#METABOLOMICS WORKBENCH siddia_20220627_085711 DATATRACK_ID:3319 STUDY_ID:ST002454 ANALYSIS_ID:AN004004 VERSION 1 CREATED_ON 02-08-2024 #PROJECT PR:PROJECT_TITLE Bloody Mary (BM21)- Serial mixtures of vegetable juice/water and human plasma. PR:PROJECT_SUMMARY Metabolomics holds the promise to measure and quantify small molecules PR:PROJECT_SUMMARY comprehensively in biological systems, and LC-MS (liquid chromatography coupled PR:PROJECT_SUMMARY mass spectrometry) has become the leading technology in the field. Significant PR:PROJECT_SUMMARY challenges still exist in the computational processing of data from LC-MS PR:PROJECT_SUMMARY metabolomic experiments into metabolite features, including provenance and PR:PROJECT_SUMMARY reproducibility of the current software tools. We present here, an experiment PR:PROJECT_SUMMARY designed as serial mixtures of vegetable juice/Water and human plasma at varying PR:PROJECT_SUMMARY ratios, nicknamed “Bloody Mary 21(BM21) to test semi-quantification at PR:PROJECT_SUMMARY –omics scale. A subset of features are expected to have their peak areas PR:PROJECT_SUMMARY correlated with the mixing ratio. This dataset provides an opportunity to be PR:PROJECT_SUMMARY used as benchmark to assess the performance in quantification of processing PR:PROJECT_SUMMARY softwares. PR:INSTITUTE The Jackson Laboratory for Genomic Medicine PR:LABORATORY Shuzhao Li Lab PR:LAST_NAME Siddiqa PR:FIRST_NAME Amnah PR:ADDRESS 10 Discovery Dr, Farmington, CT 06032 PR:EMAIL amnah.siddiqa@jax.org PR:PHONE 4049187223 PR:DOI http://dx.doi.org/10.21228/M86Q7N #STUDY ST:STUDY_TITLE Bloody Mary (BM21)- Serial mixtures of vegetable juice /water and human plasma. ST:STUDY_SUMMARY Metabolomics holds the promise to measure and quantify small molecules ST:STUDY_SUMMARY comprehensively in biological systems, and LC-MS (liquid chromatography coupled ST:STUDY_SUMMARY mass spectrometry) has become the leading technology in the field. Significant ST:STUDY_SUMMARY challenges still exist in the computational processing of data from LC-MS ST:STUDY_SUMMARY metabolomic experiments into metabolite features, including provenance and ST:STUDY_SUMMARY reproducibility of the current software tools. We present here, an experiment ST:STUDY_SUMMARY designed as serial mixtures of vegetable juice/Water and human plasma at varying ST:STUDY_SUMMARY ratios, nicknamed “Bloody Mary 21(BM21) to test semi-quantification at ST:STUDY_SUMMARY –omics scale. A subset of features are expected to have their peak areas ST:STUDY_SUMMARY correlated with the mixing ratio. This dataset provides an opportunity to be ST:STUDY_SUMMARY used as benchmark to assess the performance in quantification of processing ST:STUDY_SUMMARY softwares. Overall, the BM21 experiment included a serial mixture of human ST:STUDY_SUMMARY plasma (Qstd) and vegetable juice (or water), at the ratio of 1024:1, 256:1, ST:STUDY_SUMMARY 64:1, 16:1, 4:1, 1:1, 1:4, 1:16, 1:64, 1:256 and 1:1024. Along with the 11 ST:STUDY_SUMMARY serial mixture samples, 100% vegetable juice and 100% plasma were also included. ST:STUDY_SUMMARY All samples were analyzed in triplicates. ST:INSTITUTE The Jackson Laboratory for Genomic Medicine ST:LABORATORY Shuzhao Li Lab ST:LAST_NAME Siddiqa ST:FIRST_NAME Amnah ST:ADDRESS 10 Discovery Dr, Farmington, CT 06032 ST:EMAIL amnah.siddiqa@jax.org ST:PHONE 404-9187223 ST:SUBMIT_DATE 2022-06-27 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - Blank_20211013_001 Factor_Dilutionseries:Blank RAW_FILE_NAME=Blank_20211013_001.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - Blank_20211013_002 Factor_Dilutionseries:Blank RAW_FILE_NAME=Blank_20211013_002.