Pesticides_TestMix_MS_DA.m InMemoryMethod true false 609 Unspecified Unspecified DigitsAfterDecimal 2 None Auto-generate folder at data file location true Report destination Print Printer name: <Default> Results to include: HighlightedResults Maximum number of spectral peaks: 10 1 9223372036854775807 Unspecified Unspecified DigitsAfterDecimal 0 None Limit spectral peaks: false Only Visible Columns true Show overlaid signals false Chromagtogram Anchored Mode false Use Blocking Call true Report contents AllDataItems -1 -1 9223372036854775807 Unspecified Unspecified DigitsAfterDecimal 0 None Selected Template Single Analysis Overwrite existing data false -1 -1 9223372036854775807 Unspecified Unspecified DigitsAfterDecimal 0 None Column Names Sorting Column Names Sorting Order Delimiter , 0 0 9223372036854775807 Unspecified Unspecified DigitsAfterDecimal 0 None Integrator Selection OriginalMsMs Point sampling: 1 1 9 Unspecified Unspecified DigitsAfterDecimal 0 None Smoothing false Filtering: FivePoint Start threshold: 0.2 0.001 100 Unspecified Unspecified DigitsAfterDecimal 3 None Stop threshold: 0 0 100 Unspecified Unspecified DigitsAfterDecimal 1 None Peak location: Top Baseline reset > 5 0 500 Unspecified Unspecified DigitsAfterDecimal 0 None If either edge < 100 1 100 Unspecified Unspecified DigitsAfterDecimal 0 None Baseline Preference Tangent Tangent skim mode: Standard Baseline correction mode: Classical Front skim height ratio: 0 0 Unspecified Unspecified DigitsAfterDecimal 2 None Tail skim height ratio: 0 0 Unspecified Unspecified DigitsAfterDecimal 2 None Skim valley ratio: 20 0 Unspecified Unspecified DigitsAfterDecimal 2 None Peak-to-Valley ratio: 500 0 Unspecified Unspecified DigitsAfterDecimal 2 None SlopeSensitivity False 5 0 Unspecified Unspecified DigitsAfterDecimal 2 None BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly PeakWidth False 0.05 0 Unspecified Unspecified DigitsAfterDecimal 2 None BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly AreaReject False 5 -1.79769313486232E+308 Unspecified Unspecified DigitsAfterDecimal 2 None BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly HeightReject False 1 -1.79769313486232E+308 Unspecified Unspecified DigitsAfterDecimal 2 None BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly ShouldersMode False OFF BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly BaselineNow True true BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly Shoulder detection OFF Threshold: 0 0 Unspecified Unspecified DigitsAfterDecimal 2 None Area reject: 0 0 Unspecified Unspecified DigitsAfterDecimal 2 None Peak width: 0 0 Unspecified Unspecified DigitsAfterDecimal 2 None true BaselineNow True true BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly PeakAreaPctThreshold Peak area (counts) >= 10000 0 Abundance Response DigitsAfterDecimal 0 None Peak area (%) >= 1 0 100 Abundance Response DigitsAfterDecimal 3 None Peak height (counts) >= 10000 0 Abundance Response DigitsAfterDecimal 0 None Peak height (%) >= 5 0 100 Abundance Response DigitsAfterDecimal 3 None Limit to largest: 100 0 Unspecified Unspecified DigitsAfterDecimal 0 None 0 0 Abundance Response DigitsAfterDecimal 2 None 5 0 Unspecified Unspecified DigitsAfterDecimal 1 None 1 1 Unspecified Unspecified DigitsAfterDecimal 0 None false Annotate fragment spectrum peaks with formulas false Generate formulas for non-fragment (unknown) ions false true true false Clear previous peak spectra true Highlight all peaks false Integration false false Integrator Selection OriginalMsMs Point sampling: 1 1 9 Unspecified Unspecified DigitsAfterDecimal 0 None Smoothing false Filtering: FivePoint Start threshold: 0.2 0.001 100 Unspecified Unspecified DigitsAfterDecimal 3 None Stop threshold: 0 0 100 Unspecified Unspecified DigitsAfterDecimal 1 None Peak location: Top Baseline reset > 5 0 500 Unspecified Unspecified DigitsAfterDecimal 0 None If either edge < 100 1 100 Unspecified Unspecified DigitsAfterDecimal 0 None Baseline Preference Tangent Tangent skim mode: Standard Baseline correction mode: Classical Front skim height ratio: 0 0 Unspecified Unspecified DigitsAfterDecimal 2 None Tail skim height ratio: 0 0 Unspecified Unspecified DigitsAfterDecimal 2 None Skim valley ratio: 20 0 Unspecified Unspecified DigitsAfterDecimal 2 None Peak-to-Valley ratio: 500 0 Unspecified Unspecified DigitsAfterDecimal 2 None SlopeSensitivity False 5 0 Unspecified Unspecified DigitsAfterDecimal 2 None BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly PeakWidth False 0.05 0 Unspecified Unspecified DigitsAfterDecimal 2 None BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly AreaReject False 5 -1.79769313486232E+308 Unspecified Unspecified DigitsAfterDecimal 2 None BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly HeightReject False 1 -1.79769313486232E+308 Unspecified Unspecified DigitsAfterDecimal 2 None BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly ShouldersMode False OFF BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly BaselineNow True true BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly Shoulder detection OFF Threshold: 0 0 Unspecified Unspecified DigitsAfterDecimal 2 None Area reject: 0 0 Unspecified Unspecified DigitsAfterDecimal 2 None Peak width: 0 0 Unspecified Unspecified DigitsAfterDecimal 2 None true BaselineNow True true BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly PeakAreaPctThreshold Peak area (counts) >= 10000 0 Abundance Response DigitsAfterDecimal 0 None Peak area (%) >= 1 0 100 Abundance Response DigitsAfterDecimal 3 None Peak height (counts) >= 10000 0 Abundance Response DigitsAfterDecimal 0 None Peak height (%) >= 5 0 100 Abundance Response DigitsAfterDecimal 3 None Limit to largest: 100 0 Unspecified Unspecified DigitsAfterDecimal 0 None 0 0 Abundance Response DigitsAfterDecimal 2 None 5 0 Unspecified Unspecified DigitsAfterDecimal 1 None 1 1 Unspecified Unspecified DigitsAfterDecimal 0 None false Annotate fragment spectrum peaks with formulas false Generate formulas for non-fragment (unknown) ions false true true false Smoothing function: Gaussian Function width: 15 ScanNumber ScanNumber DigitsAfterDecimal 0 None Gaussian width: 5 0 Minutes AcqTime DigitsAfterDecimal 3 None Exclude masses: false Excluded m/z: Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly PSetExcludeMassSingleMzExpansionMode SymmetricMz Width (m/z): 0.5 0 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Width (ppm): 100 10 1000 Unspecified Unspecified DigitsAfterDecimal 1 None Low width (m/z): 0.3 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly High width (m/z): 0.7 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Automatically compute when chromatograms are integrated false Signal definition: Height Noise definition: PeakToPeak 1 1 9 Unspecified Unspecified DigitsAfterDecimal 1 None true Noise regions: Minutes AcqTime DigitsAfterDecimal 3 Minutes AcqTime DigitsAfterDecimal 3 PrecisionOnly Desired length: 1 0 Minutes AcqTime DigitsAfterDecimal 3 PrecisionOnly Minimum length: 0.1 0 Minutes AcqTime DigitsAfterDecimal 3 PrecisionOnly Start time: 0 0 Minutes AcqTime DigitsAfterDecimal 3 PrecisionOnly End time: 10 0 Minutes AcqTime DigitsAfterDecimal 3 PrecisionOnly Noise region width: 0.25 0 Minutes AcqTime DigitsAfterDecimal 3 PrecisionOnly 1 Type: ExtractedIon Integrate when extracted false MS level: MS Scans: AllMS Polarity: Mixed m/z of interest: Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly Scan segment: None m/z value(s): Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 209.1288 1 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly Merge multiple masses into one chromatogram false Do cycle sum false Fragmentor: 0 600 0 600 None Ionization: Unspecified Collision energy: -500 500 -500 500 None Single Mz expansion mode: SymmetricMz Single m/z width: 0.5 0 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Single ppm width: 100 1 1000 Unspecified Unspecified DigitsAfterDecimal 1 None Asymmetric Mz width low: 0.3 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Asymmetric Mz width high: 0.7 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Scan range: PrecisionOnly Extract one chrom per scan seg: false Y value in counts: true Neutral loss charge states: 1 3 Unspecified Unspecified DigitsAfterDecimal 0 1 9 1 9 None Desired MS storage Unspecified Compensation Field: -1000 1000 -1000 1000 None Dispersion Field: -1000 1000 -1000 1000 None Device name: Ordinal number: 1 1 9 Unspecified Unspecified DigitsAfterDecimal 0 None Signal name: Signal wavelength: 250 40 Nanometers Wavelength DigitsAfterDecimal 0 190 600 2 600 None Use reference: false Reference wavelength: 250 40 Nanometers Wavelength DigitsAfterDecimal 0 190 600 2 600 None Signal decsription: 2 Type: ExtractedIon Integrate when extracted false MS level: MS Scans: AllMS Polarity: Mixed m/z of interest: Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly Scan segment: None m/z value(s): Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 262.119 1 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly Merge multiple masses into one chromatogram false Do cycle sum false Fragmentor: 0 600 0 600 None Ionization: Unspecified Collision energy: -500 500 -500 500 None Single Mz expansion mode: SymmetricMz Single m/z width: 0.5 0 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Single ppm width: 100 1 1000 Unspecified Unspecified DigitsAfterDecimal 1 None Asymmetric Mz width low: 0.3 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Asymmetric Mz width high: 0.7 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Scan range: PrecisionOnly Extract one chrom per scan seg: false Y value in counts: true Neutral loss charge states: 1 3 Unspecified Unspecified DigitsAfterDecimal 0 1 9 1 9 None Desired MS storage Unspecified Compensation Field: -1000 1000 -1000 1000 None Dispersion Field: -1000 1000 -1000 1000 None Device name: Ordinal number: 1 1 9 Unspecified Unspecified DigitsAfterDecimal 0 None Signal name: Signal wavelength: 250 40 Nanometers Wavelength DigitsAfterDecimal 0 190 600 2 600 None Use reference: false Reference wavelength: 250 40 Nanometers Wavelength DigitsAfterDecimal 0 190 600 2 600 None Signal decsription: 3 Type: ExtractedIon Integrate when extracted false MS level: MS Scans: AllMS Polarity: Mixed m/z of interest: Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly Scan segment: None m/z value(s): Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 202.0435 1 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly Merge multiple masses into one chromatogram false Do cycle sum false Fragmentor: 0 600 0 600 None Ionization: Unspecified Collision energy: -500 500 -500 500 None Single Mz expansion mode: SymmetricMz Single m/z width: 0.5 0 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Single ppm width: 100 1 1000 Unspecified Unspecified DigitsAfterDecimal 1 None Asymmetric Mz width low: 0.3 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Asymmetric Mz width high: 0.7 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Scan range: PrecisionOnly Extract one chrom per scan seg: false Y value in counts: true Neutral loss charge states: 1 3 Unspecified Unspecified DigitsAfterDecimal 0 1 9 1 9 None Desired MS storage Unspecified Compensation Field: -1000 1000 -1000 1000 None Dispersion Field: -1000 1000 -1000 1000 None Device name: Ordinal number: 1 1 9 Unspecified Unspecified DigitsAfterDecimal 0 None Signal name: Signal wavelength: 250 40 Nanometers Wavelength DigitsAfterDecimal 0 190 600 2 600 None Use reference: false Reference wavelength: 250 40 Nanometers Wavelength DigitsAfterDecimal 0 190 600 2 600 None Signal decsription: 4 Type: ExtractedIon Integrate when extracted false MS level: MS Scans: AllMS Polarity: Mixed m/z of interest: Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly Scan segment: None m/z value(s): Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 230.007 1 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly Merge multiple masses into one chromatogram false Do cycle sum false Fragmentor: 0 600 0 600 None Ionization: Unspecified Collision energy: -500 500 -500 500 None Single Mz expansion mode: SymmetricMz Single m/z width: 0.5 0 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Single ppm width: 100 1 1000 Unspecified Unspecified DigitsAfterDecimal 1 None Asymmetric Mz width low: 0.3 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Asymmetric Mz width high: 0.7 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Scan range: PrecisionOnly Extract one chrom per scan seg: false Y value in counts: true Neutral loss charge states: 1 3 Unspecified Unspecified DigitsAfterDecimal 0 1 9 1 9 None Desired MS storage Unspecified Compensation Field: -1000 1000 -1000 1000 None Dispersion Field: -1000 1000 -1000 1000 None Device name: Ordinal number: 1 1 9 Unspecified Unspecified DigitsAfterDecimal 0 None Signal name: Signal wavelength: 250 40 Nanometers Wavelength DigitsAfterDecimal 0 190 600 2 600 None Use reference: false Reference wavelength: 250 40 Nanometers Wavelength DigitsAfterDecimal 0 190 600 2 600 None Signal decsription: 5 Type: ExtractedIon Integrate when extracted false MS level: MS Scans: AllMS Polarity: Mixed m/z of interest: Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly Scan segment: None m/z value(s): Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 297.056 1 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly Merge multiple masses into one chromatogram false Do cycle sum false Fragmentor: 0 600 0 600 None Ionization: Unspecified Collision energy: -500 500 -500 500 None Single Mz expansion mode: SymmetricMz Single m/z width: 0.5 0 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Single ppm width: 100 1 1000 Unspecified Unspecified DigitsAfterDecimal 1 None Asymmetric Mz width low: 0.3 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Asymmetric Mz width high: 0.7 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Scan range: PrecisionOnly Extract one chrom per scan seg: false Y value in counts: true Neutral loss charge states: 1 3 Unspecified Unspecified DigitsAfterDecimal 0 1 9 1 9 None Desired MS storage Unspecified Compensation Field: -1000 1000 -1000 1000 None Dispersion Field: -1000 1000 -1000 1000 None Device name: Ordinal number: 1 1 9 Unspecified Unspecified DigitsAfterDecimal 0 None Signal name: Signal wavelength: 250 40 Nanometers Wavelength DigitsAfterDecimal 0 190 600 2 600 None Use reference: false Reference wavelength: 250 40 Nanometers Wavelength DigitsAfterDecimal 0 190 600 2 600 None Signal decsription: 6 Type: ExtractedIon Integrate when extracted false MS level: MS Scans: AllMS Polarity: Mixed m/z of interest: Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly Scan segment: None m/z value(s): Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 229.0741 1 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly Merge multiple masses into one chromatogram false Do cycle sum false Fragmentor: 0 600 0 600 None Ionization: Unspecified Collision energy: -500 500 -500 500 None Single Mz expansion mode: SymmetricMz Single m/z width: 0.5 0 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Single ppm width: 100 1 1000 Unspecified Unspecified DigitsAfterDecimal 1 None Asymmetric Mz width low: 0.3 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Asymmetric Mz width high: 0.7 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Scan range: PrecisionOnly Extract one chrom per scan seg: false Y value in counts: true Neutral loss charge states: 1 3 Unspecified Unspecified DigitsAfterDecimal 0 1 9 1 9 None Desired MS storage Unspecified Compensation Field: -1000 1000 -1000 1000 None Dispersion Field: -1000 1000 -1000 1000 None Device name: Ordinal number: 1 1 9 Unspecified Unspecified DigitsAfterDecimal 0 None Signal name: Signal wavelength: 250 40 Nanometers Wavelength DigitsAfterDecimal 0 190 600 2 600 None Use reference: false Reference wavelength: 250 40 Nanometers Wavelength DigitsAfterDecimal 0 190 600 2 600 None Signal decsription: 7 Type: ExtractedIon Integrate when extracted false MS level: MS Scans: AllMS Polarity: Mixed m/z of interest: Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly Scan segment: None m/z value(s): Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 222.1128 1 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly Merge multiple masses into one chromatogram false Do cycle sum false Fragmentor: 0 600 0 600 None Ionization: Unspecified Collision energy: -500 500 -500 500 None Single Mz expansion mode: SymmetricMz Single m/z width: 0.5 0 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Single ppm width: 100 1 1000 Unspecified Unspecified DigitsAfterDecimal 1 None Asymmetric Mz width low: 0.3 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Asymmetric Mz width high: 0.7 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Scan range: PrecisionOnly Extract one chrom per scan seg: false Y value in counts: true Neutral loss charge states: 1 3 Unspecified Unspecified DigitsAfterDecimal 0 1 9 1 9 None Desired MS storage Unspecified Compensation Field: -1000 1000 -1000 1000 None Dispersion Field: -1000 1000 -1000 1000 None Device name: Ordinal number: 1 1 9 Unspecified Unspecified DigitsAfterDecimal 0 None Signal name: Signal wavelength: 250 40 Nanometers Wavelength DigitsAfterDecimal 0 190 600 2 600 None Use reference: false Reference wavelength: 250 40 Nanometers Wavelength DigitsAfterDecimal 0 190 600 2 600 None Signal decsription: 8 Type: ExtractedIon Integrate when extracted false MS level: MS Scans: AllMS Polarity: Mixed m/z of interest: Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly Scan segment: None m/z value(s): Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 216.1016 1 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly Merge multiple masses into one chromatogram false Do cycle sum false Fragmentor: 0 600 0 600 None Ionization: Unspecified Collision energy: -500 500 -500 500 None Single Mz expansion mode: SymmetricMz Single m/z width: 0.5 0 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Single ppm width: 100 1 1000 Unspecified Unspecified DigitsAfterDecimal 1 None Asymmetric Mz width low: 0.3 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Asymmetric Mz width high: 0.7 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Scan range: PrecisionOnly Extract one chrom per scan seg: false Y value in counts: true Neutral loss charge states: 1 3 Unspecified Unspecified DigitsAfterDecimal 0 1 9 1 9 None Desired MS storage Unspecified Compensation Field: -1000 1000 -1000 1000 None Dispersion Field: -1000 1000 -1000 1000 None Device name: Ordinal number: 1 1 9 Unspecified Unspecified DigitsAfterDecimal 0 None Signal name: Signal wavelength: 250 40 Nanometers Wavelength DigitsAfterDecimal 0 190 600 2 600 None Use reference: false Reference wavelength: 250 40 Nanometers Wavelength DigitsAfterDecimal 0 190 600 2 600 None Signal decsription: 9 Type: ExtractedIon Integrate when extracted false MS level: MS Scans: AllMS Polarity: Mixed m/z of interest: Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly Scan segment: None m/z value(s): Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 418.0139 1 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly Merge multiple masses into one chromatogram false Do cycle sum false Fragmentor: 0 600 0 600 None Ionization: Unspecified Collision energy: -500 500 -500 500 None Single Mz expansion mode: SymmetricMz Single m/z width: 0.5 0 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Single ppm width: 100 1 1000 Unspecified Unspecified DigitsAfterDecimal 1 None Asymmetric Mz width low: 0.3 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Asymmetric Mz width high: 0.7 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Scan range: PrecisionOnly Extract one chrom per scan seg: false Y value in counts: true Neutral loss charge states: 1 3 Unspecified Unspecified DigitsAfterDecimal 0 1 9 1 9 None Desired MS storage Unspecified Compensation Field: -1000 1000 -1000 1000 None Dispersion Field: -1000 1000 -1000 1000 None Device name: Ordinal number: 1 1 9 Unspecified Unspecified DigitsAfterDecimal 0 None Signal name: Signal wavelength: 250 40 Nanometers Wavelength DigitsAfterDecimal 0 190 600 2 600 None Use reference: false Reference wavelength: 250 40 Nanometers Wavelength DigitsAfterDecimal 0 190 600 2 600 None Signal decsription: 10 Type: ExtractedIon Integrate when extracted false MS level: MS Scans: AllMS Polarity: Mixed m/z of interest: Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly Scan segment: None m/z value(s): Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 278.1057 1 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly Merge multiple masses into one chromatogram false Do cycle sum false Fragmentor: 0 600 0 600 None Ionization: Unspecified Collision energy: -500 500 -500 500 None Single Mz expansion mode: SymmetricMz Single m/z width: 0.5 0 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Single ppm width: 100 1 1000 Unspecified Unspecified DigitsAfterDecimal 1 None Asymmetric Mz width low: 0.3 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Asymmetric Mz width high: 0.7 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Scan range: PrecisionOnly Extract one chrom per scan seg: false Y value in counts: true Neutral loss charge states: 1 3 Unspecified Unspecified DigitsAfterDecimal 0 1 9 1 9 None Desired MS storage Unspecified Compensation Field: -1000 1000 -1000 1000 None Dispersion Field: -1000 1000 -1000 1000 None Device name: Ordinal number: 1 1 9 Unspecified Unspecified DigitsAfterDecimal 0 None Signal name: Signal wavelength: 250 40 Nanometers Wavelength DigitsAfterDecimal 0 190 600 2 600 None Use reference: false Reference wavelength: 250 40 Nanometers Wavelength DigitsAfterDecimal 0 190 600 2 600 None Signal decsription: 11 Type: ExtractedIon Integrate when extracted false MS level: MS Scans: AllMS Polarity: Mixed m/z of interest: Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly Scan segment: None m/z value(s): Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 188.1098 1 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly Merge multiple masses into one chromatogram false Do cycle sum false Fragmentor: 0 600 0 600 None Ionization: Unspecified Collision energy: -500 500 -500 500 None Single Mz expansion mode: SymmetricMz Single m/z width: 0.5 0 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Single ppm width: 100 1 1000 Unspecified Unspecified DigitsAfterDecimal 1 None Asymmetric Mz width low: 0.3 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Asymmetric Mz width high: 0.7 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Scan range: PrecisionOnly Extract one chrom per scan seg: false Y value in counts: true Neutral loss charge states: 1 3 Unspecified Unspecified DigitsAfterDecimal 0 1 9 1 9 None Desired MS storage Unspecified Compensation Field: -1000 1000 -1000 1000 None Dispersion Field: -1000 1000 -1000 1000 None Device name: Ordinal number: 1 1 9 Unspecified Unspecified DigitsAfterDecimal 0 None Signal name: Signal wavelength: 250 40 Nanometers Wavelength DigitsAfterDecimal 0 190 600 2 600 None Use reference: false Reference wavelength: 250 40 Nanometers Wavelength DigitsAfterDecimal 0 190 600 2 600 None Signal decsription: 12 Type: ExtractedIon Integrate when extracted false MS level: MS Scans: AllMS Polarity: Mixed m/z of interest: Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly Scan segment: None m/z value(s): Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 331.0435 1 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly Merge multiple masses into one chromatogram false Do cycle sum false Fragmentor: 0 600 0 600 None Ionization: Unspecified Collision energy: -500 500 -500 500 None Single Mz expansion mode: SymmetricMz Single m/z width: 0.5 0 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Single ppm width: 100 1 1000 Unspecified Unspecified DigitsAfterDecimal 1 None Asymmetric Mz width low: 0.3 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Asymmetric Mz width high: 0.7 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Scan range: PrecisionOnly Extract one chrom per scan seg: false Y value in counts: true Neutral loss charge states: 1 3 Unspecified Unspecified DigitsAfterDecimal 0 1 9 1 9 None Desired MS storage Unspecified Compensation Field: -1000 1000 -1000 1000 None Dispersion Field: -1000 1000 -1000 1000 None Device name: Ordinal number: 1 1 9 Unspecified