MTBLS821: MaHPIC Experiment 30: Quantitative Metabolomics from the pilot experiment for Macaca mulatta infected with Plasmodium knowlesi Malayan strain sporozoites to produce and integrate clinical, hematological, parasitological, omics, telemetric and histopathological measures of acute primary infection.

Abstract

Telemetry devices (DSI, model L11) with blood pressure sensors and electrocardiogram (ECG) leads were surgically implanted in two malaria-naive male rhesus macaques (Macaca mulatta), approximately three years of age. After a resting period of two weeks, physiological data that include activity, temperature, ECG, and blood pressure were continuously collected. Two weeks after activation of the telemetry implant, the macaques were inoculated intravenously with cryopreserved P. knowlesi Malayan strain salivary gland sporozoites, obtained from Anopheles dirus infected with parasites from the Pk1A+ clone. The P. knowlesi sporozoites were produced, isolated and cryopreserved at the Centers for Disease Control and Prevention. After inoculation, the macaques were profiled for clinical, hematological, parasitological, immunological, functional genomic, lipidomic, proteomic, metabolomic, telemetric and histopathological measurements. The experiment was designed for pathology studies, with terminal necropsies on days 11 (RKy15) or 19 (Red16). The anti-malarial drug artemether was subcuratively administered selectively to one subject (REd16) during the primary parasitemia to suppress clinical complications. Capillary blood samples were collected daily for the measurement of complete blood counts, reticulocytes, and parasitemias. Capillary blood samples were collected every other day to obtain plasma for metabolomic analysis. Venous blood and bone marrow samples were collected at five timepoints for functional genomic, proteomic, lipidomic, and immunological analyses. Physiological data were continuously captured via telemetry.
Within the MaHPIC, this project is known as 'Experiment 30'. This dataset was produced by Dr. Regina Cordy and Manoj Khadka at Emory University. To access other publicly available results from 'E30' and other MaHPIC Experiments, including clinical results (specifics on drugs administered, diet, and veterinary interventions), and other omics, visit http://plasmodb.org/plasmo/mahpic.jsp. This page will be updated as datasets are released to the public. The experimental design and protocols for this study were approved by the Emory University Institutional Animal Care and Use Committee (IACUC) and the MRMC Office of Research Protection Animal Care and Use Review Office (ACURO).

Linked Studies: Malaria Host-Pathogen Interaction Center (MaHPIC)

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 Authors: The MaHPIC Consortium, Mary Galinski, Jessica Kissinger, Regina Joice Cordy, Jeremy DeBarry, Juan Gutierrez, Ebru Karpuzoglu, Manoj Khadka, Monica Cabrera-Mora, Mustafa Nural, Eric Ortland, Rabindra Tirouvanziam

  Release date: 11-Jan-2019

 Status: Public

Organism(s)

blank

BAO:reference compound

NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi

Homo sapiens

  Study Design

NCIT:Malaria

Biocrates Absolute IDQp180 kit

CHMO:ultra-performance liquid chromatography-mass spectrometry

MS:flow injection analysis

targeted metabolites

  Experimental Factors

Timepoint

Well Position

Plate No

Protocol Description
Sample collection

Plasma samples from whole blood and bone marrow aspirate as well as urine and cerebrospinal fluid samples were collected and aliquoted at the Yerkes Malaria Team and shipped to the Metabolomics Core at Emory campus after the end of the experimental phase. The sample collection occured during the experimental daily follow up, at assigned time points, and immediately prior to necropsy.

Collection of Plasma Samples from Capillary and Venous Whole Blood
1a. The capillary whole blood sample is collected via preparing the ear area by cleaning with sterile alcohol pads, grasping the ear lobule then making a puncture by using the proper lancet, and collecting the blood drops using the capillary extension of the EDTA tube while avoiding excessive pressure and mixing gently during the collection process to avoid clot formation.
1b. The venous whole blood sample is collected intravenously after the NHP is anesthetized using ketamine by a technician.
2. After capillary or venous EDTA samples had been processed for CBC and smears, transfer remaining volume to a mircrotainer tube.
3. Centrifuge sample at 2800 rpm, 10 mins, room temperature
4. Aliquot the plasma into an eppendorf tube with LIMS barcoded label.
5. Transfer aliquot to a -80 °C freezer.
6. Store sample until the end of the experimental for transferring on dry ice to the metabolomics core.

Collection of Plasma Samples from Bone Marrow Aspirate
1. Collect sample(s) from Iliac crest on an EDTA tube after the NHP is anesthetized using ketamine by a technician.
2. Gently mix sample(s). Keep sample(s) at room temperature.
3. Centrifuge at room temperature for 10 minutes at 3000 rpm.
4. Transfer plasma to a new eppendorf tube, the centrifuge the aliquot for 10 minutes at 5000 rpm. Note: Plasma separation after collection should not exceed 2 hours.
5. Transfer the desire amount of plasma to a pre-cooled collection vial.
6. Transfer aliquots to -80 °C freezer.
7. Store sample until the end of the experimental for transferring on dry ice to the metabolomics core.

Collection of Urine Samples
1. The urine sample is collected by the pathology technician immediately prior to necropsy procedure when animal is sedated under ketamine via suprapubic bladder aspiration with syringe.
2. The Urine sample is transferred to the collection tube and delivered to the malaria core for banking in -20 °C freezer.
3. Sample is stored until the end of the experimental for transferring on dry ice to the metabolomics core.

Collection of Cerebrospinal Fluid (CSF) Samples
1. The CSF sample is collected via lumbar puncture with syringe by the pathology technician during the pre-mortem necropsy procedure when animal is sedated under ketamine.
2. The CSF sample is transferred to the collection tube and delivered (room temperature conditions) to Yerkes malaria team for for banking in -20 °C freezer.
3. Sample is stored until the end of the experimental for transferring on dry ice to the metabolomics core.
Extraction For targeted analysis the abundance of 188 selected metabolites was measured using the Biocrates Absolute IDQp180 kit.

Briefly, 10 ul of sample were loaded onto a 96-well kit plate following randomization, and a derivitization reagent and organic solvent added. Supernatants were transferred to a new 96-well plate, mixed with methanol, incubated, and then analyzed using an autosampler maintained at 4 °C.

Kit components were prepared according to Biocrates Absolute IDQp180 kit manufacturer's instructions.
Samples were vortexed after thawing and centrifuged at 4 °C for 5 mins at 2750 X g (as the QCs) before loading on the kit plate.

Sample extraction was performed according to manufacturer instructions.
1. Remove the plastic lid of the AbsoluteIDQ kit plate. Add 10 ul of the ISTD to all wells of the plate with exception of the blank well position A1.
2. Use a single channel pipette to accurately pipette 10 ul of the sample (PBS for zero samples, Biocrates calibration standards, QCs, and your samples) onto the center of the spot. Gently touch the filter inserts with the pipette tip while pipetting the samples.
3. Dry samples for 30 min at room temperature under nitrogen using a nitrogen evaporator. (Note: Make sure the evaporator needles are at least 5 mm above the filter inserts. Adjust the pressure at the nitrogen pressure to about 3-4 bars and check that there is a nitrogen flow at the end of the evaporator needles.)
4. Prepare the pre-mix and derivatization solution.
5. Use the derivatization solution immediately and pipette 50 ul to each well.
6. Cover the plate with the plastic lid. Let the reaction take place for 20 mins at room temperature. (Note: Ineffective removal of excess of PITC and pyridine may result in poor mass spectrometry results.)
7. Remove the plastic lid. Dry the plate in the nitrogen evaporator for 60 mins.
8. Add 300 ul of extraction solvent to each well.
9. Cover the plate with the plastic lid again. Shake the plate at maximum of 450 rpm at room temperature for 30 mins.
10. Centrifuge the kit plate for 2 mins at 500 X g (make sure the centrifuge is balanced). Visually check that the fill level is the same in all wells of the capture plate. If not, repeat and apply higher g or higher pressure, respectively.
11. Carefully remove the tape from the sides of the kit plate. Separate the lower capture plate (containing the samples extracts, labeled 'Use for FIA') from the upper filter plate. Make sure nothing spills or splashes over during this process.
12. Remove 50 ul from each well of the capture plate (labeled 'Use of FIA') and transfer it to the empty 96 deep well plate labeled 'Use for LC'. Remove 10 ul from each well of the capture plate (labeled 'Use for FIA') and transfer it to the empty deep well plate labeled 'Use for FIA dilution- if required'.
13. Use the plate labeled 'Use for LC' to dilute extracts for LC. Add 450 ul of 40% methanol (in HPLC grade water) to each well and seal the plate with a silicone mat. Make sure that the silicone mat is seated correctly on the plate. Firmly press the mat’s naps into the wells. Shake for 2 mins at 600 rpm. Shake for 2 mins at 600 rpm.
14. Use capture plate labeled 'Use for FIA dilution-If required'. Add 490 ul of FIA mobile phase to each well and seal the plate with a silicone mat. Make sure that the silicone mat is seated correctly on the plate. Firmly press the mat’s naps into the wells. Shake for 2 mins at 600 rpm.
15. Both plates, labeled 'Use for LC' and 'Use for FIA dilution-If required', are ready for LC-MS/MS and FIA-MS/MS analytics, respectively. Place the sealed plates into the autosampler at 10 °C or store 4 °C.