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - Blank_20211013_003 Factor_Dilutionseries:Blank RAW_FILE_NAME=Blank_20211013_003.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - Blank_20211013_004 Factor_Dilutionseries:Blank RAW_FILE_NAME=Blank_20211013_004.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - Blank_20211013_005_20211019161135 Factor_Dilutionseries:Blank RAW_FILE_NAME=Blank_20211013_005_20211019161135.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - Blank_20211013_006_20211019161707 Factor_Dilutionseries:Blank RAW_FILE_NAME=Blank_20211013_006_20211019161707.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - Blank_20211020_001 Factor_Dilutionseries:Blank RAW_FILE_NAME=Blank_20211020_001.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - Blank_20211020_002 Factor_Dilutionseries:Blank RAW_FILE_NAME=Blank_20211020_002.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - Blank_20211020_003 Factor_Dilutionseries:Blank RAW_FILE_NAME=Blank_20211020_003.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - Blank_20211020_004 Factor_Dilutionseries:Blank RAW_FILE_NAME=Blank_20211020_004.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - Blank_20211020_005 Factor_Dilutionseries:Blank RAW_FILE_NAME=Blank_20211020_005.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - Blank_20211020_006 Factor_Dilutionseries:Blank RAW_FILE_NAME=Blank_20211020_006.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - Blank_std_20211013_1_001 Factor_Dilutionseries:Blank_Std RAW_FILE_NAME=Blank_std_20211013_1_001.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - Blank_std_20211013_1_002 Factor_Dilutionseries:Blank_Std RAW_FILE_NAME=Blank_std_20211013_1_002.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - Blank_std_20211020_1_001 Factor_Dilutionseries:Blank_Std RAW_FILE_NAME=Blank_std_20211020_1_001.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - Blank_std_20211020_1_002 Factor_Dilutionseries:Blank_Std RAW_FILE_NAME=Blank_std_20211020_1_002.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_005 Factor_Dilutionseries:Pooled RAW_FILE_NAME=MT_20211013_005.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_006 Factor_Dilutionseries:Pooled RAW_FILE_NAME=MT_20211013_006.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_047 Factor_Dilutionseries:Pooled RAW_FILE_NAME=MT_20211013_047.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_048 Factor_Dilutionseries:Pooled RAW_FILE_NAME=MT_20211013_048.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_081 Factor_Dilutionseries:Pooled RAW_FILE_NAME=MT_20211013_081.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_082 Factor_Dilutionseries:Pooled RAW_FILE_NAME=MT_20211013_082.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_005 Factor_Dilutionseries:Pooled RAW_FILE_NAME=MT_20211020_005.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_006 Factor_Dilutionseries:Pooled RAW_FILE_NAME=MT_20211020_006.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_047 Factor_Dilutionseries:Pooled RAW_FILE_NAME=MT_20211020_047.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_048 Factor_Dilutionseries:Pooled RAW_FILE_NAME=MT_20211020_048.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_081 Factor_Dilutionseries:Pooled RAW_FILE_NAME=MT_20211020_081.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_082 Factor_Dilutionseries:Pooled RAW_FILE_NAME=MT_20211020_082.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_001 Factor_Dilutionseries:QC RAW_FILE_NAME=MT_20211013_001.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_002 Factor_Dilutionseries:QC RAW_FILE_NAME=MT_20211013_002.