Unspecified DigitsAfterDecimal 0 None Signal name: Signal wavelength: 250 40 Nanometers Wavelength DigitsAfterDecimal 0 190 600 2 600 None Use reference: false Reference wavelength: 250 40 Nanometers Wavelength DigitsAfterDecimal 0 190 600 2 600 None Signal decsription: 13 Type: ExtractedIon Integrate when extracted false MS level: MS Scans: AllMS Polarity: Mixed m/z of interest: Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly Scan segment: None m/z value(s): Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 388.1061 1 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly Merge multiple masses into one chromatogram false Do cycle sum false Fragmentor: 0 600 0 600 None Ionization: Unspecified Collision energy: -500 500 -500 500 None Single Mz expansion mode: SymmetricMz Single m/z width: 0.5 0 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Single ppm width: 100 1 1000 Unspecified Unspecified DigitsAfterDecimal 1 None Asymmetric Mz width low: 0.3 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Asymmetric Mz width high: 0.7 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Scan range: PrecisionOnly Extract one chrom per scan seg: false Y value in counts: true Neutral loss charge states: 1 3 Unspecified Unspecified DigitsAfterDecimal 0 1 9 1 9 None Desired MS storage Unspecified Compensation Field: -1000 1000 -1000 1000 None Dispersion Field: -1000 1000 -1000 1000 None Device name: Ordinal number: 1 1 9 Unspecified Unspecified DigitsAfterDecimal 0 None Signal name: Signal wavelength: 250 40 Nanometers Wavelength DigitsAfterDecimal 0 190 600 2 600 None Use reference: false Reference wavelength: 250 40 Nanometers Wavelength DigitsAfterDecimal 0 190 600 2 600 None Signal decsription: 14 Type: ExtractedIon Integrate when extracted false MS level: MS Scans: AllMS Polarity: Mixed m/z of interest: Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly Scan segment: None m/z value(s): Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 305.109 1 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly Merge multiple masses into one chromatogram false Do cycle sum false Fragmentor: 0 600 0 600 None Ionization: Unspecified Collision energy: -500 500 -500 500 None Single Mz expansion mode: SymmetricMz Single m/z width: 0.5 0 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Single ppm width: 100 1 1000 Unspecified Unspecified DigitsAfterDecimal 1 None Asymmetric Mz width low: 0.3 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Asymmetric Mz width high: 0.7 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Scan range: PrecisionOnly Extract one chrom per scan seg: false Y value in counts: true Neutral loss charge states: 1 3 Unspecified Unspecified DigitsAfterDecimal 0 1 9 1 9 None Desired MS storage Unspecified Compensation Field: -1000 1000 -1000 1000 None Dispersion Field: -1000 1000 -1000 1000 None Device name: Ordinal number: 1 1 9 Unspecified Unspecified DigitsAfterDecimal 0 None Signal name: Signal wavelength: 250 40 Nanometers Wavelength DigitsAfterDecimal 0 190 600 2 600 None Use reference: false Reference wavelength: 250 40 Nanometers Wavelength DigitsAfterDecimal 0 190 600 2 600 None Signal decsription: Quadrupole 1 0 0 False Quadrupole 1 0 0 False Minutes AcqTime DigitsAfterDecimal 3 PrecisionOnly MS background source: None Average scans above false Average scans above (%): 10 0 100 Abundance Response DigitsAfterDecimal 0 None Exclude saturated TOF spectra true TOF saturation limit (%): 40 10 100 Abundance Response DigitsAfterDecimal 1 None Restrict saturation m/z range: false Check for saturation in: Thompsons MassToCharge DigitsAfterDecimal 4 100 2000 Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 100 2000 Thompsons MassToCharge DigitsAfterDecimal 4 0 100000 PrecisionOnly MS background source: PeakStartAndEnd MS/MS background source: None UV background source: PeakStartAndEnd Time range: 0 0 Minutes AcqTime DigitsAfterDecimal 3 PrecisionOnly Also evaluate with no background false Never return an empty spectrum true Tof saturation mz range option ChromatogramRange true MS Baseline Chunk Size 4 4 Unspecified Unspecified DigitsAfterDecimal 0 None Baseline Minimum Chunks 10 1 Unspecified Unspecified DigitsAfterDecimal 0 None Baseline Fraction Skip 0.02 0.01 0.999 Unspecified Unspecified DigitsAfterDecimal 3 None Baseline Fraction Use 0.05 0.01 0.999 Unspecified Unspecified DigitsAfterDecimal 3 None Tolerance 0.25 0.05 5000 Unspecified Unspecified DigitsAfterDecimal 3 None Detect Maximum Spike Width 2 0 10 Unspecified Unspecified DigitsAfterDecimal 0 None Detect Required Valley 0.7 0 1 Unspecified Unspecified DigitsAfterDecimal 2 None Restrict X-Range false X-Range 0 0 Thompsons MassToCharge DigitsAfterDecimal 4 0 20000 0 20000 PrecisionOnly Fast Baseline true PeakHeightAbsThreshold, PeakHeightPctThreshold Peak height (counts) >= 100 0 Abundance Response DigitsAfterDecimal 0 None Peak height (%) >= 5 0 100 Abundance Response DigitsAfterDecimal 3 None Limit to the largest: 100 0 Unspecified Unspecified DigitsAfterDecimal 0 None 0 0 Abundance Response DigitsAfterDecimal 2 None 5 0 Mixed Mixed DigitsAfterDecimal 1 None 10000 0 Abundance Response DigitsAfterDecimal 0 None 5 0 100 Abundance Response DigitsAfterDecimal 3 None 1 1 Unspecified Unspecified DigitsAfterDecimal 0 None true true true Annotate fragment spectrum peaks with formulas false Generate formulas for non-fragment (unknown) ions false true false false Isotope spacing tolerance(m/z) 0.0025 0 0.5 Thompsons MassToCharge DigitsAfterDecimal 4 None Isotope spacing tolerance(ppm) 7 0 200 Unspecified Unspecified DigitsAfterDecimal 1 None Remove higher isotopes false Recompute when peak list changes true Maximum charge state 2 1 99 Unspecified Unspecified DigitsAfterDecimal 0 None Minimum charge state 0 0 99 Unspecified Unspecified DigitsAfterDecimal 0 None Limit assigned charge states to a maximum of: true Isotope model CommonOrganicMolecules Treat ions with unassigned charge as singly-charged false Sum abundance true Average scans above false Average scans above (%): 10 0 100 Abundance Response DigitsAfterDecimal 0 None Exclude saturated TOF spectra true TOF saturation limit (%): 40 10 100 Abundance Response DigitsAfterDecimal 1 None Restrict saturation m/z range: false Check for saturation in: Thompsons MassToCharge DigitsAfterDecimal 4 100 2000 Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 100 2000 Thompsons MassToCharge DigitsAfterDecimal 4 0 100000 PrecisionOnly MS background source: PeakStartAndEnd MS/MS background source: None UV background source: PeakStartAndEnd Time range: 0 0 Minutes AcqTime DigitsAfterDecimal 3 PrecisionOnly Also evaluate with no background false Never return an empty spectrum true Tof saturation mz range option ChromatogramRange true MSMS Baseline Chunk Size 4 4 Unspecified Unspecified DigitsAfterDecimal 0 None Baseline Minimum Chunks 10 1 Unspecified Unspecified DigitsAfterDecimal 0 None Baseline Fraction Skip 0.02 0.01 0.999 Unspecified Unspecified DigitsAfterDecimal 3 None Baseline Fraction Use 0.05 0.01 0.999 Unspecified Unspecified DigitsAfterDecimal 3 None Tolerance 0.25 0.05 5000 Unspecified Unspecified DigitsAfterDecimal 3 None Detect Maximum Spike Width 2 0 10 Unspecified Unspecified DigitsAfterDecimal 0 None Detect Required Valley 0.4 0 1 Unspecified Unspecified DigitsAfterDecimal 2 None Restrict X-Range false X-Range 0 0 Thompsons MassToCharge DigitsAfterDecimal 4 0 20000 0 20000 PrecisionOnly Fast Baseline true PeakHeightAbsThreshold, PeakHeightPctThreshold Peak height (counts) >= 10 0 Abundance Response DigitsAfterDecimal 0 None Peak height (%) >= 5 0 100 Abundance Response DigitsAfterDecimal 3 None Limit to the largest: 100 0 Unspecified Unspecified DigitsAfterDecimal 0 None 0 0 Abundance Response DigitsAfterDecimal 2 None 5 0 Mixed Mixed DigitsAfterDecimal 1 None 10000 0 Abundance Response DigitsAfterDecimal 0 None 5 0 100 Abundance Response DigitsAfterDecimal 3 None 1 1 Unspecified Unspecified DigitsAfterDecimal 0 None true true true Annotate fragment spectrum peaks with formulas false Generate formulas for non-fragment (unknown) ions false true false false Isotope spacing tolerance(m/z) 0.0025 0 