Chromatography Samples were analyzed using a SCIEX Exion LC and QTRAP 5500 mass spectrometer.

Each sample was analyzed in two ways:
1) Metabolites were measured via LC-MS (positive ionization mode, sample injected using a separation column)
2) Lipids were measured FIA (positive and negative ionization mode, sample injected without a separation column) generating two sets of results for each sample.
LC-MS results were produced using only positive mode and produced one raw wiff file per samples. FIA results were produced using both positive and negative modes and produced two raw wiff files per sample.

LC-MS method and parameters
Mobile phase: water with 0.2% formic acid (Solvent A), acetonitrile with 0.2% formic acid (Solvent B)
Gradient Flow System:
Step - Total time (Minues) - Flow rate (mL/min) - A% - B%
0 0 0.5 100 0
1 0.5 0.5 100 0
2 5.5 0.5 5 95
3 6.5 0.5 5 95
4 7.0 0.5 100 0
5 9.5 0.5 200 0

Flow injection analysis (FIA) method and parameters
Mobile phase: Biocrates Solvent I diluted with 290 ml of methanol
Settings: Equilibration and start with 0.030 ml/min
Gradient flow system:
Step - Total time (minutes) - Flow rate (ml/min) - A(%) - B(%)
0 0.0 0.030 0 100
1 1.6 0.030 0 100
2 2.4 0.200 0 100
3 2.8 0.200 0 100
4 3.0 0.030 0 100

Mass spectrometry ABSCIEX QTRAP5500 Mass Spectomter
Mass spectrometry settings
Instrument - Parameter - Method (LC or FIA)
Autosampler - Injection volume - 10 ul (LC) - 20 ul (FIA)
Column oven - Temp - 50 (LC) - Off (FIA)
Mass Spectrometer - CAD - Medium/6 (LC) - Medium/6 (FIA)
Mass Spectrometer - CUR - 20 (LC) - 20 (FIA)
Mass Spectrometer - Gas 1 - 40 (LC) - 40 (FIA)
Mass Spectrometer - Gas 2 - 50 (LC) - 50 (FIA)
Mass Spectrometer - ISTD - 5500 (LC) - Pos 5500/Neg -4000 (FIA)
Mass Spectrometer - TEM - 500 (LC) - 200 (FIA)
Mass Spectrometer - x-axis - 5 (LC) - 5 (FIA)
Mass Spectrometer - y-axis - 5 (LC) - 5 (FIA)

Data transformation Before the samples are extracted and run in the LC-MS, the kit plate was registered and Biocrates 10-digit barcode generated for each sample and kit plate using the Biocrates METIDQ software. During kit registration and barcode generation, sample metadata was also entered into METIDQ including the MaHPIC barcode, MaHPIC experiment #, TP, sample volume, etc. The samples were then randomized and batch file was generated. The acquisition method files (KIT2_LC_5504.dam, KIT3_FIA_neg.dam, KIT3_FIA_pos.dam) and the result method file were made available by Biocrates during first installation of the kit. Those files were used for subsequent data acquisition and analysis. The raw data (.wiff) files are used for calculation of analyte concentration and manual check of peak integration in Analyst 1.6.3. The result is obtained was further validated for calibration standards and quality control samples in METIDQ and the final result was exported as .csv file.

Metabolite identification Data were extracted using the Biocrates MetIDQ software based on co-elution with reference standards, and a set of calibration standards for quantification.

Source Name Organism Organism part Protocol REF Sample Name Timepoint
2927549 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2927549 TimePoint 1
2927606 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi bone marrow Sample collection 2927606 TimePoint 1
2927626 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2927626 TimePoint 1
2927683 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi bone marrow Sample collection 2927683 TimePoint 1
2943946 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2943946 TimePoint 2
2944017 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi bone marrow Sample collection 2944017 TimePoint 2
2944039 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2944039 TimePoint 2
2944110 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi bone marrow Sample collection 2944110 TimePoint 2
2951285 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2951285 Daily
2951293 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2951293 Daily
2951301 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2951301 Daily
2951309 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2951309 Daily
2951317 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2951317 Daily
2951325 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2951325 Daily
2951333 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2951333 Daily
2951341 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2951341 Daily
2953085 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2953085 TimePoint 3
2953156 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi bone marrow Sample collection 2953156 TimePoint 3
2953178 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2953178 TimePoint 3
2953249 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi bone marrow Sample collection 2953249 TimePoint 3
2953314 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2953314 Daily
2953322 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2953322 Daily
2953330 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2953330 Daily
2953338 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2953338 Daily
2953346 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2953346 Daily
2953354 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2953354 Daily
2953362 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2953362 Daily
2953370 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2953370 Daily
2953378 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2953378 Daily
2953386 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2953386 Daily
2953394 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2953394 Daily
2953402 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2953402 Daily
2966569 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2966569 TimePoint 4
2966640 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi bone marrow Sample collection 2966640 TimePoint 4
2966662 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2966662 TimePoint 4
2966733 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi bone marrow Sample collection 2966733 TimePoint 4
2966981 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2966981 TimePoint 5
2967052 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi bone marrow Sample collection 2967052 TimePoint 5
2967074 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2967074 TimePoint 5
2967145 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi bone marrow Sample collection 2967145 TimePoint 5
2968706 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2968706 Daily
2971382 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2971382 Daily
2974241 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2974241 Daily
2974504 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2974504 Daily
2998759 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2998759 Necropsy
2998829 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi cerebrospinal fluid Sample collection 2998829 Necropsy
2999044 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi urine Sample collection 2999044 Necropsy
2999108 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi blood plasma Sample collection 2999108 Necropsy
2999178 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi cerebrospinal fluid Sample collection 2999178 Necropsy
2999393 NCBITAXON:Macaca mulatta;NCBITAXON:Plasmodium knowlesi urine Sample collection 2999393 Necropsy
Blank blank solvent Sample collection Blank N/A
p180 Cal1 BAO:reference compound mixture Sample collection p180 Cal1 N/A
p180 Cal2 BAO:reference compound mixture Sample collection p180 Cal2 N/A
p180 Cal3 BAO:reference compound mixture Sample collection p180 Cal3 N/A
p180 Cal4 BAO:reference compound mixture Sample collection p180 Cal4 N/A
p180 Cal5 BAO:reference compound mixture Sample collection p180 Cal5 N/A
p180 Cal6 BAO:reference compound mixture Sample collection p180 Cal6 N/A
p180 Cal7 BAO:reference compound mixture Sample collection p180 Cal7 N/A
p180_QC1 Homo sapiens blood plasma Sample collection p180_QC1 N/A
p180_QC2 Homo sapiens blood plasma Sample collection p180_QC2 N/A
p180_QC3 Homo sapiens blood plasma Sample collection p180_QC3 N/A
PBS BAO:reference compound phosphate buffered saline Sample collection PBS N/A

Assay  1

Assay file name: a_e30_qm_lcms.txt
Technology: mass spectrometry
Platform: Liquid Chromatography MS - Positive (LC-MS (Positive))

