{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002568","ANALYSIS_ID":"AN004231","VERSION":"1","CREATED_ON":"April 13, 2023, 8:27 am"},

"PROJECT":{"PROJECT_TITLE":"Pulmonary hypertension metabolomics","PROJECT_SUMMARY":"Identify relevant mechanisms associated to maladaptive right ventricular hypertrophy in pulmonary hypertension, beyond pressure overload, through the integration of advanced imaging and omics.","INSTITUTE":"Universidad CEU San Pablo","LAST_NAME":"Moran","FIRST_NAME":"Maria","ADDRESS":"Universidad CEU-San Pablo. Urb. Montepríncipe","EMAIL":"maria.morangarrido@ceu.es","PHONE":"913724769"},

"STUDY":{"STUDY_TITLE":"Assessment of metabolic changes in different animal models of maladaptive right ventricular hypertrophy in chronic pulmonary hypertension by lipidomics and HILIC","STUDY_SUMMARY":"We analyzed plasma samples from 33 Yucatan pigs belonging to four different experimental models of pulmonary hypertension (PH): M1 chronic postcapillary PH by pulmonary vein banding; M2 chronic PH by aorto-pulmonary shunting; M3: right ventricular pressure overload by pulmonary artery banding, thus without PH; and M0 sham procedure. Briefly, blood samples were collected 8 months after surgery and untargeted lipidomics and HILIC metabolomic analyses were performed for negative and positive polarities. For quality control, 5 QC samples were included in each analysis, iterative MSMS was performed for metabolite annotation. Plasma metabolomic patterns differed among groups, displaying arginine-nitric oxide and histidine deficiency in both PH models (M1 and M2), altered taurine and purine pathways in M2, and lipidomic changes in all three models of pressure overload.","INSTITUTE":"Universidad CEU San Pablo","LAST_NAME":"Moran","FIRST_NAME":"Maria","ADDRESS":"Universidad CEU-San Pablo. Urb. Montepríncipe","EMAIL":"maria.morangarrido@ceu.es","PHONE":"913724769"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Sus scrofa","TAXONOMY_ID":"9823"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"2992",
"Sample ID":"B0_2992_HILIC_negative",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"B0_2992_HILIC_negative.mzML"}
},
{
"Subject ID":"2995",
"Sample ID":"B0_2995_HILIC_negative",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"B0_2995_HILIC_negative.mzML"}
},
{
"Subject ID":"3216",
"Sample ID":"B0_3216_HILIC_negative",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"B0_3216_HILIC_negative.mzML"}
},
{
"Subject ID":"3219",
"Sample ID":"B0_3219_HILIC_negative",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"B0_3219_HILIC_negative.mzML"}
},
{
"Subject ID":"5021",
"Sample ID":"B0_5021_HILIC_negative",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"B0_5021_HILIC_negative.mzML"}
},
{
"Subject ID":"5023",
"Sample ID":"B0_5023_HILIC_negative",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"B0_5023_HILIC_negative.mzML"}
},
{
"Subject ID":"5194",
"Sample ID":"B0_5194_HILIC_negative",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"B0_5194_HILIC_negative.mzML"}
},
{
"Subject ID":"5247",
"Sample ID":"B0_5247_HILIC_negative",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"B0_5247_HILIC_negative.mzML"}
},
{
"Subject ID":"6952",
"Sample ID":"A0_6952_HILIC_negative",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"A0_6952_HILIC_negative.mzML"}
},
{
"Subject ID":"7348",
"Sample ID":"A0_7348_HILIC_negative",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"A0_7348_HILIC_negative.mzML"}
},
{
"Subject ID":"7573",
"Sample ID":"A0_7573_HILIC_negative",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"A0_7573_HILIC_negative.mzML"}
},
{
"Subject ID":"7611",
"Sample ID":"A0_7611_HILIC_negative",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"A0_7611_HILIC_negative.mzML"}
},
{
"Subject ID":"3796",
"Sample ID":"B1_3796_HILIC_negative",