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_003 Factor_Dilutionseries:QC RAW_FILE_NAME=MT_20211013_003.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_004 Factor_Dilutionseries:QC RAW_FILE_NAME=MT_20211013_004.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_083 Factor_Dilutionseries:QC RAW_FILE_NAME=MT_20211013_083.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_084 Factor_Dilutionseries:QC RAW_FILE_NAME=MT_20211013_084.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_001 Factor_Dilutionseries:QC RAW_FILE_NAME=MT_20211020_001.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_002 Factor_Dilutionseries:QC RAW_FILE_NAME=MT_20211020_002.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_003 Factor_Dilutionseries:QC RAW_FILE_NAME=MT_20211020_003.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_004 Factor_Dilutionseries:QC RAW_FILE_NAME=MT_20211020_004.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_083 Factor_Dilutionseries:QC RAW_FILE_NAME=MT_20211020_083.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_084 Factor_Dilutionseries:QC RAW_FILE_NAME=MT_20211020_084.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_009 Factor_Dilutionseries:Qstd;H2O(0;1)_rep1 RAW_FILE_NAME=MT_20211020_009.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_010 Factor_Dilutionseries:Qstd;H2O(0;1)_rep1 RAW_FILE_NAME=MT_20211020_010.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_073 Factor_Dilutionseries:Qstd;H2O(1024;1)_rep1 RAW_FILE_NAME=MT_20211020_073.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_074 Factor_Dilutionseries:Qstd;H2O(1024;1)_rep1 RAW_FILE_NAME=MT_20211020_074.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_075 Factor_Dilutionseries:Qstd;H2O(1024;1)_rep2 RAW_FILE_NAME=MT_20211020_075.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_076 Factor_Dilutionseries:Qstd;H2O(1024;1)_rep2 RAW_FILE_NAME=MT_20211020_076.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_077 Factor_Dilutionseries:Qstd;H2O(1024;1)_rep3 RAW_FILE_NAME=MT_20211020_077.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_078 Factor_Dilutionseries:Qstd;H2O(1024;1)_rep3 RAW_FILE_NAME=MT_20211020_078.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_079 Factor_Dilutionseries:Qstd;H2O(1;0)_rep1 RAW_FILE_NAME=MT_20211020_079.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_080 Factor_Dilutionseries:Qstd;H2O(1;0)_rep1 RAW_FILE_NAME=MT_20211020_080.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_011 Factor_Dilutionseries:Qstd;H2O(1;1024)_rep1 RAW_FILE_NAME=MT_20211020_011.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_012 Factor_Dilutionseries:Qstd;H2O(1;1024)_rep1 RAW_FILE_NAME=MT_20211020_012.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_013 Factor_Dilutionseries:Qstd;H2O(1;1024)_rep2 RAW_FILE_NAME=MT_20211020_013.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_014 Factor_Dilutionseries:Qstd;H2O(1;1024)_rep2 RAW_FILE_NAME=MT_20211020_014.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_015 Factor_Dilutionseries:Qstd;H2O(1;1024)_rep3 RAW_FILE_NAME=MT_20211020_015.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_016 Factor_Dilutionseries:Qstd;H2O(1;1024)_rep3 RAW_FILE_NAME=MT_20211020_016.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_029 Factor_Dilutionseries:Qstd;H2O(1;16)_rep1 RAW_FILE_NAME=MT_20211020_029.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_030 Factor_Dilutionseries:Qstd;H2O(1;16)_rep1 RAW_FILE_NAME=MT_20211020_030.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_031 Factor_Dilutionseries:Qstd;H2O(1;16)_rep2 RAW_FILE_NAME=MT_20211020_031.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_032 Factor_Dilutionseries:Qstd;H2O(1;16)_rep2 RAW_FILE_NAME=MT_20211020_032.