Instrumentation

Sample Name Plate No Well Position Protocol REF Post Extraction Derivatization Extract Name Protocol REF Chromatography Instrument Column model Column type Labeled Extract Name Label Protocol REF Scan polarity Scan m/z range Instrument Ion source Mass analyzer MS Assay Name Raw Spectral Data File Protocol REF Normalization Name Derived Spectral Data File Protocol REF Data Transformation Name Metabolite Assignment File
Blank 1 1 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser Blank_p1 KIT2-0-5504_1020804070_01_0_1_1_01_10000001.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
Blank 1 1 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5501 electrospray ionization linear quadrupole ion trap mass-to-charge analyser Blank_p1 KIT2-0-5504_1020804070_01_0_1_2_01_10000001.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
Blank 1 1 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5502 electrospray ionization linear quadrupole ion trap mass-to-charge analyser Blank_p1 KIT2-0-5504_1020804070_01_0_1_3_01_10000001.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180 Cal5 1 2 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5503 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180 Cal5_p1 KIT2-0-5504_1020804070_02_0_1_1_16_20000615.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2953402 1 4 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5504 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953402 KIT2-0-5504_1020804070_04_0_1_1_00_1020803508.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2951301 1 5 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5505 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2951301 KIT2-0-5504_1020804070_05_0_1_1_00_1020803319.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2953338 1 6 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5506 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953338 KIT2-0-5504_1020804070_06_0_1_1_00_1020803425.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2951341 1 8 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5507 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2951341 KIT2-0-5504_1020804070_08_0_1_1_00_1020803361.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2951333 1 9 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5508 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2951333 KIT2-0-5504_1020804070_09_0_1_1_00_1020803357.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2953314 1 10 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5509 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953314 KIT2-0-5504_1020804070_10_0_1_1_00_1020803395.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2998759 1 12 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5510 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2998759 KIT2-0-5504_1020804070_12_0_1_1_00_1020803600.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
PBS 1 13 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5511 electrospray ionization linear quadrupole ion trap mass-to-charge analyser PBS_p1_13 KIT2-0-5504_1020804070_13_0_1_1_10_11000002.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180 Cal6 1 14 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5512 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180 Cal6_p1 KIT2-0-5504_1020804070_14_0_1_1_17_20000616.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180_QC2 1 16 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5513 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p1 KIT2-0-5504_1020804070_16_0_1_1_00_1020803614.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2966981 1 18 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5514 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2966981 KIT2-0-5504_1020804070_18_0_1_1_00_1020803531.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2953346 1 21 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5515 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953346 KIT2-0-5504_1020804070_21_0_1_1_00_1020803430.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2943946 1 22 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5516 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2943946 KIT2-0-5504_1020804070_22_0_1_1_00_1020803274.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2951317 1 24 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5517 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2951317 KIT2-0-5504_1020804070_24_0_1_1_00_1020803338.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
PBS 1 25 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5518 electrospray ionization linear quadrupole ion trap mass-to-charge analyser PBS_p1_25 KIT2-0-5504_1020804070_25_0_1_1_10_11000002.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180 Cal7 1 26 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5519 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180 Cal7_p1 KIT2-0-5504_1020804070_26_0_1_1_18_20000617.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2951293 1 30 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5520 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2951293 KIT2-0-5504_1020804070_30_0_1_1_00_1020803304.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2953386 1 33 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5521 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953386 KIT2-0-5504_1020804070_33_0_1_1_00_1020803482.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2953322 1 34 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5522 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953322 KIT2-0-5504_1020804070_34_0_1_1_00_1020803406.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
PBS 1 37 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5523 electrospray ionization linear quadrupole ion trap mass-to-charge analyser PBS_p1_37 KIT2-0-5504_1020804070_37_0_1_1_10_11000002.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180_QC1 1 38 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5524 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC1_p1 KIT2-0-5504_1020804070_38_0_1_1_03_721029.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2953394 1 43 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5525 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953394 KIT2-0-5504_1020804070_43_0_1_1_00_1020803497.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180_QC2 1 44 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5526 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p1 KIT2-0-5504_1020804070_44_0_1_1_00_1020803633.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2966662 1 45 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5527 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2966662 KIT2-0-5504_1020804070_45_0_1_1_00_1020803527.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2951309 1 46 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5528 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2951309 KIT2-0-5504_1020804070_46_0_1_1_00_1020803323.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2998829 1 47 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5529 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2998829 KIT2-0-5504_1020804070_47_0_1_1_00_1020803667.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2999178 1 48 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5530 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2999178 KIT2-0-5504_1020804070_48_0_1_1_00_1020803671.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180 Cal1 1 49 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5531 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180 Cal1_p1 KIT2-0-5504_1020804070_49_0_1_1_02_20000611.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180_QC2 1 50 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5532 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p1 KIT2-0-5504_1020804070_50_0_1_1_04_721046.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2953178 1 51 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5533 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953178 KIT2-0-5504_1020804070_51_0_1_1_00_1020803381.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2953085 1 52 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5534 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953085 KIT2-0-5504_1020804070_52_0_1_1_00_1020803376.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2953330 1 57 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5535 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953330 KIT2-0-5504_1020804070_57_0_1_1_00_1020803411.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2999044 1 59 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5536 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2999044 KIT2-0-5504_1020804070_59_0_1_1_00_1020803686.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2999393 1 60 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5537 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2999393 KIT2-0-5504_1020804070_60_0_1_1_00_1020803652.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180 Cal2 1 61 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5538 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180 Cal2_p1 KIT2-0-5504_1020804070_61_0_1_1_13_20000612.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180_QC3 1 62 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5539 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC3_p1 KIT2-0-5504_1020804070_62_0_1_1_05_721050.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2953354 1 65 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5540 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953354 KIT2-0-5504_1020804070_65_0_1_1_00_1020803444.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2953378 1 66 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5541 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953378 KIT2-0-5504_1020804070_66_0_1_1_00_1020803478.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2974241 1 68 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5542 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2974241 KIT2-0-5504_1020804070_68_0_1_1_00_1020803584.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2974504 1 69 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5543 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2974504 KIT2-0-5504_1020804070_69_0_1_1_00_1020803599.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180 Cal3 1 73 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5544 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180 Cal3_p1 KIT2-0-5504_1020804070_73_0_1_1_14_20000613.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2968706 1 74 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5545 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2968706 KIT2-0-5504_1020804070_74_0_1_1_00_1020803565.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2953370 1 76 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5546 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953370 KIT2-0-5504_1020804070_76_0_1_1_00_1020803463.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2951285 1 78 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5547 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2951285 KIT2-0-5504_1020804070_78_0_1_1_00_1020803293.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2951325 1 79 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5548 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2951325 KIT2-0-5504_1020804070_79_0_1_1_00_1020803342.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2999108 1 80 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5549 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2999108 KIT2-0-5504_1020804070_80_0_1_1_00_1020803551.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2967074 1 81 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5550 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2967074 KIT2-0-5504_1020804070_81_0_1_1_00_1020803546.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2927626 1 82 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5551 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2927626 KIT2-0-5504_1020804070_82_0_1_1_00_1020803260.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180_QC2 1 83 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5552 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p1 KIT2-0-5504_1020804070_83_0_1_1_00_1020803648.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180 Cal4 1 85 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5553 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180 Cal4_p1 KIT2-0-5504_1020804070_85_0_1_1_15_20000614.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2944039 1 86 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5554 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2944039 KIT2-0-5504_1020804070_86_0_1_1_00_1020803289.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2927549 1 91 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5555 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2927549 KIT2-0-5504_1020804070_91_0_1_1_00_1020803255.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2953362 1 92 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5556 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953362 KIT2-0-5504_1020804070_92_0_1_1_00_1020803459.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2966569 1 94 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5557 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2966569 KIT2-0-5504_1020804070_94_0_1_1_00_1020803512.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2971382 1 96 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5558 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2971382 KIT2-0-5504_1020804070_96_0_1_1_00_1020803570.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
Blank 2 1 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5559 electrospray ionization linear quadrupole ion trap mass-to-charge analyser Blank_p2 KIT2-0-5504_1020805956_01_0_1_1_01_10000001.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
Blank 2 1 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5560 electrospray ionization linear quadrupole ion trap mass-to-charge analyser Blank_p2 KIT2-0-5504_1020805956_01_0_1_2_01_10000001.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
Blank 2 1 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5561 electrospray ionization linear quadrupole ion trap mass-to-charge analyser Blank_p2 KIT2-0-5504_1020805956_01_0_1_3_01_10000001.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180 Cal5 2 2 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5562 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180 Cal5_p2 KIT2-0-5504_1020805956_02_0_1_1_16_20000615.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
PBS 2 13 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5563 electrospray ionization linear quadrupole ion trap mass-to-charge analyser PBS_p2_13 KIT2-0-5504_1020805956_13_0_1_1_10_11000002.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180 Cal6 2 14 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5564 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180 Cal6_p2 KIT2-0-5504_1020805956_14_0_1_1_17_20000616.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2927606 2 23 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5565 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2927606 KIT2-0-5504_1020805956_23_0_1_1_00_1020805767.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
PBS 2 25 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5566 electrospray ionization linear quadrupole ion trap mass-to-charge analyser PBS_p2_25 KIT2-0-5504_1020805956_25_0_1_1_10_11000002.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180 Cal7 2 26 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5567 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180 Cal7_p2 KIT2-0-5504_1020805956_26_0_1_1_18_20000617.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2967145 2 31 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5568 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2967145 KIT2-0-5504_1020805956_31_0_1_1_00_1020805733.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2927683 2 32 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5569 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2927683 KIT2-0-5504_1020805956_32_0_1_1_00_1020805752.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
PBS 2 37 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5570 electrospray ionization linear quadrupole ion trap mass-to-charge analyser PBS_p2_37 KIT2-0-5504_1020805956_37_0_1_1_10_11000002.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180_QC1 2 38 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5571 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC1_p2 KIT2-0-5504_1020805956_38_0_1_1_03_721029.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180_QC2 2 48 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5572 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p2 KIT2-0-5504_1020805956_48_0_1_1_00_1020805869.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180 Cal1 2 49 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5573 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180 Cal1_p2 KIT2-0-5504_1020805956_49_0_1_1_02_20000611.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180_QC2 2 50 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5574 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p2 KIT2-0-5504_1020805956_50_0_1_1_04_721046.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180_QC2 2 52 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5575 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p2 KIT2-0-5504_1020805956_52_0_1_1_00_1020805854.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2953156 2 57 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5576 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953156 KIT2-0-5504_1020805956_57_0_1_1_00_1020805729.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180 Cal2 2 61 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5577 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180 Cal2_p2 KIT2-0-5504_1020805956_61_0_1_1_13_20000612.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180_QC3 2 62 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5578 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC3_p2 KIT2-0-5504_1020805956_62_0_1_1_05_721050.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2967052 2 64 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5579 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2967052 KIT2-0-5504_1020805956_64_0_1_1_00_1020805748.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180_QC2 2 68 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5580 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p2 KIT2-0-5504_1020805956_68_0_1_1_00_1020805873.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180 Cal3 2 73 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5581 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180 Cal3_p2 KIT2-0-5504_1020805956_73_0_1_1_14_20000613.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180 Cal4 2 85 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5582 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180 Cal4_p2 KIT2-0-5504_1020805956_85_0_1_1_15_20000614.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2953249 2 87 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5583 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953249 KIT2-0-5504_1020805956_87_0_1_1_00_1020805714.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
Blank 3 1 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5584 electrospray ionization linear quadrupole ion trap mass-to-charge analyser Blank_p3 KIT2-0-5504_1020806790_01_0_1_1_01_10000001.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
Blank 3 1 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5585 electrospray ionization linear quadrupole ion trap mass-to-charge analyser Blank_p3 KIT2-0-5504_1020806790_01_0_1_2_01_10000001.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
Blank 3 1 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5586 electrospray ionization linear quadrupole ion trap mass-to-charge analyser Blank_p3 KIT2-0-5504_1020806790_01_0_1_3_01_10000001.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180 Cal5 3 2 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5587 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180 Cal5_p3 KIT2-0-5504_1020806790_02_0_1_1_16_20000615.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2966640 3 7 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5588 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2966640 KIT2-0-5504_1020806790_07_0_1_1_00_1020806747.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2944110 3 12 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5589 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2944110 KIT2-0-5504_1020806790_12_0_1_1_00_1020806732.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
PBS 3 13 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5590 electrospray ionization linear quadrupole ion trap mass-to-charge analyser PBS_p3_13 KIT2-0-5504_1020806790_13_0_1_1_10_11000002.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180 Cal6 3 14 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5591 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180 Cal6_p3 KIT2-0-5504_1020806790_14_0_1_1_17_20000616.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
PBS 3 25 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5592 electrospray ionization linear quadrupole ion trap mass-to-charge analyser PBS_p3_25 KIT2-0-5504_1020806790_25_0_1_1_10_11000002.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180 Cal7 3 26 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5593 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180 Cal7_p3 KIT2-0-5504_1020806790_26_0_1_1_18_20000617.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2944017 3 27 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5594 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2944017 KIT2-0-5504_1020806790_27_0_1_1_00_1020806728.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
2966733 3 30 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5595 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2966733 KIT2-0-5504_1020806790_30_0_1_1_00_1020806751.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
PBS 3 37 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5596 electrospray ionization linear quadrupole ion trap mass-to-charge analyser PBS_p3_37 KIT2-0-5504_1020806790_37_0_1_1_10_11000002.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180_QC1 3 38 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5597 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC1_p3 KIT2-0-5504_1020806790_38_0_1_1_03_721029.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180_QC2 3 41 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5598 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p3 KIT2-0-5504_1020806790_41_0_1_1_00_1020805975.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180_QC2 3 47 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5599 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p3 KIT2-0-5504_1020806790_47_0_1_1_00_1020805994.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180 Cal1 3 49 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5600 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180 Cal1_p3 KIT2-0-5504_1020806790_49_0_1_1_02_20000611.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180_QC2 3 50 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5601 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p3 KIT2-0-5504_1020806790_50_0_1_1_04_721046.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180_QC2 3 56 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5602 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p3 KIT2-0-5504_1020806790_56_0_1_1_00_1020805980.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180 Cal2 3 61 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5603 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180 Cal2_p3 KIT2-0-5504_1020806790_61_0_1_1_13_20000612.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180_QC3 3 62 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5604 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC3_p3 KIT2-0-5504_1020806790_62_0_1_1_05_721050.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180 Cal3 3 73 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5605 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180 Cal3_p3 KIT2-0-5504_1020806790_73_0_1_1_14_20000613.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv
p180 Cal4 3 85 Extraction Chromatography SCIEX ExionLC AC ZORBAX Eclipse XDB C18 (3.5 µm, 3 mm x 100 mm; Agilent Technologies) reverse phase Mass spectrometry positive AB SCIEX QTRAP 5606 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180 Cal4_p3 KIT2-0-5504_1020806790_85_0_1_1_15_20000614.wiff Data transformation Metabolite identification m_e30_qm_lcms_maf.tsv