"Factors":{"Model":"M1"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"B1_3796_HILIC_negative.mzML"}
},
{
"Subject ID":"3800",
"Sample ID":"B1_3800_HILIC_negative",
"Factors":{"Model":"M1"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"B1_3800_HILIC_negative.mzML"}
},
{
"Subject ID":"3801",
"Sample ID":"B1_3801_HILIC_negative",
"Factors":{"Model":"M1"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"B1_3801_HILIC_negative.mzML"}
},
{
"Subject ID":"7049",
"Sample ID":"A1_7049_HILIC_negative",
"Factors":{"Model":"M1"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"A1_7049_HILIC_negative.mzML"}
},
{
"Subject ID":"7050",
"Sample ID":"A1_7050_HILIC_negative",
"Factors":{"Model":"M1"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"A1_7050_HILIC_negative.mzML"}
},
{
"Subject ID":"7130",
"Sample ID":"A1_7130_HILIC_negative",
"Factors":{"Model":"M1"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"A1_7130_HILIC_negative.mzML"}
},
{
"Subject ID":"7575",
"Sample ID":"A1_7575_HILIC_negative",
"Factors":{"Model":"M1"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"A1_7575_HILIC_negative.mzML"}
},
{
"Subject ID":"6680",
"Sample ID":"A2_6680_HILIC_negative",
"Factors":{"Model":"M2"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"A2_6680_HILIC_negative.mzML"}
},
{
"Subject ID":"2600",
"Sample ID":"B3_2600_HILIC_negative",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"B3_2600_HILIC_negative.mzML"}
},
{
"Subject ID":"2602",
"Sample ID":"B3_2602_HILIC_negative",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"B3_2602_HILIC_negative.mzML"}
},
{
"Subject ID":"2610",
"Sample ID":"B3_2610_HILIC_negative",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"B3_2610_HILIC_negative.mzML"}
},
{
"Subject ID":"5173",
"Sample ID":"B3_5173_HILIC_negative",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"B3_5173_HILIC_negative.mzML"}
},
{
"Subject ID":"5177",
"Sample ID":"B3_5177_HILIC_negative",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"B3_5177_HILIC_negative.mzML"}
},
{
"Subject ID":"5248",
"Sample ID":"B3_5248_HILIC_negative",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"B3_5248_HILIC_negative.mzML"}
},
{
"Subject ID":"6701",
"Sample ID":"A2_6701_HILIC_negative",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"A2_6701_HILIC_negative.mzML"}
},
{
"Subject ID":"7119",
"Sample ID":"A3_7119_HILIC_negative",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"A3_7119_HILIC_negative.mzML"}
},
{
"Subject ID":"7121",
"Sample ID":"A3_7121_HILIC_negative",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"A3_7121_HILIC_negative.mzML"}
},
{
"Subject ID":"7351",
"Sample ID":"A3_7351_HILIC_negative",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"A3_7351_HILIC_negative.mzML"}
},
{
"Subject ID":"7741",
"Sample ID":"A3_7741_HILIC_negative",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"A3_7741_HILIC_negative.mzML"}
},
{
"Subject ID":"7344",
"Sample ID":"A2_7344_HILIC_negative",
"Factors":{"Model":"M2"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"A2_7344_HILIC_negative.mzML"}
},
{
"Subject ID":"7743",
"Sample ID":"A2_7743_HILIC_negative",
"Factors":{"Model":"M2"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"A2_7743_HILIC_negative.mzML"}
},
{
"Subject ID":"7152",
"Sample ID":"B2_7152_HILIC_negative",
"Factors":{"Model":"M2"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"B2_7152_HILIC_negative.mzML"}
},
{
"Subject ID":"7350",
"Sample ID":"B2_7350_HILIC_negative",
"Factors":{"Model":"M2"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"B2_7350_HILIC_negative.mzML"}
},
{
"Subject ID":"QC",
"Sample ID":"QC_1_HILIC_negative",
"Factors":{"Model":"QC"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"QC_1_HILIC_negative.mzML"}
},
{
"Subject ID":"QC",
"Sample ID":"QC_2_HILIC_negative",
"Factors":{"Model":"QC"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"QC_2_HILIC_negative.mzML"}
