17:0_17:0)","observed m/z":"749.5342143","No of double bonds":"0"},{"Metabolite":"PG(17:0_18:1)","observed m/z":"761.5341907","No of double bonds":"1"},{"Metabolite":"PG(17:0_18:2)","observed m/z":"759.5189512","No of double bonds":"2"},{"Metabolite":"PG(17:0_18:3)","observed m/z":"757.5033336","No of double bonds":"3"},{"Metabolite":"PG(18:0_16:0)","observed m/z":"749.5342812","No of double bonds":"0"},{"Metabolite":"PG(18:0_17:0)","observed m/z":"763.5499691","No of double bonds":"0"},{"Metabolite":"PG(18:0_18:2)","observed m/z":"773.5341489","No of double bonds":"2"},{"Metabolite":"PG(18:1_18:1)","observed m/z":"773.5342865","No of double bonds":"2"},{"Metabolite":"PG(18:1_18:2)","observed m/z":"771.5185785","No of double bonds":"3"},{"Metabolite":"PG(18:2_18:2)","observed m/z":"769.5028582","No of double bonds":"4"},{"Metabolite":"PG(18:3_18:2)","observed m/z":"767.4873496","No of double bonds":"5"},{"Metabolite":"PG(18:3_18:3)","observed m/z":"765.4716589","No of double bonds":"6"},{"Metabolite":"PG(19:1_16:0)","observed m/z":"761.5344001","No of double bonds":"1"},{"Metabolite":"PI(14:0_18:2)","observed m/z":"805.4870827","No of double bonds":"2"},{"Metabolite":"PI(15:0_18:2)","observed m/z":"819.5031446","No of double bonds":"2"},{"Metabolite":"PI(15:0_18:3)","observed m/z":"817.4876395","No of double bonds":"3"},{"Metabolite":"PI(16:0_18:1)","observed m/z":"835.5349566","No of double bonds":"1"},{"Metabolite":"PI(16:0_18:2)","observed m/z":"833.5188647","No of double bonds":"2"},{"Metabolite":"PI(16:0_18:3)","observed m/z":"831.5032054","No of double bonds":"3"},{"Metabolite":"PI(16:1_18:2)","observed m/z":"831.5034547","No of double bonds":"3"},{"Metabolite":"PI(16:1_18:3)","observed m/z":"829.4880049","No of double bonds":"4"},{"Metabolite":"PI(17:0_18:1)","observed m/z":"849.5503899","No of double bonds":"1"},{"Metabolite":"PI(17:0_18:2)","observed m/z":"847.5345009","No of double bonds":"2"},{"Metabolite":"PI(17:0_18:3)","observed m/z":"845.518944","No of double bonds":"3"},{"Metabolite":"PI(18:0_18:1)","observed m/z":"863.5657961","No of double bonds":"1"},{"Metabolite":"PI(18:0_18:2)","observed m/z":"861.5498054","No of double bonds":"2"},{"Metabolite":"PI(18:0_18:3)","observed m/z":"859.5345753","No of double bonds":"3"},{"Metabolite":"PI(18:1_18:1)","observed m/z":"861.5497312","No of double bonds":"2"},{"Metabolite":"PI(18:1_18:2)","observed m/z":"859.5346961","No of double bonds":"3"},{"Metabolite":"PI(18:1_18:3)","observed m/z":"857.5194084","No of double bonds":"4"},{"Metabolite":"PI(18:2_18:2)","observed m/z":"857.5187207","No of double bonds":"4"},{"Metabolite":"PI(18:3_18:2)","observed m/z":"855.5029965","No of double bonds":"5"},{"Metabolite":"PI(18:3_18:3)","observed m/z":"853.4874726","No of double bonds":"6"},{"Metabolite":"PI(19:1_16:0)","observed m/z":"849.550094","No of double bonds":"1"},{"Metabolite":"PS(16:0_18:2)","observed m/z":"758.4983757","No of double bonds":"2"},{"Metabolite":"PS(16:0_18:3)","observed m/z":"756.482615","No of double bonds":"3"},{"Metabolite":"PS(17:0_18:2)","observed m/z":"772.5138969","No of double bonds":"2"},{"Metabolite":"PS(17:0_18:3)","observed m/z":"770.4981496","No of double bonds":"3"},{"Metabolite":"PS(18:0_18:2)","observed m/z":"786.5294766","No of double bonds":"2"},{"Metabolite":"PS(18:0_18:3)","observed m/z":"784.5139175","No of double bonds":"3"},{"Metabolite":"PS(18:2_18:2)","observed m/z":"782.4980409","No of double bonds":"4"},{"Metabolite":"PS(18:2_21:0)","observed m/z":"828.5768593","No of double bonds":"2"},{"Metabolite":"PS(18:2_23:0)","observed m/z":"856.6072054","No of double bonds":"2"},{"Metabolite":"PS(18:3_18:2)","observed m/z":"780.4824082","No of double bonds":"5"},{"Metabolite":"PS(18:3_20:2)","observed m/z":"808.5141523","No of double bonds":"5"},{"Metabolite":"PS(18:3_20:3)","observed m/z":"806.498312","No of double bonds":"6"},{"Metabolite":"PS(18:3_21:0)","observed m/z":"826.5610761","No of double bonds":"3"},{"Metabolite":"PS(18:3_23:0)","observed m/z":"854.5921989","No of double bonds":"3"},{"Metabolite":"PS(19:0_18:2)","observed m/z":"800.5454613","No of double bonds":"2"},{"Metabolite":"PS(20:0_18:2)","observed m/z":"814.5609554","No of double bonds":"2"},{"Metabolite":"PS(20:0_18:3)","observed m/z":"812.5451446","No of double bonds":"3"},{"Metabolite":"PS(20:2_18:2)","observed m/z":"810.5298905","No of double bonds":"4"},{"Metabolite":"PS(20:3_18:2)","observed m/z":"808.5132736","No of double bonds":"5"},{"Metabolite":"PS(22:0_18:2)","observed m/z":"842.5916908","No of double bonds":"2"},{"Metabolite":"PS(22:0_18:3)","observed m/z":"840.5760425","No of double bonds":"3"},{"Metabolite":"PS(24:0_18:2)","observed m/z":"870.6233369","No of double bonds":"2"},{"Metabolite":"PS(24:0_18:3)","observed m/z":"868.6073751","No of double bonds":"3"},{"Metabolite":"PS(25:0_18:2)","observed m/z":"884.6375765","No of double bonds":"2"},{"Metabolite":"SQMG(32:5)","observed m/z":"839.498223","No of double bonds":"5"}]
}

}