Assay  2

Assay file name: a_e30_qm_fia_pos.txt
Technology: mass spectrometry
Platform: Flow Injection Analysis MS - Alternating (FIA-MS (Alternating))

Instrumentation

Sample Name Plate No Well Position Protocol REF Post Extraction Derivatization Extract Name Protocol REF Chromatography Instrument Column model Column type Labeled Extract Name Label Protocol REF Scan polarity Scan m/z range Instrument Ion source Mass analyzer MS Assay Name Raw Spectral Data File Protocol REF Normalization Name Derived Spectral Data File Protocol REF Data Transformation Name Metabolite Assignment File
Blank 1 1 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser Blank_p1 KIT3-0-5504_1020804084_01_0_1_1_01_10000001.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
Blank 1 1 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser Blank_p1 KIT3-0-5504_1020804084_01_0_1_2_01_10000001.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
Blank 1 1 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser Blank_p1 KIT3-0-5504_1020804084_01_0_1_3_01_10000001.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953402 1 4 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953402 KIT3-0-5504_1020804084_04_0_1_1_00_1020803508.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2951301 1 5 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2951301 KIT3-0-5504_1020804084_05_0_1_1_00_1020803319.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953338 1 6 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953338 KIT3-0-5504_1020804084_06_0_1_1_00_1020803425.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2951341 1 8 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2951341 KIT3-0-5504_1020804084_08_0_1_1_00_1020803361.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2951333 1 9 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2951333 KIT3-0-5504_1020804084_09_0_1_1_00_1020803357.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953314 1 10 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953314 KIT3-0-5504_1020804084_10_0_1_1_00_1020803395.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2998759 1 12 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2998759 KIT3-0-5504_1020804084_12_0_1_1_00_1020803600.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
PBS 1 13 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser PBS_p1_13 KIT3-0-5504_1020804084_13_0_1_1_10_11000002.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC2 1 16 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p1 KIT3-0-5504_1020804084_16_0_1_1_00_1020803614.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2966981 1 18 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2966981 KIT3-0-5504_1020804084_18_0_1_1_00_1020803531.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953346 1 21 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953346 KIT3-0-5504_1020804084_21_0_1_1_00_1020803430.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2943946 1 22 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2943946 KIT3-0-5504_1020804084_22_0_1_1_00_1020803274.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2951317 1 24 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2951317 KIT3-0-5504_1020804084_24_0_1_1_00_1020803338.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
PBS 1 25 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser PBS_p1_25 KIT3-0-5504_1020804084_25_0_1_1_10_11000002.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2951293 1 30 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2951293 KIT3-0-5504_1020804084_30_0_1_1_00_1020803304.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953386 1 33 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953386 KIT3-0-5504_1020804084_33_0_1_1_00_1020803482.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953322 1 34 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953322 KIT3-0-5504_1020804084_34_0_1_1_00_1020803406.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
PBS 1 37 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser PBS_p1_37 KIT3-0-5504_1020804084_37_0_1_1_10_11000002.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC1 1 38 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC1_p1 KIT3-0-5504_1020804084_38_0_1_1_03_721029.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953394 1 43 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953394 KIT3-0-5504_1020804084_43_0_1_1_00_1020803497.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC2 1 44 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p1 KIT3-0-5504_1020804084_44_0_1_1_00_1020803633.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2966662 1 45 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2966662 KIT3-0-5504_1020804084_45_0_1_1_00_1020803527.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2951309 1 46 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2951309 KIT3-0-5504_1020804084_46_0_1_1_00_1020803323.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2998829 1 47 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2998829 KIT3-0-5504_1020804084_47_0_1_1_00_1020803667.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2999178 1 48 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2999178 KIT3-0-5504_1020804084_48_0_1_1_00_1020803671.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC2 1 50 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p1 KIT3-0-5504_1020804084_50_0_1_1_04_721046.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953178 1 51 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953178 KIT3-0-5504_1020804084_51_0_1_1_00_1020803381.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953085 1 52 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953085 KIT3-0-5504_1020804084_52_0_1_1_00_1020803376.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953330 1 57 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953330 KIT3-0-5504_1020804084_57_0_1_1_00_1020803411.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2999044 1 59 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2999044 KIT3-0-5504_1020804084_59_0_1_1_00_1020803686.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2999393 1 60 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2999393 KIT3-0-5504_1020804084_60_0_1_1_00_1020803652.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC3 1 62 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC3_p1 KIT3-0-5504_1020804084_62_0_1_1_05_721050.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953354 1 65 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953354 KIT3-0-5504_1020804084_65_0_1_1_00_1020803444.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953378 1 66 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953378 KIT3-0-5504_1020804084_66_0_1_1_00_1020803478.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2974241 1 68 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2974241 KIT3-0-5504_1020804084_68_0_1_1_00_1020803584.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2974504 1 69 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2974504 KIT3-0-5504_1020804084_69_0_1_1_00_1020803599.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2968706 1 74 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2968706 KIT3-0-5504_1020804084_74_0_1_1_00_1020803565.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953370 1 76 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953370 KIT3-0-5504_1020804084_76_0_1_1_00_1020803463.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2951285 1 78 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2951285 KIT3-0-5504_1020804084_78_0_1_1_00_1020803293.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2951325 1 79 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2951325 KIT3-0-5504_1020804084_79_0_1_1_00_1020803342.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2999108 1 80 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2999108 KIT3-0-5504_1020804084_80_0_1_1_00_1020803551.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2967074 1 81 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2967074 KIT3-0-5504_1020804084_81_0_1_1_00_1020803546.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2927626 1 82 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2927626 KIT3-0-5504_1020804084_82_0_1_1_00_1020803260.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC2 1 83 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p1 KIT3-0-5504_1020804084_83_0_1_1_00_1020803648.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2944039 1 86 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2944039 KIT3-0-5504_1020804084_86_0_1_1_00_1020803289.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2927549 1 91 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2927549 KIT3-0-5504_1020804084_91_0_1_1_00_1020803255.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953362 1 92 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953362 KIT3-0-5504_1020804084_92_0_1_1_00_1020803459.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2966569 1 94 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2966569 KIT3-0-5504_1020804084_94_0_1_1_00_1020803512.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2971382 1 96 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2971382 KIT3-0-5504_1020804084_96_0_1_1_00_1020803570.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
Blank 2 1 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser Blank_p2 KIT3-0-5504_1020805961_01_0_1_1_01_10000001.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
Blank 2 1 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser Blank_p2 KIT3-0-5504_1020805961_01_0_1_2_01_10000001.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
Blank 2 1 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser Blank_p2 KIT3-0-5504_1020805961_01_0_1_3_01_10000001.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
PBS 2 13 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser PBS_p2_13 KIT3-0-5504_1020805961_13_0_1_1_10_11000002.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2927606 2 23 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2927606 KIT3-0-5504_1020805961_23_0_1_1_00_1020805767.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
PBS 2 25 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser PBS_p2_25 KIT3-0-5504_1020805961_25_0_1_1_10_11000002.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2967145 2 31 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2967145 KIT3-0-5504_1020805961_31_0_1_1_00_1020805733.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2927683 2 32 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2927683 KIT3-0-5504_1020805961_32_0_1_1_00_1020805752.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
PBS 2 37 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser PBS_p2_37 KIT3-0-5504_1020805961_37_0_1_1_10_11000002.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC1 2 38 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC1_p2 KIT3-0-5504_1020805961_38_0_1_1_03_721029.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC2 2 48 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p2 KIT3-0-5504_1020805961_48_0_1_1_00_1020805869.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC2 2 50 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p2 KIT3-0-5504_1020805961_50_0_1_1_04_721046.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC2 2 52 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p2 KIT3-0-5504_1020805961_52_0_1_1_00_1020805854.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953156 2 57 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953156 KIT3-0-5504_1020805961_57_0_1_1_00_1020805729.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC3 2 62 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC3_p2 KIT3-0-5504_1020805961_62_0_1_1_05_721050.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2967052 2 64 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2967052 KIT3-0-5504_1020805961_64_0_1_1_00_1020805748.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC2 2 68 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p2 KIT3-0-5504_1020805961_68_0_1_1_00_1020805873.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953249 2 87 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953249 KIT3-0-5504_1020805961_87_0_1_1_00_1020805714.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
Blank 3 1 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser Blank_p3 KIT3-0-5504_1020806801_01_0_1_1_01_10000001.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
Blank 3 1 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser Blank_p3 KIT3-0-5504_1020806801_01_0_1_2_01_10000001.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
Blank 3 1 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser Blank_p3 KIT3-0-5504_1020806801_01_0_1_3_01_10000001.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2966640 3 7 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2966640 KIT3-0-5504_1020806801_07_0_1_1_00_1020806747.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2944110 3 12 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2944110 KIT3-0-5504_1020806801_12_0_1_1_00_1020806732.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
PBS 3 13 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser PBS_p3_13 KIT3-0-5504_1020806801_13_0_1_1_10_11000002.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
PBS 3 25 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser PBS_p3_25 KIT3-0-5504_1020806801_25_0_1_1_10_11000002.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2944017 3 27 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2944017 KIT3-0-5504_1020806801_27_0_1_1_00_1020806728.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2966733 3 30 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2966733 KIT3-0-5504_1020806801_30_0_1_1_00_1020806751.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
PBS 3 37 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser PBS_p3_37 KIT3-0-5504_1020806801_37_0_1_1_10_11000002.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC1 3 38 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC1_p3 KIT3-0-5504_1020806801_38_0_1_1_03_721029.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC2 3 41 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p3 KIT3-0-5504_1020806801_41_0_1_1_00_1020805975.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC2 3 47 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p3 KIT3-0-5504_1020806801_47_0_1_1_00_1020805994.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC2 3 50 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p3 KIT3-0-5504_1020806801_50_0_1_1_04_721046.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC2 3 56 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p3 KIT3-0-5504_1020806801_56_0_1_1_00_1020805980.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC3 3 62 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry positive AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC3_p3 KIT3-0-5504_1020806801_62_0_1_1_05_721050.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv

