Listing 1 氨基酸TargetLynx标准化流程的示例(Gray N. et al. Human Plasma and Serum via Precolumn Derivatization with 6‑Aminoquinolyl‑N‑hydroxysuccinimidyl Carbamate: Application to Acetaminophen-Induced Liver Failure. Analytical Chemistry, 89, 2017, 2478−2487)
{
"methodName":"Amino Acid",
"chromatography":"R",
"ionisation":"POS",
"compoundID": ["1","2","3","4","5","6","7","8","9","10","11","12","13","14","15","16","17","18","19","20","21","22","23","24","25","26","27","28","29","30","31","32","33","34","35","36","37","38","39","40","41","42","43","44","45","46","47","48","49","50","51","52","53","54","55","56","57","58","59","60","61","62","63","64","65","66","67","68","69","70","71","72","73"],
"compoundName": ["4-Hydroxyproline","Alanine","Alanine-13C3-15N","Arginine","Arginine-13C6-15N4","Aspartic acid","Aspartic acid-13C4-15N","Asparagine","Carnosine","Cystine","Ethanolamine","Glutamic acid","Glutamic acid-13C5-15N","Glutamine","Glutamine-13C5","Glycine","Glycine-13C2-15N","Histidine","Histidine-13C6-15N3","Isoleucine","Isoleucine-13C6-15N","Leucine","Leucine-13C6-15N","Lysine","Lysine-13C6-15N2","Methionine","Methionine-13C5-15N","Phenylalanine","Phenylalanine-13C9-15N","Proline","Proline-13C5-15N","Serine","Serine-13C3-15N","Threonine","Threonine-13C4-15N","Tryptophan","Tyrosine","Valine","Valine-13C5-15N","beta-Amino-iso-Butyric acid","Citrulline","Cystathionine","3-Methylhistidine","1-Methylhistidine","Homoserine","Hydroxylysine","Ornithine","Aminoadipic acid","alpha-Amino-n-Butyric acid","Phosphoserine","Sarcosine","Taurine","beta-Alanine","gamma-Amino-n-Butyric acid","Methylamine","Creatine","4-Aminohippuric acid","5-Aminovaleric acid","Allantoin","Anserine","Cysteine","Epinephrine","Galactosamine","Glutathione","Homocystine","N-methyl-L-phenylalanine","N-methyl-valine","Octopamine","Putrescine","Tryptamine","Tyramine","Tyrosine-13C9-15N","Glycylglycine"],
"IS": ["False","False","True","False","True","False","True","False","False","False","False","False","True","False","True","False","True","False","True","False","True","False","True","False","True","False","True","False","True","False","True","False","True","False","True","False","False","False","True","False","False","False","False","False","False","False","False","False","False","False","False","False","False","False","False","False","False","False","False","False","False","False","False","False","False","False","False","False","False","False","False","True","False"],
"unitFinal":["\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","\u00B5M","noUnit","noUnit","noUnit","noUnit","noUnit","noUnit","noUnit","noUnit","noUnit","noUnit","noUnit","noUnit","noUnit","noUnit","noUnit","noUnit","noUnit","\u00B5M","noUnit"],
"unitCorrectionFactor": ["1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1","1"],
"calibrationMethod": ["backcalculatedIS","backcalculatedIS","noIS","backcalculatedIS","noIS","backcalculatedIS","noIS","backcalculatedIS","backcalculatedIS","backcalculatedIS","backcalculatedIS","backcalculatedIS","noIS","backcalculatedIS","noIS","backcalculatedIS","noIS","backcalculatedIS","noIS","backcalculatedIS","noIS","backcalculatedIS","noIS","backcalculatedIS","noIS","backcalculatedIS","noIS","backcalculatedIS","noIS","backcalculatedIS","noIS","backcalculatedIS","noIS","backcalculatedIS","noIS","backcalculatedIS","backcalculatedIS","backcalculatedIS","noIS","backcalculatedIS","backcalculatedIS","backcalculatedIS","backcalculatedIS","backcalculatedIS","backcalculatedIS","backcalculatedIS","backcalculatedIS","backcalculatedIS","backcalculatedIS","backcalculatedIS","backcalculatedIS","backcalculatedIS","backcalculatedIS","backcalculatedIS","noCalibration","noCalibration","noCalibration","noCalibration","noCalibration","noCalibration","noCalibration","noCalibration","noCalibration","noCalibration","noCalibration","noCalibration","noCalibration","noCalibration","noCalibration","noCalibration","noCalibration","noIS","noCalibration"],