},
{
"Subject ID":"QC",
"Sample ID":"QC_3_HILIC_negative",
"Factors":{"Model":"QC"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"QC_3_HILIC_negative.mzML"}
},
{
"Subject ID":"QC",
"Sample ID":"QC_4_HILIC_negative",
"Factors":{"Model":"QC"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"QC_4_HILIC_negative.mzML"}
},
{
"Subject ID":"QC",
"Sample ID":"QC_5_HILIC_negative",
"Factors":{"Model":"QC"},
"Additional sample data":{"Technique":"HILIC_negative","RAW_FILE_NAME":"QC_5_HILIC_negative.mzML"}
},
{
"Subject ID":"2992",
"Sample ID":"B0_2992_HILIC_positive",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"B0_2992_HILIC_positive.mzML"}
},
{
"Subject ID":"2995",
"Sample ID":"B0_2995_HILIC_positive",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"B0_2995_HILIC_positive.mzML"}
},
{
"Subject ID":"3216",
"Sample ID":"B0_3216_HILIC_positive",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"B0_3216_HILIC_positive.mzML"}
},
{
"Subject ID":"3219",
"Sample ID":"B0_3219_HILIC_positive",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"B0_3219_HILIC_positive.mzML"}
},
{
"Subject ID":"5021",
"Sample ID":"B0_5021_HILIC_positive",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"B0_5021_HILIC_positive.mzML"}
},
{
"Subject ID":"5023",
"Sample ID":"B0_5023_HILIC_positive",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"B0_5023_HILIC_positive.mzML"}
},
{
"Subject ID":"5194",
"Sample ID":"B0_5194_HILIC_positive",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"B0_5194_HILIC_positive.mzML"}
},
{
"Subject ID":"5247",
"Sample ID":"B0_5247_HILIC_positive",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"B0_5247_HILIC_positive.mzML"}
},
{
"Subject ID":"6952",
"Sample ID":"A0_6952_HILIC_positive",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"A0_6952_HILIC_positive.mzML"}
},
{
"Subject ID":"7348",
"Sample ID":"A0_7348_HILIC_positive",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"A0_7348_HILIC_positive.mzML"}
},
{
"Subject ID":"7573",
"Sample ID":"A0_7573_HILIC_positive",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"A0_7573_HILIC_positive.mzML"}
},
{
"Subject ID":"7611",
"Sample ID":"A0_7611_HILIC_positive",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"A0_7611_HILIC_positive.mzML"}
},
{
"Subject ID":"3796",
"Sample ID":"B1_3796_HILIC_positive",
"Factors":{"Model":"M1"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"B1_3796_HILIC_positive.mzML"}
},
{
"Subject ID":"3800",
"Sample ID":"B1_3800_HILIC_positive",
"Factors":{"Model":"M1"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"B1_3800_HILIC_positive.mzML"}
},
{
"Subject ID":"3801",
"Sample ID":"B1_3801_HILIC_positive",
"Factors":{"Model":"M1"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"B1_3801_HILIC_positive.mzML"}
},
{
"Subject ID":"7049",
"Sample ID":"A1_7049_HILIC_positive",
"Factors":{"Model":"M1"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"A1_7049_HILIC_positive.mzML"}
},
{
"Subject ID":"7050",
"Sample ID":"A1_7050_HILIC_positive",
"Factors":{"Model":"M1"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"A1_7050_HILIC_positive.mzML"}
},
{
"Subject ID":"7130",
"Sample ID":"A1_7130_HILIC_positive",
"Factors":{"Model":"M1"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"A1_7130_HILIC_positive.mzML"}
},
{
"Subject ID":"7575",
"Sample ID":"A1_7575_HILIC_positive",
"Factors":{"Model":"M1"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"A1_7575_HILIC_positive.mzML"}
},
{
"Subject ID":"6680",
"Sample ID":"A2_6680_HILIC_positive",
"Factors":{"Model":"M2"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"A2_6680_HILIC_positive.mzML"}
},
{
"Subject ID":"2600",
"Sample ID":"B3_2600_HILIC_positive",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"B3_2600_HILIC_positive.mzML"}
},
{
"Subject ID":"2602",