0.5 Thompsons MassToCharge DigitsAfterDecimal 4 None Isotope spacing tolerance(ppm) 7 0 200 Unspecified Unspecified DigitsAfterDecimal 1 None Remove higher isotopes false Recompute when peak list changes true Maximum charge state 2 1 99 Unspecified Unspecified DigitsAfterDecimal 0 None Minimum charge state 0 0 99 Unspecified Unspecified DigitsAfterDecimal 0 None Limit assigned charge states to a maximum of: true Isotope model CommonOrganicMolecules Treat ions with unassigned charge as singly-charged false Sum abundance true PeakHeightAbsThreshold, PeakHeightPctThreshold Peak height (counts) >= 100 0 Abundance Response DigitsAfterDecimal 0 None Peak height (%) >= 0.1 0 100 Abundance Response DigitsAfterDecimal 3 None Limit to the largest: 100 0 Unspecified Unspecified DigitsAfterDecimal 0 None 0 0 Abundance Response DigitsAfterDecimal 2 None 5 0 Mixed Mixed DigitsAfterDecimal 1 None 10000 0 Abundance Response DigitsAfterDecimal 0 None 5 0 100 Abundance Response DigitsAfterDecimal 3 None 1 1 Unspecified Unspecified DigitsAfterDecimal 0 None true true true Annotate fragment spectrum peaks with formulas false Generate formulas for non-fragment (unknown) ions false true false false Positive ions: +H Negative ions: -H Isotope spacing tolerance(m/z) 0.0025 0 0.5 Thompsons MassToCharge DigitsAfterDecimal 4 None Isotope spacing tolerance(ppm) 7 0 200 Unspecified Unspecified DigitsAfterDecimal 1 None Remove higher isotopes false Recompute when peak list changes true Maximum charge state 2 1 99 Unspecified Unspecified DigitsAfterDecimal 0 None Minimum charge state 0 0 99 Unspecified Unspecified DigitsAfterDecimal 0 None Limit assigned charge states to a maximum of: true Isotope model Peptides Treat ions with unassigned charge as singly-charged true Sum abundance true Show user chromatograms true With peak tables true With signal to noise results false Show user spectra true Show library spectrum false Show difference spectrum false With peak tables true Show compound chromatograms true With peak tables false Show compound spectra true With peak tables true Show compound table true Sort compound table in increasing order: true Show user chromatogram(s) false Show compound chromatogram(s) false Overlay compound chromatogram(s) false Show MS spectrum false Show library spectrum false Show difference spectrum false Show MS peak table true Show predicted isotope match table false Show MS spectrum (zoomed in on special peaks) false Overlay predicted isotope distribution true Show MS/MS spectrum false Show MS/MS peak table false Left zoom limit 30 0 1.79769313486232E+308 Thompsons MassToCharge DigitsAfterDecimal 1 None Right zoom limit 30 0 1.79769313486232E+308 Thompsons MassToCharge DigitsAfterDecimal 1 None Sort compound table by RetentionTime Exclude details for unidentified compounds true Template Folder D:\MassHunter\Report Templates\Qual\B.06.00\en-US\Letter Analysis report template : AnalysisReport Compound report template : CompoundReport Plot window report template : Graphic RawData Table window report template : Table MS Tune report template : MS Tune Qualitative method report template : QualitativeMethodReport Acquisition method report template : AcqMethodReport Page orientation Portrait Chromatogram peaks true Max Chrom Peaks 10 1 Unspecified Unspecified DigitsAfterDecimal 0 None Mass spectrum peaks true Max Spectrum Peaks 10 1 Unspecified Unspecified DigitsAfterDecimal 0 None Hide empty columns in tables true Show sample information true User chromatograms false Compound chromatograms false MS spectra false MS/MS spectra false Deconvoluted spectra false UV spectra false User chromatograms 2 10 Minutes AcqTime DigitsAfterDecimal 3 0 999 0 999 PrecisionOnly Compound chromatograms 0 999 0 999 PrecisionOnly MS spectra 100 1200 Thompsons MassToCharge DigitsAfterDecimal 4 0 20000 0 20000 PrecisionOnly MS/MS spectra 0 20000 0 20000 PrecisionOnly Deconvoluted spectra 15000 35000 Daltons DeconvolutedMass DigitsAfterDecimal 2 0 750000 0 750000 PrecisionOnly UV spectra 240 330 Nanometers Wavelength DigitsAfterDecimal 0 190 1000 190 1000 PrecisionOnly Limit identification hits true 10 1 Unspecified Unspecified DigitsAfterDecimal 0 None Extraction Mode PeakElseProfile Chrom Extraction Mode PeakElseProfile Retention time window: 0.25 0 2 Minutes AcqTime DigitsAfterDecimal 3 PrecisionOnly Positive MS/MS TIC threshold: 1000 0 Abundance Response DigitsAfterDecimal 0 None Negative MS/MS TIC threshold: 1000 0 Abundance Response DigitsAfterDecimal 0 None Mass match tolerance: 0.05 0.001 1 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Limit to the largest compounds: false Maximum number of compounds: 50 1 Unspecified Unspecified DigitsAfterDecimal 0 None Omit persistent background compounds > 5 1 Unspecified Unspecified DigitsAfterDecimal 0 None Extract ECC: true Extract EIC: true EIC single m/z expansion: 75 50 Thompsons MassToCharge DigitsAfterDecimal 3 None 0.5 Minutes AcqTime DigitsAfterDecimal 3 PrecisionOnly true Extract MS: false Extract MS: false MS background subtraction: None Except when the TIC > 100000 0 100000 Unspecified Unspecified DigitsAfterDecimal 1 None Filter results by fragments false Fragment mass: 0 Unspecified Unspecified DigitsAfterDecimal 2 None Neutral loss: 0 Unspecified Unspecified DigitsAfterDecimal 2 None Mass filter FragmentMass Width (m/z): 0.5 0 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Width (ppm): 100 10 1000 Unspecified Unspecified DigitsAfterDecimal 1 None Low width (m/z): 0.3 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly High width (m/z): 0.7 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Single m/z expansion: SymmetricMz Match all the specified fragments false Extract separate MS/MS spectrum per collision energy true Delete previous compounds true Highlight all compounds false FindCompounds false false Maximum chromatogram peak width 0.25 0 Unspecified Unspecified DigitsAfterDecimal 2 None Limit to the largest compounds: false Maximum number of compounds: 50 1 Unspecified Unspecified DigitsAfterDecimal 0 None Extract MS/MS chromatogram true Extract MS/MS spectrum true Extract MS spectrum false Extract separate MS/MS spectrum per collision energy true Generate library spectra false MaximumCount, PeakAreaPctThreshold Peak area (counts) >= 10000 0 Abundance Response DigitsAfterDecimal 0 None Peak area (%) >= 5 0 100 Abundance Response DigitsAfterDecimal 3 None Peak height (counts) >= 10000 0 Abundance Response DigitsAfterDecimal 0 None Peak height (%) >= 5 0 100 Abundance Response DigitsAfterDecimal 3 None Limit to largest: 10 0 Unspecified Unspecified DigitsAfterDecimal 0 None 0 0 Abundance Response DigitsAfterDecimal 2 None 5 0 Unspecified Unspecified DigitsAfterDecimal 1 None 1 1 Unspecified Unspecified DigitsAfterDecimal 0 None false Annotate fragment spectrum peaks with formulas false Generate formulas for non-fragment (unknown) ions false true true false Restrict retention times: false Retention time range: 0 0 PrecisionOnly Restrict m/z range: false m/z range: 0 0 PrecisionOnly PeakHeightAbsThreshold Use peaks with SNR >= 5 0 Unspecified Unspecified DigitsAfterDecimal 1 None Use peaks with height >= 1000 0 Abundance Response DigitsAfterDecimal 0 None Positive ions: true 1 -1 1 H true 1 -1 1 Na true 1 -1 1 K true 1 -1 1 NH4 true 1 -1 1 H true 1 -1 1 Na false 1 -1 1 K false 1 -1 1 NH4 Negative ions: true 1 1 -1 H true 1 1 1 Cl false 1 1 1 Br false 1 1 1 HCOO false 1 1 1 CH3COO false 1 1 1 CF3COO true 1 1 -1 H true 1 1 1 Cl false 1 1 1 Br false 1 1 1 HCOO false 1 1 1 CH3COO false 1 1 1 CF3COO Salt dominated positive ions: false Maximum charge state to assign 4 1 10 Unspecified Unspecified DigitsAfterDecimal 0 None Assume peptidic isotope distribution: false Maximum peaks per spectrum 500 1 Unspecified Unspecified DigitsAfterDecimal 0 None Include representative raw spectrum for each compound true Background None Assume unidentified ions are radical ions false Target data type SmallMolecules Neutral Species Definitions false 1 0 0 H2O false 1 0 0 H3PO4 false 1 0 0 H2O false 1 0 0 H3PO4 Include representative raw spectrum for each compound true Extract ECC false Extract MFE spectrum false Clip