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_033 Factor_Dilutionseries:Qstd;H2O(1;16)_rep3 RAW_FILE_NAME=MT_20211020_033.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_034 Factor_Dilutionseries:Qstd;H2O(1;16)_rep3 RAW_FILE_NAME=MT_20211020_034.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_041 Factor_Dilutionseries:Qstd;H2O(1;1)_rep1 RAW_FILE_NAME=MT_20211020_041.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_042 Factor_Dilutionseries:Qstd;H2O(1;1)_rep1 RAW_FILE_NAME=MT_20211020_042.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_043 Factor_Dilutionseries:Qstd;H2O(1;1)_rep2 RAW_FILE_NAME=MT_20211020_043.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_044 Factor_Dilutionseries:Qstd;H2O(1;1)_rep2 RAW_FILE_NAME=MT_20211020_044.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_045 Factor_Dilutionseries:Qstd;H2O(1;1)_rep3 RAW_FILE_NAME=MT_20211020_045.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_046 Factor_Dilutionseries:Qstd;H2O(1;1)_rep3 RAW_FILE_NAME=MT_20211020_046.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_017 Factor_Dilutionseries:Qstd;H2O(1;256)_rep1 RAW_FILE_NAME=MT_20211020_017.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_018 Factor_Dilutionseries:Qstd;H2O(1;256)_rep1 RAW_FILE_NAME=MT_20211020_018.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_019 Factor_Dilutionseries:Qstd;H2O(1;256)_rep2 RAW_FILE_NAME=MT_20211020_019.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_020 Factor_Dilutionseries:Qstd;H2O(1;256)_rep2 RAW_FILE_NAME=MT_20211020_020.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_021 Factor_Dilutionseries:Qstd;H2O(1;256)_rep3 RAW_FILE_NAME=MT_20211020_021.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_022 Factor_Dilutionseries:Qstd;H2O(1;256)_rep3 RAW_FILE_NAME=MT_20211020_022.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_035 Factor_Dilutionseries:Qstd;H2O(1;4)_rep1 RAW_FILE_NAME=MT_20211020_035.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_036 Factor_Dilutionseries:Qstd;H2O(1;4)_rep1 RAW_FILE_NAME=MT_20211020_036.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_037 Factor_Dilutionseries:Qstd;H2O(1;4)_rep2 RAW_FILE_NAME=MT_20211020_037.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_038 Factor_Dilutionseries:Qstd;H2O(1;4)_rep2 RAW_FILE_NAME=MT_20211020_038.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_039 Factor_Dilutionseries:Qstd;H2O(1;4)_rep3 RAW_FILE_NAME=MT_20211020_039.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_040 Factor_Dilutionseries:Qstd;H2O(1;4)_rep3 RAW_FILE_NAME=MT_20211020_040.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_055 Factor_Dilutionseries:Qstd;H2O(16;1)_rep1 RAW_FILE_NAME=MT_20211020_055.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_056 Factor_Dilutionseries:Qstd;H2O(16;1)_rep1 RAW_FILE_NAME=MT_20211020_056.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_057 Factor_Dilutionseries:Qstd;H2O(16;1)_rep2 RAW_FILE_NAME=MT_20211020_057.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_058 Factor_Dilutionseries:Qstd;H2O(16;1)_rep2 RAW_FILE_NAME=MT_20211020_058.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_059 Factor_Dilutionseries:Qstd;H2O(16;1)_rep3 RAW_FILE_NAME=MT_20211020_059.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_060 Factor_Dilutionseries:Qstd;H2O(16;1)_rep3 RAW_FILE_NAME=MT_20211020_060.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_023 Factor_Dilutionseries:Qstd;H2O(1;64)_rep1 RAW_FILE_NAME=MT_20211020_023.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_024 Factor_Dilutionseries:Qstd;H2O(1;64)_rep1 RAW_FILE_NAME=MT_20211020_024.