"Sample ID":"B3_2602_HILIC_positive",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"B3_2602_HILIC_positive.mzML"}
},
{
"Subject ID":"2610",
"Sample ID":"B3_2610_HILIC_positive",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"B3_2610_HILIC_positive.mzML"}
},
{
"Subject ID":"5173",
"Sample ID":"B3_5173_HILIC_positive",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"B3_5173_HILIC_positive.mzML"}
},
{
"Subject ID":"5177",
"Sample ID":"B3_5177_HILIC_positive",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"B3_5177_HILIC_positive.mzML"}
},
{
"Subject ID":"5248",
"Sample ID":"B3_5248_HILIC_positive",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"B3_5248_HILIC_positive.mzML"}
},
{
"Subject ID":"6701",
"Sample ID":"A2_6701_HILIC_positive",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"A2_6701_HILIC_positive.mzML"}
},
{
"Subject ID":"7119",
"Sample ID":"A3_7119_HILIC_positive",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"A3_7119_HILIC_positive.mzML"}
},
{
"Subject ID":"7121",
"Sample ID":"A3_7121_HILIC_positive",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"A3_7121_HILIC_positive.mzML"}
},
{
"Subject ID":"7351",
"Sample ID":"A3_7351_HILIC_positive",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"A3_7351_HILIC_positive.mzML"}
},
{
"Subject ID":"7741",
"Sample ID":"A3_7741_HILIC_positive",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"A3_7741_HILIC_positive.mzML"}
},
{
"Subject ID":"7344",
"Sample ID":"A2_7344_HILIC_positive",
"Factors":{"Model":"M2"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"A2_7344_HILIC_positive.mzML"}
},
{
"Subject ID":"7743",
"Sample ID":"A2_7743_HILIC_positive",
"Factors":{"Model":"M2"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"A2_7743_HILIC_positive.mzML"}
},
{
"Subject ID":"7152",
"Sample ID":"B2_7152_HILIC_positive",
"Factors":{"Model":"M2"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"B2_7152_HILIC_positive.mzML"}
},
{
"Subject ID":"7350",
"Sample ID":"B2_7350_HILIC_positive",
"Factors":{"Model":"M2"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"B2_7350_HILIC_positive.mzML"}
},
{
"Subject ID":"QC",
"Sample ID":"QC_1_HILIC_positive",
"Factors":{"Model":"QC"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"QC_1_HILIC_positive.mzML"}
},
{
"Subject ID":"QC",
"Sample ID":"QC_2_HILIC_positive",
"Factors":{"Model":"QC"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"QC_2_HILIC_positive.mzML"}
},
{
"Subject ID":"QC",
"Sample ID":"QC_3_HILIC_positive",
"Factors":{"Model":"QC"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"QC_3_HILIC_positive.mzML"}
},
{
"Subject ID":"QC",
"Sample ID":"QC_4_HILIC_positive",
"Factors":{"Model":"QC"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"QC_4_HILIC_positive.mzML"}
},
{
"Subject ID":"QC",
"Sample ID":"QC_5_HILIC_positive",
"Factors":{"Model":"QC"},
"Additional sample data":{"Technique":"HILIC_positive","RAW_FILE_NAME":"QC_5_HILIC_positive.mzML"}
},
{
"Subject ID":"2992",
"Sample ID":"B0_2992_Lipidomics_negative",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"B0_2992_Lipidomics_negative.mzML"}
},
{
"Subject ID":"2995",
"Sample ID":"B0_2995_Lipidomics_negative",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"B0_2995_Lipidomics_negative.mzML"}
},
{
"Subject ID":"3216",
"Sample ID":"B0_3216_Lipidomics_negative",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"B0_3216_Lipidomics_negative.mzML"}
},
{
"Subject ID":"3219",
"Sample ID":"B0_3219_Lipidomics_negative",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"B0_3219_Lipidomics_negative.mzML"}
},
{
"Subject ID":"5021",
"Sample ID":"B0_5021_Lipidomics_negative",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"B0_5021_Lipidomics_negative.mzML"}
},
{
"Subject ID":"5023",
"Sample ID":"B0_5023_Lipidomics_negative",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"B0_5023_Lipidomics_negative.mzML"}
},
{