extracted raw spectrum: false Single Mz Expansion Mode AsymmetricMz SingleMzWidth 10 1 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly SingleMzWidth 5 1 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly AsymWidthHigh 10 1 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Typical RT peak width false min 0.2 0 Minutes AcqTime DigitsAfterDecimal 3 PrecisionOnly Smoothing true times peak width 0.2 0 Unspecified Unspecified DigitsAfterDecimal 3 None Smoothing true length 50 0 Unspecified Unspecified DigitsAfterDecimal 3 None Remove spikes false max spike width 0.25 0 Unspecified Unspecified DigitsAfterDecimal 3 None Smooth peaks true times peak width 1 0 Unspecified Unspecified DigitsAfterDecimal 3 None Remove wide peaks false min peak width 10 0 Unspecified Unspecified DigitsAfterDecimal 3 None Display only the largest false 100 0 Unspecified Unspecified DigitsAfterDecimal 0 None Prefer profile for raw spectra, if available false Extract MS/MS Spectrum false Average MSMSSpectrum per CE false Single m\z Expansion mode AsymmetricMz Tolerance 20 0 Unspecified Unspecified DigitsAfterDecimal 2 None Tolerance 0.05 0 Unspecified Unspecified DigitsAfterDecimal 2 None Tolerance Unit ITEM_PPM Deisotope MS/MS spectrum true Restrict RTspan of EIC true Minimum RT span (minutes) 2 1 Unspecified Unspecified DigitsAfterDecimal 2 None Desired RTspan (+/- Width * this) 10 1 Unspecified Unspecified DigitsAfterDecimal 2 None Abundance filter type Unspecified Peak height (%) >= 2.5 0 100 Abundance Response DigitsAfterDecimal 3 None Peak height (counts) >= 5000 0 Unspecified Unspecified DigitsAfterDecimal 0 None Maximum number of compounds: 100 1 2147483647 Unspecified Unspecified DigitsAfterDecimal 0 None Restrict retention times: false Retention time: Minutes AcqTime DigitsAfterDecimal 3 Minutes AcqTime DigitsAfterDecimal 3 0 0 PrecisionOnly Restrict charge states: false Charge states: 1 10 1 10 None Restrict to neutral losses: false Neutral loss mass: 0 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Compounds without isotopes Exclude Compounds without masses Exclude Filter mass list false Mass(es) to include/exclude Daltons Mass DigitsAfterDecimal 4 Daltons Mass DigitsAfterDecimal 4 0 0 PrecisionOnly 5 0 1000 PartsPerMillion Mass DigitsAfterDecimal 3 None Filter optionis for mass(es) Include Database true Quality score 80 0 100 Unspecified Unspecified DigitsAfterDecimal 2 None Filter results on mass defects false Expected defect is constant: true Expected defect: 0 -10.5 10.5 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Defect slope: 0 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Defect slope denominator: 100 1 1000 Unspecified Unspecified DigitsAfterDecimal 2 None Tolerance type: ConstantSymmetric Tolerance: 0.01 0 0.5 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Tolerance (negative); 0.01 0 0.5 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Tolerance slope: 0 0 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Tolerance slope denominator: 100 1 1000 Unspecified Unspecified DigitsAfterDecimal 2 None true true true Delete previous compounds true Highlight all compounds false FindCompounds false false Database Path D:\MassHunter\PCDL\Pesticides_Std.cdb Do sample purity calculations false Compound EIC false Compound spectrum false Formula source to confirm Database Specified formulas Use Absolute Mass Tolerance false Retention Time Tolerance 0.35 0 2 Minutes AcqTime DigitsAfterDecimal 3 PrecisionOnly Single Mz expansion mode: SymmetricPpm Single m/z width: 0.5 0 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Asymmetric Mz width low: 0.3 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Asymmetric Mz width high: 0.7 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Absolute Mass Tolerance 5 0 1000 MilliThompsons MzDifference DigitsAfterDecimal 2 None Expected retention time 1 0 Minutes AcqTime DigitsAfterDecimal 2 None Search Fields Mass Relative Mass Tolerance 5 0 1000 PartsPerMillion RelativeDifference DigitsAfterDecimal 2 None Single ppm width: 100 10 1000 Unspecified Unspecified DigitsAfterDecimal 1 None Polarity: Mixed Only generate compounds for matched formulas false Max hits per formula: 1 1 Unspecified Unspecified DigitsAfterDecimal 0 None Minimum abundance: 10 0 100 Unspecified Unspecified DigitsAfterDecimal 2 None Limit EIC extraction range true Minimum cluster coverage for EIC: 75 0 100 Unspecified Unspecified DigitsAfterDecimal 2 None Maximum cluster ions for EIC: 5 1 20 Unspecified Unspecified DigitsAfterDecimal 0 None CefPath Extract EIC true Extract raw spectrum false Extract cleaned spectrum true Automatically increase for isomeric compounds true Do not match if score is true Reject score threshold 70 0 100 Unspecified Unspecified DigitsAfterDecimal 2 None Do not match if the (unobserved) second ion’s abundance is expected to be true Reject second ion threshold 200 0 Unspecified Unspecified DigitsAfterDecimal 2 None Prefer profile for raw spectra, if available true Clip extracted raw spectra true Extracted spectrum expansion mode SymmetricMz Asymmetric low width 5 1 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Asymmetric high width 10 1 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Single width 5 1 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Extract MS/MS spectrum true Average MS/MS spectrum for all CE's false Precursor tolerance 20 0 Unspecified Unspecified DigitsAfterDecimal 2 None Precursor tolerance 0.05 0 Unspecified Unspecified DigitsAfterDecimal 2 None Tolerance unit ITEM_PPM Deisotope MS/MS spectrum true Include structure false Warn if score is true Warn if the (unobserved) second ion’s abundance is expected to be true Warn score threshold 75 0 100 Unspecified Unspecified DigitsAfterDecimal 2 None Warn single ion threshold 50 0 Unspecified Unspecified DigitsAfterDecimal 2 None Smooth EIC before integration false Database Path D:\MassHunter\PCDL\Pesticides_Std.cdb Positive ions: false 1 -1 0 true 1 -1 1 H true 1 -1 1 Na false 1 -1 1 K false 1 -1 1 NH4 false 1 -1 0 true 1 -1 1 H true 1 -1 1 Na false 1 -1 1 K false 1 -1 1 NH4 Positive Neutral Loss: false 1 0 0 H2O false 1 0 0 H2O Positive Charge State Range 1 2 Unspecified Unspecified DigitsAfterDecimal 0 1 10 1 10 None Positive Dimer false Positive Trimer false Negative ions: false 1 1 0 true 1 1 -1 H false 1 1 1 Cl false 1 1 1 Br true 1 1 1 HCOO true 1 1 1 CH3COO false 1 1 1 CF3COO false 1 1 0 true 1 1 -1 H false 1 1 1 Cl false 1 1 1 Br true 1 1 1 HCOO true 1 1 1 CH3COO false 1 1 1 CF3COO Negative Neutral Loss: false 1 0 0 H2O false 1 0 0 H2O Negative Charge State Range 1 2 Unspecified Unspecified DigitsAfterDecimal 0 1 10 1 10 None Negative Dimer false Negative Trimer false MS mass coeff (mDa) 2 0 100 MilliDaltons Mass DigitsAfterDecimal 1 None MS mass coeff (ppm) 5.6 0 100 PartsPerMillion Mass DigitsAfterDecimal 1 None MS/MS mass coeff (MDa) 5 0 100 MilliDaltons Mass DigitsAfterDecimal 1 None MS/MS mass coeff (ppm) 7.5 0 100 PartsPerMillion Mass DigitsAfterDecimal 1 None MS isosope abundance 7.5 0 100 Percent RelativeDifference DigitsAfterDecimal 1 None Retention time: 0.115 0 10 Unspecified Unspecified DigitsAfterDecimal 3 None Isotope abundance score 60 0 100 Unspecified Unspecified DigitsAfterDecimal 2 None Mass score 100 0 100 Unspecified Unspecified DigitsAfterDecimal 2 None Isotope spacing score 50 0 100 Unspecified Unspecified DigitsAfterDecimal 2 None Retention time score 100 0 100 Unspecified Unspecified DigitsAfterDecimal 2 None MS/MS score weight 50 0 100 Unspecified Unspecified DigitsAfterDecimal 2 None MaximumCount, PeakAreaAbsThreshold Peak area (counts) >= 10000 0 Abundance Response DigitsAfterDecimal 0 None Peak area (%) >= 5 0 100 Abundance Response DigitsAfterDecimal 3 None Peak height (counts) >= 10000 0 Abundance Response DigitsAfterDecimal 0 None Peak height (%) >= 5 0 100 Abundance Response DigitsAfterDecimal 3 None Limit to largest: 5 0 Unspecified Unspecified DigitsAfterDecimal 0 None 0 0 Abundance Response DigitsAfterDecimal 2 None 5 0 Unspecified Unspecified DigitsAfterDecimal 1 None 1 1 Unspecified Unspecified DigitsAfterDecimal 0 None false Annotate fragment spectrum peaks