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_025 Factor_Dilutionseries:Qstd;H2O(1;64)_rep2 RAW_FILE_NAME=MT_20211020_025.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_026 Factor_Dilutionseries:Qstd;H2O(1;64)_rep2 RAW_FILE_NAME=MT_20211020_026.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_027 Factor_Dilutionseries:Qstd;H2O(1;64)_rep3 RAW_FILE_NAME=MT_20211020_027.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_028 Factor_Dilutionseries:Qstd;H2O(1;64)_rep3 RAW_FILE_NAME=MT_20211020_028.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_067 Factor_Dilutionseries:Qstd;H2O(256;1)_rep1 RAW_FILE_NAME=MT_20211020_067.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_068 Factor_Dilutionseries:Qstd;H2O(256;1)_rep1 RAW_FILE_NAME=MT_20211020_068.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_069 Factor_Dilutionseries:Qstd;H2O(256;1)_rep2 RAW_FILE_NAME=MT_20211020_069.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_070 Factor_Dilutionseries:Qstd;H2O(256;1)_rep2 RAW_FILE_NAME=MT_20211020_070.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_071 Factor_Dilutionseries:Qstd;H2O(256;1)_rep3 RAW_FILE_NAME=MT_20211020_071.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_072 Factor_Dilutionseries:Qstd;H2O(256;1)_rep3 RAW_FILE_NAME=MT_20211020_072.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_049 Factor_Dilutionseries:Qstd;H2O(4;1)_rep1 RAW_FILE_NAME=MT_20211020_049.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_050 Factor_Dilutionseries:Qstd;H2O(4;1)_rep1 RAW_FILE_NAME=MT_20211020_050.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_051 Factor_Dilutionseries:Qstd;H2O(4;1)_rep2 RAW_FILE_NAME=MT_20211020_051.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_052 Factor_Dilutionseries:Qstd;H2O(4;1)_rep2 RAW_FILE_NAME=MT_20211020_052.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_053 Factor_Dilutionseries:Qstd;H2O(4;1)_rep3 RAW_FILE_NAME=MT_20211020_053.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_054 Factor_Dilutionseries:Qstd;H2O(4;1)_rep3 RAW_FILE_NAME=MT_20211020_054.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_061 Factor_Dilutionseries:Qstd;H2O(64;1)_rep1 RAW_FILE_NAME=MT_20211020_061.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_062 Factor_Dilutionseries:Qstd;H2O(64;1)_rep1 RAW_FILE_NAME=MT_20211020_062.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_063 Factor_Dilutionseries:Qstd;H2O(64;1)_rep2 RAW_FILE_NAME=MT_20211020_063.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_064 Factor_Dilutionseries:Qstd;H2O(64;1)_rep2 RAW_FILE_NAME=MT_20211020_064.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_065 Factor_Dilutionseries:Qstd;H2O(64;1)_rep3 RAW_FILE_NAME=MT_20211020_065.raw; Method=HILICPos; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211020_066 Factor_Dilutionseries:Qstd;H2O(64;1)_rep3 RAW_FILE_NAME=MT_20211020_066.raw; Method=RPNeg; Experiment=WaterPlasmaMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_009 Factor_Dilutionseries:Qstd;Veg(0;1)_rep1 RAW_FILE_NAME=MT_20211013_009.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_010 Factor_Dilutionseries:Qstd;Veg(0;1)_rep1 RAW_FILE_NAME=MT_20211013_010.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_073 Factor_Dilutionseries:Qstd;Veg(1024;1)_rep1 RAW_FILE_NAME=MT_20211013_073.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_074 Factor_Dilutionseries:Qstd;Veg(1024;1)_rep1 RAW_FILE_NAME=MT_20211013_074.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_075 Factor_Dilutionseries:Qstd;Veg(1024;1)_rep2 RAW_FILE_NAME=MT_20211013_075.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_076 Factor_Dilutionseries:Qstd;Veg(1024;1)_rep2 RAW_FILE_NAME=MT_20211013_076.