"Subject ID":"5194",
"Sample ID":"B0_5194_Lipidomics_negative",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"B0_5194_Lipidomics_negative.mzML"}
},
{
"Subject ID":"5247",
"Sample ID":"B0_5247_Lipidomics_negative",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"B0_5247_Lipidomics_negative.mzML"}
},
{
"Subject ID":"6952",
"Sample ID":"A0_6952_Lipidomics_negative",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"A0_6952_Lipidomics_negative.mzML"}
},
{
"Subject ID":"7348",
"Sample ID":"A0_7348_Lipidomics_negative",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"A0_7348_Lipidomics_negative.mzML"}
},
{
"Subject ID":"7573",
"Sample ID":"A0_7573_Lipidomics_negative",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"A0_7573_Lipidomics_negative.mzML"}
},
{
"Subject ID":"7611",
"Sample ID":"A0_7611_Lipidomics_negative",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"A0_7611_Lipidomics_negative.mzML"}
},
{
"Subject ID":"3796",
"Sample ID":"B1_3796_Lipidomics_negative",
"Factors":{"Model":"M1"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"B1_3796_Lipidomics_negative.mzML"}
},
{
"Subject ID":"3800",
"Sample ID":"B1_3800_Lipidomics_negative",
"Factors":{"Model":"M1"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"B1_3800_Lipidomics_negative.mzML"}
},
{
"Subject ID":"3801",
"Sample ID":"B1_3801_Lipidomics_negative",
"Factors":{"Model":"M1"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"B1_3801_Lipidomics_negative.mzML"}
},
{
"Subject ID":"7049",
"Sample ID":"A1_7049_Lipidomics_negative",
"Factors":{"Model":"M1"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"A1_7049_Lipidomics_negative.mzML"}
},
{
"Subject ID":"7050",
"Sample ID":"A1_7050_Lipidomics_negative",
"Factors":{"Model":"M1"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"A1_7050_Lipidomics_negative.mzML"}
},
{
"Subject ID":"7130",
"Sample ID":"A1_7130_Lipidomics_negative",
"Factors":{"Model":"M1"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"A1_7130_Lipidomics_negative.mzML"}
},
{
"Subject ID":"7575",
"Sample ID":"A1_7575_Lipidomics_negative",
"Factors":{"Model":"M1"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"A1_7575_Lipidomics_negative.mzML"}
},
{
"Subject ID":"6680",
"Sample ID":"A2_6680_Lipidomics_negative",
"Factors":{"Model":"M2"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"A2_6680_Lipidomics_negative.mzML"}
},
{
"Subject ID":"2600",
"Sample ID":"B3_2600_Lipidomics_negative",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"B3_2600_Lipidomics_negative.mzML"}
},
{
"Subject ID":"2602",
"Sample ID":"B3_2602_Lipidomics_negative",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"B3_2602_Lipidomics_negative.mzML"}
},
{
"Subject ID":"2610",
"Sample ID":"B3_2610_Lipidomics_negative",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"B3_2610_Lipidomics_negative.mzML"}
},
{
"Subject ID":"5173",
"Sample ID":"B3_5173_Lipidomics_negative",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"B3_5173_Lipidomics_negative.mzML"}
},
{
"Subject ID":"5177",
"Sample ID":"B3_5177_Lipidomics_negative",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"B3_5177_Lipidomics_negative.mzML"}
},
{
"Subject ID":"5248",
"Sample ID":"B3_5248_Lipidomics_negative",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"B3_5248_Lipidomics_negative.mzML"}
},
{
"Subject ID":"6701",
"Sample ID":"A2_6701_Lipidomics_negative",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"A2_6701_Lipidomics_negative.mzML"}
},
{
"Subject ID":"7119",
"Sample ID":"A3_7119_Lipidomics_negative",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"A3_7119_Lipidomics_negative.mzML"}
},
{
"Subject ID":"7121",
"Sample ID":"A3_7121_Lipidomics_negative",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"A3_7121_Lipidomics_negative.mzML"}
},
{
"Subject ID":"7351",