Assay  3

Assay file name: a_e30_qm_fia_neg.txt
Technology: mass spectrometry
Platform: Flow Injection Analysis MS - Alternating (FIA-MS (Alternating))

Instrumentation

Sample Name Plate No Well Position Protocol REF Post Extraction Derivatization Extract Name Protocol REF Chromatography Instrument Column model Column type Labeled Extract Name Label Protocol REF Scan polarity Scan m/z range Instrument Ion source Mass analyzer MS Assay Name Raw Spectral Data File Protocol REF Normalization Name Derived Spectral Data File Protocol REF Data Transformation Name Metabolite Assignment File
Blank 1 1 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser Blank_p1 KIT3-0-5504_1020804084_01_1_1_1_01_10000001.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
Blank 1 1 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser Blank_p1 KIT3-0-5504_1020804084_01_1_1_2_01_10000001.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
Blank 1 1 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser Blank_p1 KIT3-0-5504_1020804084_01_1_1_3_01_10000001.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953402 1 4 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953402 KIT3-0-5504_1020804084_04_1_1_1_00_1020803508.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2951301 1 5 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2951301 KIT3-0-5504_1020804084_05_1_1_1_00_1020803319.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953338 1 6 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953338 KIT3-0-5504_1020804084_06_1_1_1_00_1020803425.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2951341 1 8 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2951341 KIT3-0-5504_1020804084_08_1_1_1_00_1020803361.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2951333 1 9 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2951333 KIT3-0-5504_1020804084_09_1_1_1_00_1020803357.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953314 1 10 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953314 KIT3-0-5504_1020804084_10_1_1_1_00_1020803395.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2998759 1 12 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2998759 KIT3-0-5504_1020804084_12_1_1_1_00_1020803600.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
PBS 1 13 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser PBS_p1_13 KIT3-0-5504_1020804084_13_1_1_1_10_11000002.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC2 1 16 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p1 KIT3-0-5504_1020804084_16_1_1_1_00_1020803614.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2966981 1 18 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2966981 KIT3-0-5504_1020804084_18_1_1_1_00_1020803531.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953346 1 21 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953346 KIT3-0-5504_1020804084_21_1_1_1_00_1020803430.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2943946 1 22 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2943946 KIT3-0-5504_1020804084_22_1_1_1_00_1020803274.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2951317 1 24 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2951317 KIT3-0-5504_1020804084_24_1_1_1_00_1020803338.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
PBS 1 25 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser PBS_p1_25 KIT3-0-5504_1020804084_25_1_1_1_10_11000002.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2951293 1 30 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2951293 KIT3-0-5504_1020804084_30_1_1_1_00_1020803304.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953386 1 33 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953386 KIT3-0-5504_1020804084_33_1_1_1_00_1020803482.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953322 1 34 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953322 KIT3-0-5504_1020804084_34_1_1_1_00_1020803406.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
PBS 1 37 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser PBS_p1_37 KIT3-0-5504_1020804084_37_1_1_1_10_11000002.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC1 1 38 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC1_p1 KIT3-0-5504_1020804084_38_1_1_1_03_721029.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953394 1 43 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953394 KIT3-0-5504_1020804084_43_1_1_1_00_1020803497.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC2 1 44 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p1 KIT3-0-5504_1020804084_44_1_1_1_00_1020803633.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2966662 1 45 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2966662 KIT3-0-5504_1020804084_45_1_1_1_00_1020803527.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2951309 1 46 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2951309 KIT3-0-5504_1020804084_46_1_1_1_00_1020803323.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2998829 1 47 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2998829 KIT3-0-5504_1020804084_47_1_1_1_00_1020803667.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2999178 1 48 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2999178 KIT3-0-5504_1020804084_48_1_1_1_00_1020803671.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC2 1 50 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p1 KIT3-0-5504_1020804084_50_1_1_1_04_721046.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953178 1 51 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953178 KIT3-0-5504_1020804084_51_1_1_1_00_1020803381.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953085 1 52 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953085 KIT3-0-5504_1020804084_52_1_1_1_00_1020803376.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953330 1 57 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953330 KIT3-0-5504_1020804084_57_1_1_1_00_1020803411.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2999044 1 59 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2999044 KIT3-0-5504_1020804084_59_1_1_1_00_1020803686.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2999393 1 60 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2999393 KIT3-0-5504_1020804084_60_1_1_1_00_1020803652.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC3 1 62 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC3_p1 KIT3-0-5504_1020804084_62_1_1_1_05_721050.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953354 1 65 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953354 KIT3-0-5504_1020804084_65_1_1_1_00_1020803444.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953378 1 66 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953378 KIT3-0-5504_1020804084_66_1_1_1_00_1020803478.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2974241 1 68 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2974241 KIT3-0-5504_1020804084_68_1_1_1_00_1020803584.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2974504 1 69 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2974504 KIT3-0-5504_1020804084_69_1_1_1_00_1020803599.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2968706 1 74 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2968706 KIT3-0-5504_1020804084_74_1_1_1_00_1020803565.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953370 1 76 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953370 KIT3-0-5504_1020804084_76_1_1_1_00_1020803463.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2951285 1 78 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2951285 KIT3-0-5504_1020804084_78_1_1_1_00_1020803293.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2951325 1 79 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2951325 KIT3-0-5504_1020804084_79_1_1_1_00_1020803342.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2999108 1 80 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2999108 KIT3-0-5504_1020804084_80_1_1_1_00_1020803551.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2967074 1 81 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2967074 KIT3-0-5504_1020804084_81_1_1_1_00_1020803546.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2927626 1 82 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2927626 KIT3-0-5504_1020804084_82_1_1_1_00_1020803260.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC2 1 83 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p1 KIT3-0-5504_1020804084_83_1_1_1_00_1020803648.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2944039 1 86 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2944039 KIT3-0-5504_1020804084_86_1_1_1_00_1020803289.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2927549 1 91 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2927549 KIT3-0-5504_1020804084_91_1_1_1_00_1020803255.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953362 1 92 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953362 KIT3-0-5504_1020804084_92_1_1_1_00_1020803459.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2966569 1 94 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2966569 KIT3-0-5504_1020804084_94_1_1_1_00_1020803512.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2971382 1 96 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2971382 KIT3-0-5504_1020804084_96_1_1_1_00_1020803570.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