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_077 Factor_Dilutionseries:Qstd;Veg(1024;1)_rep3 RAW_FILE_NAME=MT_20211013_077.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_078 Factor_Dilutionseries:Qstd;Veg(1024;1)_rep3 RAW_FILE_NAME=MT_20211013_078.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_079 Factor_Dilutionseries:Qstd;Veg(1;0)_rep1 RAW_FILE_NAME=MT_20211013_079.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_080 Factor_Dilutionseries:Qstd;Veg(1;0)_rep1 RAW_FILE_NAME=MT_20211013_080.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_011 Factor_Dilutionseries:Qstd;Veg(1;1024)_rep1 RAW_FILE_NAME=MT_20211013_011.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_012 Factor_Dilutionseries:Qstd;Veg(1;1024)_rep1 RAW_FILE_NAME=MT_20211013_012.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_013 Factor_Dilutionseries:Qstd;Veg(1;1024)_rep2 RAW_FILE_NAME=MT_20211013_013.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_014 Factor_Dilutionseries:Qstd;Veg(1;1024)_rep2 RAW_FILE_NAME=MT_20211013_014.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_015 Factor_Dilutionseries:Qstd;Veg(1;1024)_rep3 RAW_FILE_NAME=MT_20211013_015.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_016 Factor_Dilutionseries:Qstd;Veg(1;1024)_rep3 RAW_FILE_NAME=MT_20211013_016.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_029 Factor_Dilutionseries:Qstd;Veg(1;16)_rep1 RAW_FILE_NAME=MT_20211013_029.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_030 Factor_Dilutionseries:Qstd;Veg(1;16)_rep1 RAW_FILE_NAME=MT_20211013_030.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_031 Factor_Dilutionseries:Qstd;Veg(1;16)_rep2 RAW_FILE_NAME=MT_20211013_031.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_032 Factor_Dilutionseries:Qstd;Veg(1;16)_rep2 RAW_FILE_NAME=MT_20211013_032.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_033 Factor_Dilutionseries:Qstd;Veg(1;16)_rep3 RAW_FILE_NAME=MT_20211013_033.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_034 Factor_Dilutionseries:Qstd;Veg(1;16)_rep3 RAW_FILE_NAME=MT_20211013_034.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_041 Factor_Dilutionseries:Qstd;Veg(1;1)_rep1 RAW_FILE_NAME=MT_20211013_041.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_042 Factor_Dilutionseries:Qstd;Veg(1;1)_rep1 RAW_FILE_NAME=MT_20211013_042.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_043 Factor_Dilutionseries:Qstd;Veg(1;1)_rep2 RAW_FILE_NAME=MT_20211013_043.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_044_20211019163859 Factor_Dilutionseries:Qstd;Veg(1;1)_rep2 RAW_FILE_NAME=MT_20211013_044_20211019163859.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_045 Factor_Dilutionseries:Qstd;Veg(1;1)_rep3 RAW_FILE_NAME=MT_20211013_045.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_046 Factor_Dilutionseries:Qstd;Veg(1;1)_rep3 RAW_FILE_NAME=MT_20211013_046.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_017 Factor_Dilutionseries:Qstd;Veg(1;256)_rep1 RAW_FILE_NAME=MT_20211013_017.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_018 Factor_Dilutionseries:Qstd;Veg(1;256)_rep1 RAW_FILE_NAME=MT_20211013_018.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_019 Factor_Dilutionseries:Qstd;Veg(1;256)_rep2 RAW_FILE_NAME=MT_20211013_019.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_020 Factor_Dilutionseries:Qstd;Veg(1;256)_rep2 RAW_FILE_NAME=MT_20211013_020.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_021 Factor_Dilutionseries:Qstd;Veg(1;256)_rep3 RAW_FILE_NAME=MT_20211013_021.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_022 Factor_Dilutionseries:Qstd;Veg(1;256)_rep3 RAW_FILE_NAME=MT_20211013_022.