"Sample ID":"A3_7351_Lipidomics_negative",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"A3_7351_Lipidomics_negative.mzML"}
},
{
"Subject ID":"7741",
"Sample ID":"A3_7741_Lipidomics_negative",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"A3_7741_Lipidomics_negative.mzML"}
},
{
"Subject ID":"7344",
"Sample ID":"A2_7344_Lipidomics_negative",
"Factors":{"Model":"M2"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"A2_7344_Lipidomics_negative.mzML"}
},
{
"Subject ID":"7743",
"Sample ID":"A2_7743_Lipidomics_negative",
"Factors":{"Model":"M2"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"A2_7743_Lipidomics_negative.mzML"}
},
{
"Subject ID":"7152",
"Sample ID":"B2_7152_Lipidomics_negative",
"Factors":{"Model":"M2"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"B2_7152_Lipidomics_negative.mzML"}
},
{
"Subject ID":"7350",
"Sample ID":"B2_7350_Lipidomics_negative",
"Factors":{"Model":"M2"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"B2_7350_Lipidomics_negative.mzML"}
},
{
"Subject ID":"QC",
"Sample ID":"QC_1_Lipidomics_negative",
"Factors":{"Model":"QC"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"QC_1_Lipidomics_negative.mzML"}
},
{
"Subject ID":"QC",
"Sample ID":"QC_2_Lipidomics_negative",
"Factors":{"Model":"QC"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"QC_2_Lipidomics_negative.mzML"}
},
{
"Subject ID":"QC",
"Sample ID":"QC_3_Lipidomics_negative",
"Factors":{"Model":"QC"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"QC_3_Lipidomics_negative.mzML"}
},
{
"Subject ID":"QC",
"Sample ID":"QC_4_Lipidomics_negative",
"Factors":{"Model":"QC"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"QC_4_Lipidomics_negative.mzML"}
},
{
"Subject ID":"QC",
"Sample ID":"QC_5_Lipidomics_negative",
"Factors":{"Model":"QC"},
"Additional sample data":{"Technique":"Lipidomics_negative","RAW_FILE_NAME":"QC_5_Lipidomics_negative.mzML"}
},
{
"Subject ID":"7344",
"Sample ID":"A2_7344_Lipidomics_positive",
"Factors":{"Model":"M2"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"A2_7344_Lipidomics_positive.mzML"}
},
{
"Subject ID":"2992",
"Sample ID":"B0_2992_Lipidomics_positive",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"B0_2992_Lipidomics_positive.mzML"}
},
{
"Subject ID":"2995",
"Sample ID":"B0_2995_Lipidomics_positive",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"B0_2995_Lipidomics_positive.mzML"}
},
{
"Subject ID":"3216",
"Sample ID":"B0_3216_Lipidomics_positive",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"B0_3216_Lipidomics_positive.mzML"}
},
{
"Subject ID":"3219",
"Sample ID":"B0_3219_Lipidomics_positive",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"B0_3219_Lipidomics_positive.mzML"}
},
{
"Subject ID":"5021",
"Sample ID":"B0_5021_Lipidomics_positive",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"B0_5021_Lipidomics_positive.mzML"}
},
{
"Subject ID":"5023",
"Sample ID":"B0_5023_Lipidomics_positive",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"B0_5023_Lipidomics_positive.mzML"}
},
{
"Subject ID":"5194",
"Sample ID":"B0_5194_Lipidomics_positive",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"B0_5194_Lipidomics_positive.mzML"}
},
{
"Subject ID":"5247",
"Sample ID":"B0_5247_Lipidomics_positive",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"B0_5247_Lipidomics_positive.mzML"}
},
{
"Subject ID":"6952",
"Sample ID":"A0_6952_Lipidomics_positive",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"A0_6952_Lipidomics_positive.mzML"}
},
{
"Subject ID":"7348",
"Sample ID":"A0_7348_Lipidomics_positive",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"A0_7348_Lipidomics_positive.mzML"}
},
{
"Subject ID":"7573",
"Sample ID":"A0_7573_Lipidomics_positive",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"A0_7573_Lipidomics_positive.mzML"}
},
{
"Subject ID":"7611",
"Sample ID":"A0_7611_Lipidomics_positive",