with formulas false Generate formulas for non-fragment (unknown) ions false true true false Compute sample purity false Algorithm to use TIC Use peak areas true RT acceptance window: +/- 0.05 0 0.5 Minutes AcqTime DigitsAfterDecimal 3 PrecisionOnly Single algorithm true TIC Minimum of all selected algorithms false Average of all selected algorithms false Maximum of all selected algorithms false Minimum acceptable purity 75 0 100 Percent Unspecified DigitsAfterDecimal 0 None Search Fields Mass Use Absolute Mass Tolerance false Absolute Mass Tolerance 5 0 1000 MilliThompsons MzDifference DigitsAfterDecimal 2 None Relative Mass Tolerance 5 0 1000 PartsPerMillion RelativeDifference DigitsAfterDecimal 2 None Retention Time Tolerance 0.1 0 100 Minutes AcqTime DigitsAfterDecimal 3 PrecisionOnly Limit to the best true Maximum Hits 10 1 100 Unspecified Unspecified DigitsAfterDecimal 0 None Consider isotope abundance ratios when ranking hits false Maximum number of peaks to search when peaks are not specified graphically: 5 1 10 Unspecified Unspecified DigitsAfterDecimal 0 None Search "neutral" database entries for masses from simple ions false Spectral library path: Limit to the best true Maximum hits per compound: 10 0 100 Unspecified Unspecified DigitsAfterDecimal 0 None Search criteria FragmentationVoltage, Polarity, ScanType, InstrumentType, PrecursorIon Search method Both 2 0 Volts Voltage DigitsAfterDecimal 2 PrecisionOnly Precursor Ion m/z ppm 10 0 1000 Unspecified Unspecified DigitsAfterDecimal 1 None Precursor Ion m/z mDa 2 0 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Product ion m/z ppm 20 0 1000 Unspecified Unspecified DigitsAfterDecimal 1 None Product ion m/z mDa 2 0 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Minimum forward match score: 25 0 100 Unspecified MatchScore DigitsAfterDecimal 2 None Minimum reverse match score: 50 0 100 Unspecified MatchScore DigitsAfterDecimal 2 None Spectral library path: D:\MassHunter\PCDL\Pesticides_Std.cdb Apply to search database path false PeakHeightAbsThreshold, PeakHeightPctThreshold Peak height (counts) >= 5 0 Abundance Response DigitsAfterDecimal 0 None Peak height (%) >= 1 0 100 Abundance Response DigitsAfterDecimal 3 None Limit to the largest: 100 0 Unspecified Unspecified DigitsAfterDecimal 0 None 0 0 Abundance Response DigitsAfterDecimal 2 None 5 0 Mixed Mixed DigitsAfterDecimal 1 None 10000 0 Abundance Response DigitsAfterDecimal 0 None 5 0 100 Abundance Response DigitsAfterDecimal 3 None 1 1 Unspecified Unspecified DigitsAfterDecimal 0 None true true true Annotate fragment spectrum peaks with formulas false Generate formulas for non-fragment (unknown) ions false true false false 61.064791 2 10000 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly 1 -100 100 Unspecified Unspecified DigitsAfterDecimal 0 None MS nitrogen rule: EvenElectron Positive ions: H Negative ions: H Element Limits C 3 60 H 0 120 O 0 30 N 0 30 S 0 5 Cl 0 3 C 3 60 H 0 120 O 0 30 N 0 30 S 0 5 Cl 0 5 Maximum neutral mass for which formulas should be calculated: 750 100 5000 Daltons Mass DigitsAfterDecimal 4 PrecisionOnly Max. mass error: 7.5 0 1000 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly m/z error units: PartsPerMillion Minimum score 35 0 100 Unspecified Unspecified DigitsAfterDecimal 3 None Minimum overall score per charge carrier true Maximum MS mass error false Require DBE from false 0 -0.5 99 Unspecified Unspecified DigitsAfterDecimal 1 None 50 -0.5 99 Unspecified Unspecified DigitsAfterDecimal 1 None Maximum number of hits per charge carrier false Maximum number of hits per charge carrier 5 1 100 Unspecified Unspecified DigitsAfterDecimal 0 None MS Mass Coeff (MDa) 2 0 100 MilliDaltons Mass DigitsAfterDecimal 1 None MS Mass Coeff (Ppm) 5.6 0 100 PartsPerMillion Mass DigitsAfterDecimal 1 None MS MS Mass Coeff (MDa) 2.5 0 100 MilliDaltons Mass DigitsAfterDecimal 1 None MS MS Mass Coeff (Ppm) 7.5 0 100 PartsPerMillion Mass DigitsAfterDecimal 1 None MS isotope abundance 7.5 0 100 Percent RelativeDifference DigitsAfterDecimal 1 None Formula generation rules B0201 Include target formula in results false Target formula Positive ions: false 1 -1 0 true 1 -1 1 H false 1 -1 1 Na false 1 -1 1 K false 1 -1 1 NH4 false 1 -1 1 C2H5 false 1 -1 1 C3H5 false 1 -1 1 C4H9 false 1 -1 0 true 1 -1 1 H true 1 -1 1 Na false 1 -1 1 K false 1 -1 1 NH4 false 1 -1 1 C2H5 false 1 -1 1 C3H5 false 1 -1 1 C4H9 Negative ions: false 1 1 0 true 1 1 -1 H false 1 1 1 Cl false 1 1 1 Br false 1 1 1 COOH false 1 1 1 CF3COO false 1 1 1 CH3COOH false 1 1 0 true 1 1 -1 H false 1 1 1 Cl false 1 1 1 Br true 1 1 1 COOH true 1 1 1 CF3COO false 1 1 1 CH3COOH Group hits with same formula (but different charge carriers) true Delete all previous results true Highlight all compounds false FindCompounds true false Compound mining algorithm FindByMolecularFeature Search a database for each compound false Generate formulas for each compound false Generate formulas for peaks with no database hits true Chromatogram Polarity: Mixed TIC true BPC false TWC false Signal A false Signal device Type DiodeArrayDetector m/z range: Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly Match sequences for each compound false Show only identified compounds true Search a library for each compound false Content to include AllResults Print report true Printer name <Default> Print preview false Save report as Excel file false Save report as PDF file false Separate report per data file true Inside data file's reports subdirectory true At specified directory D:\MassHunter\reports Overwrite existing report false User true script1 script2 script3 Limit operations to specific retention times: false Limit operations to: Minutes AcqTime DigitsAfterDecimal 3 Minutes AcqTime DigitsAfterDecimal 3 PrecisionOnly Selected export formats MzData Export to the batch location false One export file per data file true At the location of the data file true Specified export directory D:\MassHunter\Data Specified export file name c:\temp\exportFile Overwrite existing export file false Peak window: 0.04 0 Minutes Unspecified DigitsAfterDecimal 2 None Export entire data file true Export only highlighted false MS level type All MS storage mode to use PeakDetectedSpectrum Compute deisotope false Baseline Chunk Size 4 4 Unspecified Unspecified DigitsAfterDecimal 0 None Baseline Minimum Chunks 10 1 Unspecified Unspecified DigitsAfterDecimal 0 None Baseline Fraction Skip 0.02 0.01 0.999 Unspecified Unspecified DigitsAfterDecimal 3 None Baseline Fraction Use 0.05 0.01 0.999 Unspecified Unspecified DigitsAfterDecimal 3 None Tolerance 0.25 0.05 5000 Unspecified Unspecified DigitsAfterDecimal 3 None Detect Maximum Spike Width 2 0 10 Unspecified Unspecified DigitsAfterDecimal 0 None Detect Required Valley 0.4 0 1 Unspecified Unspecified DigitsAfterDecimal 2 None Restrict X-Range false X-Range 0 0 Thompsons MassToCharge DigitsAfterDecimal 4 0 20000 0 20000 PrecisionOnly Fast Baseline true PeakHeightAbsThreshold, PeakHeightPctThreshold Peak height (counts) >= 10 0 Abundance Response DigitsAfterDecimal 0 None Peak height (%) >= 0.1 0 100 Abundance Response DigitsAfterDecimal 3 None Limit to the largest: 100 0 Unspecified Unspecified DigitsAfterDecimal 0 None 0 0 Abundance Response DigitsAfterDecimal 2 None 5 0 Mixed Mixed DigitsAfterDecimal 1 None 10000 0 Abundance Response DigitsAfterDecimal 0 None 5 0 100 Abundance Response DigitsAfterDecimal 3 None 1 1 Unspecified Unspecified DigitsAfterDecimal 0 None true true true Annotate fragment spectrum peaks with formulas false Generate formulas for non-fragment (unknown) ions false true false false Isotope spacing tolerance(m/z) 0.0025 0 0.5 Thompsons MassToCharge DigitsAfterDecimal 4 None Isotope spacing tolerance(ppm) 7 0 200 Unspecified Unspecified DigitsAfterDecimal 1 None Remove higher isotopes false Recompute when peak list changes true Maximum charge state 2 1 99 Unspecified Unspecified DigitsAfterDecimal 0 None Minimum charge state 0 0 99 Unspecified Unspecified DigitsAfterDecimal 0 None Limit assigned charge states to a maximum of: true Isotope model CommonOrganicMolecules Treat ions with unassigned charge as singly-charged false