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_035 Factor_Dilutionseries:Qstd;Veg(1;4)_rep1 RAW_FILE_NAME=MT_20211013_035.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_036 Factor_Dilutionseries:Qstd;Veg(1;4)_rep1 RAW_FILE_NAME=MT_20211013_036.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_037 Factor_Dilutionseries:Qstd;Veg(1;4)_rep2 RAW_FILE_NAME=MT_20211013_037.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_038 Factor_Dilutionseries:Qstd;Veg(1;4)_rep2 RAW_FILE_NAME=MT_20211013_038.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_039 Factor_Dilutionseries:Qstd;Veg(1;4)_rep3 RAW_FILE_NAME=MT_20211013_039.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_040 Factor_Dilutionseries:Qstd;Veg(1;4)_rep3 RAW_FILE_NAME=MT_20211013_040.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_055 Factor_Dilutionseries:Qstd;Veg(16;1)_rep1 RAW_FILE_NAME=MT_20211013_055.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_056 Factor_Dilutionseries:Qstd;Veg(16;1)_rep1 RAW_FILE_NAME=MT_20211013_056.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_057 Factor_Dilutionseries:Qstd;Veg(16;1)_rep2 RAW_FILE_NAME=MT_20211013_057.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_058 Factor_Dilutionseries:Qstd;Veg(16;1)_rep2 RAW_FILE_NAME=MT_20211013_058.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_059 Factor_Dilutionseries:Qstd;Veg(16;1)_rep3 RAW_FILE_NAME=MT_20211013_059.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_060 Factor_Dilutionseries:Qstd;Veg(16;1)_rep3 RAW_FILE_NAME=MT_20211013_060.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_023 Factor_Dilutionseries:Qstd;Veg(1;64)_rep1 RAW_FILE_NAME=MT_20211013_023.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_024 Factor_Dilutionseries:Qstd;Veg(1;64)_rep1 RAW_FILE_NAME=MT_20211013_024.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_025 Factor_Dilutionseries:Qstd;Veg(1;64)_rep2 RAW_FILE_NAME=MT_20211013_025.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_026 Factor_Dilutionseries:Qstd;Veg(1;64)_rep2 RAW_FILE_NAME=MT_20211013_026.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_027 Factor_Dilutionseries:Qstd;Veg(1;64)_rep3 RAW_FILE_NAME=MT_20211013_027.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_028 Factor_Dilutionseries:Qstd;Veg(1;64)_rep3 RAW_FILE_NAME=MT_20211013_028.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_067 Factor_Dilutionseries:Qstd;Veg(256;1)_rep1 RAW_FILE_NAME=MT_20211013_067.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_068 Factor_Dilutionseries:Qstd;Veg(256;1)_rep1 RAW_FILE_NAME=MT_20211013_068.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_069 Factor_Dilutionseries:Qstd;Veg(256;1)_rep2 RAW_FILE_NAME=MT_20211013_069.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_070 Factor_Dilutionseries:Qstd;Veg(256;1)_rep2 RAW_FILE_NAME=MT_20211013_070.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_071 Factor_Dilutionseries:Qstd;Veg(256;1)_rep3 RAW_FILE_NAME=MT_20211013_071.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_072 Factor_Dilutionseries:Qstd;Veg(256;1)_rep3 RAW_FILE_NAME=MT_20211013_072.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_049 Factor_Dilutionseries:Qstd;Veg(4;1)_rep1 RAW_FILE_NAME=MT_20211013_049.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_050 Factor_Dilutionseries:Qstd;Veg(4;1)_rep1 RAW_FILE_NAME=MT_20211013_050.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_051 Factor_Dilutionseries:Qstd;Veg(4;1)_rep2 RAW_FILE_NAME=MT_20211013_051.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_052 Factor_Dilutionseries:Qstd;Veg(4;1)_rep2 RAW_FILE_NAME=MT_20211013_052.