"Factors":{"Model":"M0"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"A0_7611_Lipidomics_positive.mzML"}
},
{
"Subject ID":"3796",
"Sample ID":"B1_3796_Lipidomics_positive",
"Factors":{"Model":"M1"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"B1_3796_Lipidomics_positive.mzML"}
},
{
"Subject ID":"3800",
"Sample ID":"B1_3800_Lipidomics_positive",
"Factors":{"Model":"M1"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"B1_3800_Lipidomics_positive.mzML"}
},
{
"Subject ID":"3801",
"Sample ID":"B1_3801_Lipidomics_positive",
"Factors":{"Model":"M1"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"B1_3801_Lipidomics_positive.mzML"}
},
{
"Subject ID":"7049",
"Sample ID":"A1_7049_Lipidomics_positive",
"Factors":{"Model":"M1"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"A1_7049_Lipidomics_positive.mzML"}
},
{
"Subject ID":"7050",
"Sample ID":"A1_7050_Lipidomics_positive",
"Factors":{"Model":"M1"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"A1_7050_Lipidomics_positive.mzML"}
},
{
"Subject ID":"7130",
"Sample ID":"A1_7130_Lipidomics_positive",
"Factors":{"Model":"M1"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"A1_7130_Lipidomics_positive.mzML"}
},
{
"Subject ID":"7575",
"Sample ID":"A1_7575_Lipidomics_positive",
"Factors":{"Model":"M1"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"A1_7575_Lipidomics_positive.mzML"}
},
{
"Subject ID":"6680",
"Sample ID":"A2_6680_Lipidomics_positive",
"Factors":{"Model":"M2"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"A2_6680_Lipidomics_positive.mzML"}
},
{
"Subject ID":"7152",
"Sample ID":"B2_7152_Lipidomics_positive",
"Factors":{"Model":"M2"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"B2_7152_Lipidomics_positive.mzML"}
},
{
"Subject ID":"2600",
"Sample ID":"B3_2600_Lipidomics_positive",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"B3_2600_Lipidomics_positive.mzML"}
},
{
"Subject ID":"2602",
"Sample ID":"B3_2602_Lipidomics_positive",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"B3_2602_Lipidomics_positive.mzML"}
},
{
"Subject ID":"2610",
"Sample ID":"B3_2610_Lipidomics_positive",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"B3_2610_Lipidomics_positive.mzML"}
},
{
"Subject ID":"5173",
"Sample ID":"B3_5173_Lipidomics_positive",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"B3_5173_Lipidomics_positive.mzML"}
},
{
"Subject ID":"5177",
"Sample ID":"B3_5177_Lipidomics_positive",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"B3_5177_Lipidomics_positive.mzML"}
},
{
"Subject ID":"5248",
"Sample ID":"B3_5248_Lipidomics_positive",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"B3_5248_Lipidomics_positive.mzML"}
},
{
"Subject ID":"6701",
"Sample ID":"A2_6701_Lipidomics_positive",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"A2_6701_Lipidomics_positive.mzML"}
},
{
"Subject ID":"7119",
"Sample ID":"A3_7119_Lipidomics_positive",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"A3_7119_Lipidomics_positive.mzML"}
},
{
"Subject ID":"7121",
"Sample ID":"A3_7121_Lipidomics_positive",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"A3_7121_Lipidomics_positive.mzML"}
},
{
"Subject ID":"7351",
"Sample ID":"A3_7351_Lipidomics_positive",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"A3_7351_Lipidomics_positive.mzML"}
},
{
"Subject ID":"7741",
"Sample ID":"A3_7741_Lipidomics_positive",
"Factors":{"Model":"M3"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"A3_7741_Lipidomics_positive.mzML"}
},
{
"Subject ID":"7743",
"Sample ID":"A2_7743_Lipidomics_positive",
"Factors":{"Model":"M2"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"A2_7743_Lipidomics_positive.mzML"}
},
{
"Subject ID":"7350",
"Sample ID":"B2_7350_Lipidomics_positive",
"Factors":{"Model":"M2"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"B2_7350_Lipidomics_positive.mzML"}
},
{
"Subject ID":"QC",
"Sample ID":"QC_1_Lipidomics_positive",