Blank 2 1 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser Blank_p2 KIT3-0-5504_1020805961_01_1_1_1_01_10000001.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
Blank 2 1 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser Blank_p2 KIT3-0-5504_1020805961_01_1_1_2_01_10000001.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
Blank 2 1 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser Blank_p2 KIT3-0-5504_1020805961_01_1_1_3_01_10000001.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
PBS 2 13 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser PBS_p2_13 KIT3-0-5504_1020805961_13_1_1_1_10_11000002.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2927606 2 23 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2927606 KIT3-0-5504_1020805961_23_1_1_1_00_1020805767.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
PBS 2 25 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser PBS_p2_25 KIT3-0-5504_1020805961_25_1_1_1_10_11000002.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2967145 2 31 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2967145 KIT3-0-5504_1020805961_31_1_1_1_00_1020805733.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2927683 2 32 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2927683 KIT3-0-5504_1020805961_32_1_1_1_00_1020805752.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
PBS 2 37 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser PBS_p2_37 KIT3-0-5504_1020805961_37_1_1_1_10_11000002.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC1 2 38 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC1_p2 KIT3-0-5504_1020805961_38_1_1_1_03_721029.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC2 2 48 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p2 KIT3-0-5504_1020805961_48_1_1_1_00_1020805869.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC2 2 50 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p2 KIT3-0-5504_1020805961_50_1_1_1_04_721046.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC2 2 52 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p2 KIT3-0-5504_1020805961_52_1_1_1_00_1020805854.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953156 2 57 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953156 KIT3-0-5504_1020805961_57_1_1_1_00_1020805729.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC3 2 62 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC3_p2 KIT3-0-5504_1020805961_62_1_1_1_05_721050.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2967052 2 64 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2967052 KIT3-0-5504_1020805961_64_1_1_1_00_1020805748.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC2 2 68 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p2 KIT3-0-5504_1020805961_68_1_1_1_00_1020805873.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2953249 2 87 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2953249 KIT3-0-5504_1020805961_87_1_1_1_00_1020805714.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
Blank 3 1 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser Blank_p3 KIT3-0-5504_1020806801_01_1_1_1_01_10000001.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
Blank 3 1 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser Blank_p3 KIT3-0-5504_1020806801_01_1_1_2_01_10000001.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
Blank 3 1 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser Blank_p3 KIT3-0-5504_1020806801_01_1_1_3_01_10000001.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2966640 3 7 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2966640 KIT3-0-5504_1020806801_07_1_1_1_00_1020806747.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2944110 3 12 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2944110 KIT3-0-5504_1020806801_12_1_1_1_00_1020806732.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
PBS 3 13 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser PBS_p3_13 KIT3-0-5504_1020806801_13_1_1_1_10_11000002.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
PBS 3 25 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser PBS_p3_25 KIT3-0-5504_1020806801_25_1_1_1_10_11000002.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2944017 3 27 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2944017 KIT3-0-5504_1020806801_27_1_1_1_00_1020806728.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
2966733 3 30 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser 2966733 KIT3-0-5504_1020806801_30_1_1_1_00_1020806751.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
PBS 3 37 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser PBS_p3_37 KIT3-0-5504_1020806801_37_1_1_1_10_11000002.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC1 3 38 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC1_p3 KIT3-0-5504_1020806801_38_1_1_1_03_721029.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC2 3 41 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p3 KIT3-0-5504_1020806801_41_1_1_1_00_1020805975.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC2 3 47 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p3 KIT3-0-5504_1020806801_47_1_1_1_00_1020805994.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC2 3 50 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p3 KIT3-0-5504_1020806801_50_1_1_1_04_721046.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC2 3 56 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC2_p3 KIT3-0-5504_1020806801_56_1_1_1_00_1020805980.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
p180_QC3 3 62 Extraction Chromatography SCIEX ExionLC AC Mass spectrometry negative AB SCIEX QTRAP 5500 electrospray ionization linear quadrupole ion trap mass-to-charge analyser p180_QC3_p3 KIT3-0-5504_1020806801_62_1_1_1_05_721050.wiff Data transformation Metabolite identification m_e30_qm_fia_maf.tsv
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README.txt
KIT3-0-5504_1020804084_52_1_1_1_00_1020803376.wiff
KIT2-0-5504_1020805956_64_0_1_1_00_1020805748.wiff
KIT2-0-5504_1020806790_41_0_1_1_00_1020805975.wiff
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KIT2-0-5504_1020806790_37_0_1_1_10_11000002.wiff
KIT3-0-5504_1020804084_51_0_1_1_00_1020803381.wiff
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KIT3-0-5504_1020805961_25_1_1_1_10_11000002.wiff
KIT3-0-5504_1020804084_18_0_1_1_00_1020803531.wiff
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KIT2-0-5504_1020804070_92_0_1_1_00_1020803459.wiff
KIT2-0-5504_1020805956_26_0_1_1_18_20000617.wiff
KIT3-0-5504_1020805961_01_0_1_1_01_10000001.wiff
KIT2-0-5504_1020804070_12_0_1_1_00_1020803600.wiff
UM-MetIDQ-Boron-3.pdf
MaHPIC_File_Naming_Standards_2_23_2018.docx
KIT2-0-5504_1020805956_01_0_1_2_01_10000001.wiff
KIT2-0-5504_1020806790_01_0_1_3_01_10000001.wiff
KIT3-0-5504_1020804084_60_0_1_1_00_1020803652.wiff
KIT3-0-5504_1020805961_48_0_1_1_00_1020805869.wiff
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KIT2-0-5504_1020804070_01_0_1_1_01_10000001.wiff
KIT3-0-5504_1020805961_23_1_1_1_00_1020805767.wiff
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KIT2-0-5504_1020804070_44_0_1_1_00_1020803633.wiff
E30M99MEMmKnDaZZ_Experiment-Summary-Diagram-Supplementary_XXXXXXX.pdf
KIT3-0-5504_1020804084_21_1_1_1_00_1020803430.wiff
KIT2-0-5504_1020804070_06_0_1_1_00_1020803425.wiff
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KIT3-0-5504_1020804084_44_1_1_1_00_1020803633.wiff
KIT2-0-5504_1020804070_50_0_1_1_04_721046.wiff
KIT3-0-5504_1020806801_62_1_1_1_05_721050.wiff
KIT3-0-5504_1020804084_01_0_1_1_01_10000001.wiff
KIT3-0-5504_1020804084_01_0_1_3_01_10000001.wiff
KIT3-0-5504_1020805961_13_1_1_1_10_11000002.wiff
KIT3-0-5504_1020805961_01_1_1_3_01_10000001.wiff
KIT3-0-5504_1020804084_37_0_1_1_10_11000002.wiff
KIT2-0-5504_1020804070_73_0_1_1_14_20000613.wiff
KIT3-0-5504_1020804084_69_1_1_1_00_1020803599.wiff
KIT3-0-5504_1020806801_62_0_1_1_05_721050.wiff
KIT2-0-5504_1020805956_23_0_1_1_00_1020805767.wiff
KIT3-0-5504_1020805961_13_0_1_1_10_11000002.wiff
KIT3-0-5504_1020806801_01_0_1_3_01_10000001.wiff
KIT3-0-5504_1020805961_52_0_1_1_00_1020805854.wiff
KIT2-0-5504_1020806790_01_0_1_1_01_10000001.wiff
KIT2-0-5504_1020806790_13_0_1_1_10_11000002.wiff
KIT3-0-5504_1020804084_05_1_1_1_00_1020803319.wiff
KIT3-0-5504_1020805961_01_0_1_3_01_10000001.wiff
KIT3-0-5504_1020804084_86_0_1_1_00_1020803289.wiff
KIT3-0-5504_1020804084_16_0_1_1_00_1020803614.wiff
KIT3-0-5504_1020806801_25_1_1_1_10_11000002.wiff
KIT2-0-5504_1020804070_18_0_1_1_00_1020803531.wiff
__MACOSX
KIT2-0-5504_1020805956_87_0_1_1_00_1020805714.wiff
KIT3-0-5504_1020804084_46_0_1_1_00_1020803323.wiff
KIT3-0-5504_1020804084_68_0_1_1_00_1020803584.wiff
KIT3-0-5504_1020804084_91_0_1_1_00_1020803255.wiff
KIT3-0-5504_1020804084_12_1_1_1_00_1020803600.wiff
KIT2-0-5504_1020804070_43_0_1_1_00_1020803497.wiff
KIT3-0-5504_1020805961_25_0_1_1_10_11000002.wiff
KIT2-0-5504_1020804070_22_0_1_1_00_1020803274.wiff
KIT3-0-5504_1020806801_13_0_1_1_10_11000002.wiff
KIT3-0-5504_1020804084_37_1_1_1_10_11000002.wiff