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_053 Factor_Dilutionseries:Qstd;Veg(4;1)_rep3 RAW_FILE_NAME=MT_20211013_053.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_054 Factor_Dilutionseries:Qstd;Veg(4;1)_rep3 RAW_FILE_NAME=MT_20211013_054.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_061 Factor_Dilutionseries:Qstd;Veg(64;1)_rep1 RAW_FILE_NAME=MT_20211013_061.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_062 Factor_Dilutionseries:Qstd;Veg(64;1)_rep1 RAW_FILE_NAME=MT_20211013_062.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_063 Factor_Dilutionseries:Qstd;Veg(64;1)_rep2 RAW_FILE_NAME=MT_20211013_063.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_064 Factor_Dilutionseries:Qstd;Veg(64;1)_rep2 RAW_FILE_NAME=MT_20211013_064.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_065 Factor_Dilutionseries:Qstd;Veg(64;1)_rep3 RAW_FILE_NAME=MT_20211013_065.raw; Method=HILICPos; Experiment=VegetablejuicePlasamMixture SUBJECT_SAMPLE_FACTORS - MT_20211013_066 Factor_Dilutionseries:Qstd;Veg(64;1)_rep3 RAW_FILE_NAME=MT_20211013_066.raw; Method=RPNeg; Experiment=VegetablejuicePlasamMixture #COLLECTION CO:COLLECTION_SUMMARY Vegetable juice and Commercially Pooled Plasma Sample used. CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY None #SAMPLEPREP SP:SAMPLEPREP_SUMMARY A stepwise dilution (Serial dilution) of vegetable juice and standard pooled SP:SAMPLEPREP_SUMMARY human plasma (Qstd) in the opposite direction was used for sample preparation SP:SAMPLEPREP_SUMMARY process. Samples were prepared using vegetable juice and Qstd in the ratio of SP:SAMPLEPREP_SUMMARY 1024:1, 256:1, 64:1, 16:1, 4:1, 1:1, 1:4, 1:16, 1:64, 1:256 and 1:1024. Along SP:SAMPLEPREP_SUMMARY with the 11 serial dilution samples, 100% vegetable juice and 100% plasma were SP:SAMPLEPREP_SUMMARY also included as samples. All samples were used in triplicates. Metabolites SP:SAMPLEPREP_SUMMARY extraction were carried out by protein precipitation technique using extraction SP:SAMPLEPREP_SUMMARY solvent, acetonitrile:methanol (8:1, v/v) containing 0.1% formic acid and SP:SAMPLEPREP_SUMMARY isotope labelled Trimethyl-13C3]-caffeine, [13C5]-L-glutamic acid, SP:SAMPLEPREP_SUMMARY [15N2]-Uracil, [15N,13C5]-L-methionine, [13C6]-D-glucose and [15N]-L-tyrosine as SP:SAMPLEPREP_SUMMARY spike-in controls. 30 ul of Qstd was taken and 60 ul of extraction solvent was SP:SAMPLEPREP_SUMMARY added. Extraction blanks were also prepared to remove features of non-biological SP:SAMPLEPREP_SUMMARY origins. All samples were vortexed and incubated with shaking at 1000 rpm for 10 SP:SAMPLEPREP_SUMMARY min at 4 ºC followed by centrifugation at 4 ºC for 15 min at 15,000 rpm. The SP:SAMPLEPREP_SUMMARY supernatant was transferred into mass spec vials and 2 ul injected into SP:SAMPLEPREP_SUMMARY UHPLC-MS. #CHROMATOGRAPHY CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Thermo Hypersil GOLD (50 x 2.1mm, 3um) CH:COLUMN_TEMPERATURE 45 CH:FLOW_GRADIENT 0-0.1 min: 0% B, 0.10-1.9 min: 60% B, 1.9-5.0 min: 98% B, and 5 min cleaning and CH:FLOW_GRADIENT column equilibration CH:FLOW_RATE 0.4 ml/min CH:SOLVENT_A 10 mM ammonium acetate in acetonitrile:water (95:5, v/v) with 0.1% acetic acid CH:SOLVENT_B 10 mM ammonium acetate in acetonitrile:water (95:5, v/v) with 0.1% acetic acid CH:CHROMATOGRAPHY_TYPE Reversed phase #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Orbitrap ID-X tribrid MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:MS_COMMENTS data processing using asari v1.9.2 MS:ION_MODE NEGATIVE MS:MS_RESULTS_FILE ST002454_AN004004_Results.txt UNITS:m/z values Has m/z:Yes Has RT:Yes RT units:Seconds #END