"Factors":{"Model":"QC"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"QC_1_Lipidomics_positive.mzML"}
},
{
"Subject ID":"QC",
"Sample ID":"QC_2_Lipidomics_positive",
"Factors":{"Model":"QC"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"QC_2_Lipidomics_positive.mzML"}
},
{
"Subject ID":"QC",
"Sample ID":"QC_3_Lipidomics_positive",
"Factors":{"Model":"QC"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"QC_3_Lipidomics_positive.mzML"}
},
{
"Subject ID":"QC",
"Sample ID":"QC_4_Lipidomics_positive",
"Factors":{"Model":"QC"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"QC_4_Lipidomics_positive.mzML"}
},
{
"Subject ID":"QC",
"Sample ID":"QC_5_Lipidomics_positive",
"Factors":{"Model":"QC"},
"Additional sample data":{"Technique":"Lipidomics_positive","RAW_FILE_NAME":"QC_5_Lipidomics_positive.mzML"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Blood samples were collected during a right heart catheterization from the pulmonary artery and plasma was formed and frozen at -80ºC.","SAMPLE_TYPE":"Blood (plasma)"},

"TREATMENT":{"TREATMENT_SUMMARY":"Four different experimental models were generated: M1: a model of chronic postcapillary pulmonary hypertension by surgical nonrestrictive banding of the pulmonary veins; M2: a model of chronic pulmonary hypertension by aorto-pulmonary shunting; M3: a model of right ventricular pressure overload without pulmonary hypertension by pulmonary artery banding; and M0 a sham procedure."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"For the lipidomics protocol 800μl of a solvent mixture with internal standard (made from 75ml chloroform, 75 ml MTBE,100ml MeOH,937.5ul D-palmitic acid and 40 μl C17-sphinganine) were added to 40μl of plasma. Samples were vortexed for 30 seconds, then they were shaken at 1000rpm for 20 min at room temperature, finally they were centrifuged 5 min at 3000 rpm and supernatant was transferred to LC-MS vials. For the HILIC sample preparation 300μl of MeOH were added to 100μl of plasma and it was vortexed for 2 minutes. Samples were left on ice for 10 minutes and then centrifuged at 18,670 g for 10 minutes at 4ºC. Finally, the supernatant was collected and transferred to an LC-MS vial."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Agilent 1290 Infinity II","COLUMN_NAME":"Waters XBridge BEH Amide (100 x 2.1mm,2.5um)","SOLVENT_A":"100% water, 10 mM ammonium acetate, 2.5 μM InfinityLab deactivator additive (Agilent, P-N. 5191-4506)","SOLVENT_B":"15% water/85% acetonitrile, 10 mM ammonium acetate, 2.5 μM InfinityLab deactivator additive (Agilent, P-N. 5191-4506)","FLOW_GRADIENT":"0.0-2.0 min: 96% B, 2.0-5.5 min: 88% B, 5.5- 8.5 min: 88% B, 8.5-9.0 min: 86% B, 9.0-14.0 min: 86% B, 14.0-17.0 min: 82% B, 17.0-23.0 min: 65% B, 23.0-24.0 min: 65%B, 24.0-24.5 min: 96% B, 24.5-29.0 min: 96% B","FLOW_RATE":"0.25 mL/min","COLUMN_TEMPERATURE":"25 ºC"},

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

"MS":{"INSTRUMENT_NAME":"Agilent 6560 Ion Mobility","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"The gas temperature in the ion source was 225 ºC, the flow was 13 L/min, the pressure in the nebulizer was 35 psig, the temperature of the sheath gas was 350 ºC and the flow of the sheath gas was 12 L/min. The voltage of the capillary was set at 3500 V, the nozzle voltage was 0 L/min, the fragmentor was set at 125 V in the 6545 system and at 400 V in the 6560 system, the voltage in the skimmer was 45 V and the OctopoleRFPeak was 750. After data acquisition, the data files were inspected using Agilent MassHunter Qualitative 10. MassHunter Profinder 10 was used for alignment of data, the deconvolution process and peak integration. Features were tentatively annotated based on the MS1 data using the online toll CEU Mass Mediator.","MS_RESULTS_FILE":"ST002568_AN004231_Results.txt UNITS:Peak area Has m/z:Yes Has RT:Yes RT units:Minutes"}

}