KIT2-0-5504_1020804070_52_0_1_1_00_1020803376.wiff
KIT3-0-5504_1020804084_33_0_1_1_00_1020803482.wiff
KIT2-0-5504_1020805956_62_0_1_1_05_721050.wiff
E03_HuB_E30_E06_E07_Metabolomics_Lipidomics_SOP_13DEC2017.docx
KIT3-0-5504_1020806801_12_0_1_1_00_1020806732.wiff
KIT3-0-5504_1020806801_01_1_1_3_01_10000001.wiff
KIT2-0-5504_1020805956_14_0_1_1_17_20000616.wiff
KIT3-0-5504_1020804084_47_1_1_1_00_1020803667.wiff
UM_p180_SCIEX_13.pdf
KIT2-0-5504_1020805956_13_0_1_1_10_11000002.wiff
KIT2-0-5504_1020804070_04_0_1_1_00_1020803508.wiff
KIT3-0-5504_1020804084_21_0_1_1_00_1020803430.wiff
KIT3-0-5504_1020805961_62_0_1_1_05_721050.wiff
KIT3-0-5504_1020805961_62_1_1_1_05_721050.wiff
KIT3-0-5504_1020804084_51_1_1_1_00_1020803381.wiff
KIT3-0-5504_1020805961_38_0_1_1_03_721029.wiff
KIT2-0-5504_1020805956_61_0_1_1_13_20000612.wiff
KIT2-0-5504_1020805956_73_0_1_1_14_20000613.wiff
KIT3-0-5504_1020804084_43_1_1_1_00_1020803497.wiff
KIT3-0-5504_1020804084_04_1_1_1_00_1020803508.wiff
E99M99QMXXXXXXZZ_E03-E30-E07-E06-HuB-Analytical-Metadata-01232018_MULTIPL.xlsx
KIT2-0-5504_1020804070_94_0_1_1_00_1020803512.wiff
KIT2-0-5504_1020805956_31_0_1_1_00_1020805733.wiff
KIT2-0-5504_1020804070_46_0_1_1_00_1020803323.wiff
KIT3-0-5504_1020805961_48_1_1_1_00_1020805869.wiff
KIT2-0-5504_1020804070_08_0_1_1_00_1020803361.wiff
KIT2-0-5504_1020806790_49_0_1_1_02_20000611.wiff
KIT2-0-5504_1020806790_30_0_1_1_00_1020806751.wiff
isa
KIT2-0-5504_1020805956_57_0_1_1_00_1020805729.wiff
KIT2-0-5504_1020806790_62_0_1_1_05_721050.wiff
KIT3-0-5504_1020806801_50_0_1_1_04_721046.wiff
KIT2-0-5504_1020804070_24_0_1_1_00_1020803338.wiff
KIT2-0-5504_1020804070_33_0_1_1_00_1020803482.wiff
KIT3-0-5504_1020805961_52_1_1_1_00_1020805854.wiff
KIT3-0-5504_1020804084_92_0_1_1_00_1020803459.wiff
KIT3-0-5504_1020804084_94_1_1_1_00_1020803512.wiff
KIT3-0-5504_1020804084_65_1_1_1_00_1020803444.wiff
KIT3-0-5504_1020804084_06_0_1_1_00_1020803425.wiff
E30M99QMMmKnDaZZ_FIA-ExpResults-11202018_MULTIPL.xlsx
KIT3-0-5504_1020804084_74_0_1_1_00_1020803565.wiff
KIT3-0-5504_1020804084_80_0_1_1_00_1020803551.wiff
KIT2-0-5504_1020804070_30_0_1_1_00_1020803304.wiff
KIT3-0-5504_1020804084_82_0_1_1_00_1020803260.wiff
KIT3-0-5504_1020804084_59_1_1_1_00_1020803686.wiff
KIT3-0-5504_1020804084_78_0_1_1_00_1020803293.wiff
KIT3-0-5504_1020805961_50_1_1_1_04_721046.wiff
a_e30_qm_fia_neg.txt
KIT3-0-5504_1020804084_50_0_1_1_04_721046.wiff
KIT2-0-5504_1020804070_38_0_1_1_03_721029.wiff
KIT2-0-5504_1020806790_26_0_1_1_18_20000617.wiff
KIT2-0-5504_1020804070_21_0_1_1_00_1020803430.wiff
KIT3-0-5504_1020805961_57_1_1_1_00_1020805729.wiff
KIT2-0-5504_1020804070_34_0_1_1_00_1020803406.wiff
KIT2-0-5504_1020804070_65_0_1_1_00_1020803444.wiff
KIT3-0-5504_1020804084_92_1_1_1_00_1020803459.wiff
KIT3-0-5504_1020804084_50_1_1_1_04_721046.wiff
KIT2-0-5504_1020804070_26_0_1_1_18_20000617.wiff
KIT2-0-5504_1020806790_25_0_1_1_10_11000002.wiff
KIT2-0-5504_1020804070_45_0_1_1_00_1020803527.wiff
KIT2-0-5504_1020806790_47_0_1_1_00_1020805994.wiff
KIT3-0-5504_1020804084_45_0_1_1_00_1020803527.wiff
KIT3-0-5504_1020806801_01_0_1_2_01_10000001.wiff
KIT3-0-5504_1020804084_44_0_1_1_00_1020803633.wiff
KIT3-0-5504_1020805961_57_0_1_1_00_1020805729.wiff
KIT3-0-5504_1020804084_48_0_1_1_00_1020803671.wiff
KIT3-0-5504_1020804084_83_1_1_1_00_1020803648.wiff
KIT2-0-5504_1020806790_01_0_1_2_01_10000001.wiff
KIT2-0-5504_1020806790_61_0_1_1_13_20000612.wiff
ListofMetabolites_p180.pdf
KIT3-0-5504_1020804084_43_0_1_1_00_1020803497.wiff
KIT2-0-5504_1020804070_69_0_1_1_00_1020803599.wiff
KIT3-0-5504_1020806801_07_1_1_1_00_1020806747.wiff
KIT2-0-5504_1020806790_14_0_1_1_17_20000616.wiff
KIT3-0-5504_1020805961_37_1_1_1_10_11000002.wiff
KIT3-0-5504_1020804084_81_0_1_1_00_1020803546.wiff
KIT3-0-5504_1020804084_13_0_1_1_10_11000002.wiff
KIT2-0-5504_1020804070_49_0_1_1_02_20000611.wiff
KIT3-0-5504_1020804084_30_0_1_1_00_1020803304.wiff
KIT3-0-5504_1020804084_24_0_1_1_00_1020803338.wiff
KIT3-0-5504_1020805961_38_1_1_1_03_721029.wiff
KIT3-0-5504_1020804084_05_0_1_1_00_1020803319.wiff
KIT3-0-5504_1020804084_79_1_1_1_00_1020803342.wiff
KIT2-0-5504_1020804070_79_0_1_1_00_1020803342.wiff
KIT3-0-5504_1020804084_80_1_1_1_00_1020803551.wiff
KIT2-0-5504_1020806790_07_0_1_1_00_1020806747.wiff
KIT3-0-5504_1020804084_16_1_1_1_00_1020803614.wiff
KIT3-0-5504_1020804084_47_0_1_1_00_1020803667.wiff
KIT3-0-5504_1020804084_86_1_1_1_00_1020803289.wiff
KIT2-0-5504_1020804070_76_0_1_1_00_1020803463.wiff
KIT3-0-5504_1020806801_27_0_1_1_00_1020806728.wiff
KIT3-0-5504_1020805961_50_0_1_1_04_721046.wiff
KIT3-0-5504_1020806801_50_1_1_1_04_721046.wiff
KIT2-0-5504_1020805956_01_0_1_1_01_10000001.wiff
KIT3-0-5504_1020805961_32_0_1_1_00_1020805752.wiff
KIT2-0-5504_1020806790_02_0_1_1_16_20000615.wiff
KIT3-0-5504_1020804084_10_1_1_1_00_1020803395.wiff
KIT3-0-5504_1020804084_65_0_1_1_00_1020803444.wiff
KIT3-0-5504_1020804084_34_0_1_1_00_1020803406.wiff
KIT2-0-5504_1020806790_12_0_1_1_00_1020806732.wiff
KIT3-0-5504_1020805961_31_1_1_1_00_1020805733.wiff
KIT2-0-5504_1020804070_66_0_1_1_00_1020803478.wiff
KIT3-0-5504_1020805961_64_1_1_1_00_1020805748.wiff
KIT2-0-5504_1020804070_60_0_1_1_00_1020803652.wiff
a_e30_qm_fia_pos.txt
KIT2-0-5504_1020804070_83_0_1_1_00_1020803648.wiff
KIT3-0-5504_1020806801_38_0_1_1_03_721029.wiff
KIT3-0-5504_1020806801_41_1_1_1_00_1020805975.wiff
KIT3-0-5504_1020804084_62_1_1_1_05_721050.wiff
KIT3-0-5504_1020805961_31_0_1_1_00_1020805733.wiff
KIT2-0-5504_1020805956_50_0_1_1_04_721046.wiff
KIT2-0-5504_1020804070_86_0_1_1_00_1020803289.wiff
KIT2-0-5504_1020805956_85_0_1_1_15_20000614.wiff
E30M99MEMmKnDaZZ_Supporting-Clinical-Information_MULTIPL.pdf
KIT3-0-5504_1020804084_08_0_1_1_00_1020803361.wiff
KIT2-0-5504_1020804070_57_0_1_1_00_1020803411.wiff
KIT2-0-5504_1020804070_51_0_1_1_00_1020803381.wiff
KIT2-0-5504_1020805956_02_0_1_1_16_20000615.wiff
KIT3-0-5504_1020806801_30_0_1_1_00_1020806751.wiff
KIT2-0-5504_1020805956_37_0_1_1_10_11000002.wiff
KIT2-0-5504_1020804070_16_0_1_1_00_1020803614.wiff
KIT3-0-5504_1020804084_09_0_1_1_00_1020803357.wiff
KIT3-0-5504_1020804084_01_1_1_2_01_10000001.wiff
KIT2-0-5504_1020805956_32_0_1_1_00_1020805752.wiff
KIT3-0-5504_1020806801_47_1_1_1_00_1020805994.wiff
KIT3-0-5504_1020804084_82_1_1_1_00_1020803260.wiff
KIT3-0-5504_1020806801_37_0_1_1_10_11000002.wiff
KIT3-0-5504_1020805961_01_1_1_2_01_10000001.wiff
KIT2-0-5504_1020804070_01_0_1_3_01_10000001.wiff
KIT3-0-5504_1020806801_01_1_1_2_01_10000001.wiff
KIT2-0-5504_1020804070_37_0_1_1_10_11000002.wiff
KIT3-0-5504_1020804084_96_0_1_1_00_1020803570.wiff
KIT2-0-5504_1020805956_38_0_1_1_03_721029.wiff
KIT2-0-5504_1020804070_13_0_1_1_10_11000002.wiff
KIT2-0-5504_1020804070_02_0_1_1_16_20000615.wiff
KIT3-0-5504_1020804084_45_1_1_1_00_1020803527.wiff
KIT3-0-5504_1020806801_37_1_1_1_10_11000002.wiff
KIT2-0-5504_1020804070_25_0_1_1_10_11000002.wiff
KIT3-0-5504_1020804084_78_1_1_1_00_1020803293.wiff
KIT3-0-5504_1020804084_69_0_1_1_00_1020803599.wiff
KIT3-0-5504_1020804084_12_0_1_1_00_1020803600.wiff
KIT3-0-5504_1020804084_57_0_1_1_00_1020803411.wiff
KIT3-0-5504_1020805961_68_1_1_1_00_1020805873.wiff
E30M99QMMmKnDaZZ_LCMS-ExpResults-11202018_MULTIPL.xlsx
KIT2-0-5504_1020804070_85_0_1_1_15_20000614.wiff
KIT2-0-5504_1020804070_09_0_1_1_00_1020803357.wiff
KIT3-0-5504_1020804084_76_1_1_1_00_1020803463.wiff
KIT2-0-5504_1020805956_48_0_1_1_00_1020805869.wiff
KIT3-0-5504_1020804084_01_1_1_1_01_10000001.wiff
KIT3-0-5504_1020805961_23_0_1_1_00_1020805767.wiff
KIT3-0-5504_1020804084_62_0_1_1_05_721050.wiff
KIT3-0-5504_1020806801_12_1_1_1_00_1020806732.wiff
KIT2-0-5504_1020806790_38_0_1_1_03_721029.wiff
KIT3-0-5504_1020804084_76_0_1_1_00_1020803463.wiff
KIT3-0-5504_1020806801_25_0_1_1_10_11000002.wiff
KIT2-0-5504_1020805956_68_0_1_1_00_1020805873.wiff
KIT3-0-5504_1020806801_01_0_1_1_01_10000001.wiff
KIT2-0-5504_1020806790_85_0_1_1_15_20000614.wiff
KIT3-0-5504_1020804084_13_1_1_1_10_11000002.wiff
KIT2-0-5504_1020806790_27_0_1_1_00_1020806728.wiff
KIT3-0-5504_1020806801_47_0_1_1_00_1020805994.wiff
KIT3-0-5504_1020804084_24_1_1_1_00_1020803338.wiff
KIT2-0-5504_1020805956_01_0_1_3_01_10000001.wiff
KIT3-0-5504_1020804084_79_0_1_1_00_1020803342.wiff
KIT2-0-5504_1020804070_68_0_1_1_00_1020803584.wiff
KIT3-0-5504_1020806801_56_1_1_1_00_1020805980.wiff
KIT2-0-5504_1020804070_48_0_1_1_00_1020803671.wiff
KIT3-0-5504_1020804084_25_0_1_1_10_11000002.wiff
KIT3-0-5504_1020804084_38_0_1_1_03_721029.wiff
KIT3-0-5504_1020805961_87_1_1_1_00_1020805714.wiff
KIT2-0-5504_1020804070_59_0_1_1_00_1020803686.wiff
KIT3-0-5504_1020805961_37_0_1_1_10_11000002.wiff
KIT3-0-5504_1020805961_01_0_1_2_01_10000001.wiff
KIT3-0-5504_1020804084_57_1_1_1_00_1020803411.wiff
KIT2-0-5504_1020804070_80_0_1_1_00_1020803551.wiff
KIT3-0-5504_1020804084_18_1_1_1_00_1020803531.wiff
KIT2-0-5504_1020806790_73_0_1_1_14_20000613.wiff
KIT2-0-5504_1020804070_74_0_1_1_00_1020803565.wiff
KIT3-0-5504_1020806801_38_1_1_1_03_721029.wiff
KIT3-0-5504_1020804084_34_1_1_1_00_1020803406.wiff
KIT3-0-5504_1020804084_30_1_1_1_00_1020803304.wiff
KIT3-0-5504_1020806801_30_1_1_1_00_1020806751.wiff
KIT3-0-5504_1020804084_83_0_1_1_00_1020803648.wiff
KIT3-0-5504_1020804084_22_0_1_1_00_1020803274.wiff
KIT2-0-5504_1020804070_61_0_1_1_13_20000612.wiff
i_Investigation.txt
m_e30_qm_fia_maf.tsv
m_e30_qm_lcms_maf.tsv
s_e30_qm_samples.txt
a_e30_qm_lcms.txt
metexplore_mapping.json