"calibrationEquation": ["((area * responseFactor)-b)/a","((area * responseFactor)-b)/a","","((area * responseFactor)-b)/a","","((area * responseFactor)-b)/a","","((area * responseFactor)-b)/a","((area * responseFactor)-b)/a","((area * responseFactor)-b)/a","((area * responseFactor)-b)/a","((area * responseFactor)-b)/a","","((area * responseFactor)-b)/a","","((area * responseFactor)-b)/a","","((area * responseFactor)-b)/a","","((area * responseFactor)-b)/a","","((area * responseFactor)-b)/a","","((area * responseFactor)-b)/a","","((area * responseFactor)-b)/a","","((area * responseFactor)-b)/a","","((area * responseFactor)-b)/a","","((area * responseFactor)-b)/a","","((area * responseFactor)-b)/a","","((area * responseFactor)-b)/a","((area * responseFactor)-b)/a","((area * responseFactor)-b)/a","","((area * responseFactor)-b)/a","((area * responseFactor)-b)/a","((area * responseFactor)-b)/a","((area * responseFactor)-b)/a","((area * responseFactor)-b)/a","((area * responseFactor)-b)/a","((area * responseFactor)-b)/a","((area * responseFactor)-b)/a","((area * responseFactor)-b)/a","((area * responseFactor)-b)/a","((area * responseFactor)-b)/a","((area * responseFactor)-b)/a","((area * responseFactor)-b)/a","((area * responseFactor)-b)/a","((area * responseFactor)-b)/a","","","","","","","","","","","","","","","","","","",""],
"quantificationType": ["QuantAltLabeledAnalogue","QuantOwnLabeledAnalogue","IS","QuantOwnLabeledAnalogue","IS","QuantOwnLabeledAnalogue","IS","QuantAltLabeledAnalogue","QuantAltLabeledAnalogue","QuantAltLabeledAnalogue","QuantAltLabeledAnalogue","QuantOwnLabeledAnalogue","IS","QuantOwnLabeledAnalogue","IS","QuantOwnLabeledAnalogue","IS","QuantOwnLabeledAnalogue","IS","QuantOwnLabeledAnalogue","IS","QuantOwnLabeledAnalogue","IS","QuantOwnLabeledAnalogue","IS","QuantOwnLabeledAnalogue","IS","QuantOwnLabeledAnalogue","IS","QuantOwnLabeledAnalogue","IS","QuantOwnLabeledAnalogue","IS","QuantOwnLabeledAnalogue","IS","QuantAltLabeledAnalogue","QuantAltLabeledAnalogue","QuantOwnLabeledAnalogue","IS","QuantAltLabeledAnalogue","QuantAltLabeledAnalogue","QuantAltLabeledAnalogue","QuantAltLabeledAnalogue","QuantAltLabeledAnalogue","QuantAltLabeledAnalogue","QuantAltLabeledAnalogue","QuantAltLabeledAnalogue","QuantAltLabeledAnalogue","QuantAltLabeledAnalogue","QuantAltLabeledAnalogue","QuantAltLabeledAnalogue","QuantAltLabeledAnalogue","QuantAltLabeledAnalogue","QuantAltLabeledAnalogue","Monitored","Monitored","Monitored","Monitored","Monitored","Monitored","Monitored","Monitored","Monitored","Monitored","Monitored","Monitored","Monitored","Monitored","Monitored","Monitored","Monitored","IS","Monitored"],
"externalID":[],
"sampleMetadataNotExported":["TargetLynx Sample ID", "MassLynx Row ID", "Acqu Date", "Acqu Time", "Instrument", "Sample Type"],
"featureMetadataNotExported":["calibrationEquation", "TargetLynx Feature ID", "unitCorrectionFactor", "CpdInfo", "Cpd Info", "Noise (area)", "a", "b", "r", "r2", "r^2", "# left", "Excluded"],
"analyticalMeasurements":{"Study" : "categorical", "Instrument" : "categorical", "Re-Run" : "categorical", "Suplemental Injections" : "categorical", "Matrix" : "categorical", "Well" : "categorical", "Plate" : "categorical", "Batch" : "categorical", "Dilution" : "continuous", "Measurement Date" : "date", "Measurement Time" : "date", "Acquired Time" : "date", "Run Order" : "continuous", "Correction Batch" : "categorical", "Assay data name": "categorical", "Assay data location": "categorical", "Sample position": "categorical", "Sample batch": "categorical", "Acquisition batch": "categorical", "Plot Sample Type": "categorical", "AssayRole": "categorical", "SampleType": "categorical", "Exclusion Details": "categorical", "Skipped": "categorical", "Assay protocol": "categorical"},
"excludeFromPlotting":["Sample File Name", "Sample Base Name", "Batch Termini", "Study Reference", "Long-Term Reference", "Method Reference", "Dilution Series", "Skipped", "Study Sample", "File Path", "Exclusion Details", "Assay protocol", "Status", "Measurement Date", "Measurement Time", "Data Present", "LIMS Present", "LIMS Marked Missing", "Assay data name", "Assay data location", "AssayRole", "SampleType", "Sampling ID", "Plot Sample Type", "SubjectInfoData", "Detector Unit", "TargetLynx Sample ID", "MassLynx Row ID"]
}