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Validations marked with (*) have been allowed by the MetaboLights Curators.
Click here for the detailed description of Validations.
Condition Status Description Requirement Group Message
PASSES Study Title MANDATORY STUDY OK
PASSES Study Description MANDATORY STUDY OK
* PASSES Study text successfully parsed OPTIONAL STUDY Study description, contains characters that cannot be successfully parsed
* PASSES Study Contact(s) have listed email MANDATORY CONTACT Not all Study Contacts have their emails listed
PASSES Sample(s) MANDATORY SAMPLES OK
PASSES Sample Name consistency check MANDATORY ASSAYS OK
* PASSES Publication(s) associated with this Study MANDATORY PUBLICATION Study Publication is missing
PASSES Minimal Experimental protocol MANDATORY PROTOCOLS OK
PASSES Comprehensive Experimental protocol OPTIONAL PROTOCOLS OK
PASSES Extraction protocol description MANDATORY PROTOCOLS OK
PASSES Data transformation protocol description MANDATORY PROTOCOLS OK
PASSES Metabolite Identification protocol description MANDATORY PROTOCOLS OK
PASSES Mass spectrometry protocol description MANDATORY PROTOCOLS OK
PASSES Chromatography protocol description MANDATORY PROTOCOLS OK
PASSES Sample Collection protocol description MANDATORY PROTOCOLS OK
PASSES Protocols text successfully parsed OPTIONAL PROTOCOLS OK
PASSES Organism name MANDATORY ORGANISM OK
PASSES Organism part MANDATORY ORGANISM OK
PASSES Study Factors MANDATORY FACTORS OK
PASSES Assay platform information OPTIONAL ASSAYS OK
PASSES Assay has raw files referenced MANDATORY FILES OK
PASSES Assay referenced raw files detection in filesystem MANDATORY FILES OK
PASSES Raw files in the Assay(s) have the correct format MANDATORY FILES OK
PASSES Assay(s) MANDATORY ASSAYS OK
PASSES All Assays have Metabolite Assignment File (MAF) referenced OPTIONAL FILES OK
PASSES Metabolite Assignment File (MAF) is present in Study folder MANDATORY FILES OK
PASSES Metabolite Assignment File (MAF) has correct format MANDATORY FILES OK
PASSES Metabolite Identification File (MAF) content MANDATORY FILES OK
PASSES ISA-Tab investigation file check MANDATORY ISATAB OK

Pathways - Assay  1



MetExplore Pathways Mapping

Name DB Identifier Mapped Metabolite(s)

Pathways - Assay  2



MetExplore Pathways Mapping

Name DB Identifier Mapped Metabolite(s)

Pathways - Assay  3



MetExplore Pathways Mapping

Name DB Identifier Mapped Metabolite(s)