Sum abundance true PeakHeightAbsThreshold, PeakHeightPctThreshold Peak height (counts) >= 10 0 Abundance Response DigitsAfterDecimal 0 None Peak height (%) >= 0.1 0 100 Abundance Response DigitsAfterDecimal 3 None Limit to the largest: 100 0 Unspecified Unspecified DigitsAfterDecimal 0 None 0 0 Abundance Response DigitsAfterDecimal 2 None 5 0 Mixed Mixed DigitsAfterDecimal 1 None 10000 0 Abundance Response DigitsAfterDecimal 0 None 5 0 100 Abundance Response DigitsAfterDecimal 3 None 1 1 Unspecified Unspecified DigitsAfterDecimal 0 None true true true Annotate fragment spectrum peaks with formulas false Generate formulas for non-fragment (unknown) ions false true false false Isotope spacing tolerance(m/z) 0.0025 0 0.5 Thompsons MassToCharge DigitsAfterDecimal 4 None Isotope spacing tolerance(ppm) 7 0 200 Unspecified Unspecified DigitsAfterDecimal 1 None Remove higher isotopes false Recompute when peak list changes true Maximum charge state 2 1 99 Unspecified Unspecified DigitsAfterDecimal 0 None Minimum charge state 0 0 99 Unspecified Unspecified DigitsAfterDecimal 0 None Limit assigned charge states to a maximum of: true Isotope model CommonOrganicMolecules Treat ions with unassigned charge as singly-charged false Sum abundance true Enable system suitability calculations false Pharmacopoeia: USP Column void time: 0 0 Minutes Unspecified DigitsAfterDecimal 1 None Column length unit: Centimeters Column length: 0 0 Centimeters Unspecified DigitsAfterDecimal 1 UnitsAndPrecision Integrator Selection Rte Point sampling: 1 1 9 Unspecified Unspecified DigitsAfterDecimal 0 None Smoothing false Filtering: FivePoint Start threshold: 0.2 0.001 100 Unspecified Unspecified DigitsAfterDecimal 3 None Stop threshold: 0 0 100 Unspecified Unspecified DigitsAfterDecimal 1 None Peak location: Top Baseline reset > 5 0 500 Unspecified Unspecified DigitsAfterDecimal 0 None If either edge < 100 1 100 Unspecified Unspecified DigitsAfterDecimal 0 None Baseline Preference Tangent Tangent skim mode: Standard Baseline correction mode: Classical Front skim height ratio: 0 0 Unspecified Unspecified DigitsAfterDecimal 2 None Tail skim height ratio: 0 0 Unspecified Unspecified DigitsAfterDecimal 2 None Skim valley ratio: 20 0 Unspecified Unspecified DigitsAfterDecimal 2 None Peak-to-Valley ratio: 500 0 Unspecified Unspecified DigitsAfterDecimal 2 None SlopeSensitivity False 5 0 Unspecified Unspecified DigitsAfterDecimal 2 None BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly PeakWidth False 0.05 0 Unspecified Unspecified DigitsAfterDecimal 2 None BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly AreaReject False 5 -1.79769313486232E+308 Unspecified Unspecified DigitsAfterDecimal 2 None BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly HeightReject False 1 -1.79769313486232E+308 Unspecified Unspecified DigitsAfterDecimal 2 None BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly ShouldersMode False OFF BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly BaselineNow True true BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly PeakAreaPctThreshold Peak area (counts) >= 10000 0 Abundance Response DigitsAfterDecimal 0 None Peak area (%) >= 1 0 100 Abundance Response DigitsAfterDecimal 3 None Peak height (counts) >= 10000 0 Abundance Response DigitsAfterDecimal 0 None Peak height (%) >= 5 0 100 Abundance Response DigitsAfterDecimal 3 None Limit to largest: 100 0 Unspecified Unspecified DigitsAfterDecimal 0 None 0 0 Abundance Response DigitsAfterDecimal 2 None 5 0 Unspecified Unspecified DigitsAfterDecimal 1 None 1 1 Unspecified Unspecified DigitsAfterDecimal 0 None false Annotate fragment spectrum peaks with formulas false Generate formulas for non-fragment (unknown) ions false true true false Shoulder detection OFF Threshold: 0 0 Unspecified Unspecified DigitsAfterDecimal 2 None Area reject: 0 0 Unspecified Unspecified DigitsAfterDecimal 2 None Peak width: 0 0 Unspecified Unspecified DigitsAfterDecimal 2 None false BaselineNow True true BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly Enable system suitability calculations false Pharmacopoeia: USP Column void time: 0 0 Minutes Unspecified DigitsAfterDecimal 1 None Column length unit: Centimeters Column length: 0 0 Centimeters Unspecified DigitsAfterDecimal 1 UnitsAndPrecision Integrator Selection Rte Point sampling: 1 1 9 Unspecified Unspecified DigitsAfterDecimal 0 None Smoothing false Filtering: FivePoint Start threshold: 0.2 0.001 100 Unspecified Unspecified DigitsAfterDecimal 3 None Stop threshold: 0 0 100 Unspecified Unspecified DigitsAfterDecimal 1 None Peak location: Top Baseline reset > 5 0 500 Unspecified Unspecified DigitsAfterDecimal 0 None If either edge < 100 1 100 Unspecified Unspecified DigitsAfterDecimal 0 None Baseline Preference Tangent Tangent skim mode: Standard Baseline correction mode: Classical Front skim height ratio: 0 0 Unspecified Unspecified DigitsAfterDecimal 2 None Tail skim height ratio: 0 0 Unspecified Unspecified DigitsAfterDecimal 2 None Skim valley ratio: 20 0 Unspecified Unspecified DigitsAfterDecimal 2 None Peak-to-Valley ratio: 500 0 Unspecified Unspecified DigitsAfterDecimal 2 None SlopeSensitivity False 5 0 Unspecified Unspecified DigitsAfterDecimal 2 None BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly PeakWidth False 0.05 0 Unspecified Unspecified DigitsAfterDecimal 2 None BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly AreaReject False 5 -1.79769313486232E+308 Unspecified Unspecified DigitsAfterDecimal 2 None BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly HeightReject False 1 -1.79769313486232E+308 Unspecified Unspecified DigitsAfterDecimal 2 None BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly ShouldersMode False OFF BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly BaselineNow True true BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly Shoulder detection OFF Threshold: 0 0 Unspecified Unspecified DigitsAfterDecimal 2 None Area reject: 0 0 Unspecified Unspecified DigitsAfterDecimal 2 None Peak width: 0 0 Unspecified Unspecified DigitsAfterDecimal 2 None false BaselineNow True true BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly PeakAreaPctThreshold Peak area (counts) >= 10000 0 Abundance Response DigitsAfterDecimal 0 None Peak area (%) >= 1 0 100 Abundance Response DigitsAfterDecimal 3 None Peak height (counts) >= 10000 0 Abundance Response DigitsAfterDecimal 0 None Peak height (%) >= 5 0 100 Abundance Response DigitsAfterDecimal 3 None Limit to largest: 100 0 Unspecified Unspecified DigitsAfterDecimal 0 None 0 0 Abundance Response DigitsAfterDecimal 2 None 5 0 Unspecified Unspecified DigitsAfterDecimal 1 None 1 1 Unspecified Unspecified DigitsAfterDecimal 0 None false Annotate fragment spectrum peaks with formulas false Generate formulas for non-fragment (unknown) ions false true true false Average scans above false Average scans above (%): 10 0 100 Abundance Response DigitsAfterDecimal 0 None Exclude saturated TOF spectra true TOF saturation limit (%): 10 10 100 Abundance Response DigitsAfterDecimal 1 None Restrict saturation m/z range: false Check for saturation in: Thompsons MassToCharge DigitsAfterDecimal 4 100 2000 Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 100 2000 Thompsons MassToCharge DigitsAfterDecimal 4 0 100000 PrecisionOnly MS background source: PeakStartAndEnd MS/MS background source: None UV background source: PeakStartAndEnd Time range: 0 0 Minutes AcqTime DigitsAfterDecimal 3 PrecisionOnly Also evaluate with no background false Never return an empty spectrum true Tof saturation mz range option ChromatogramRange false UV Extract MRM chromatogram true Extract MRM spectrum true Group transitions by compound name true Detect most abundant peak by peak area true DB search score weight: 40 0 100 Unspecified Unspecified DigitsAfterDecimal 2 None MFG score weight: 40 0 100 Unspecified Unspecified DigitsAfterDecimal 2 None Library search score weight: 40 0 100 Unspecified Unspecified DigitsAfterDecimal 2 None BioConfirm score weight: 40 0 100 Unspecified Unspecified DigitsAfterDecimal 2 None Minimum overall score: 0 0 100 Unspecified Unspecified DigitsAfterDecimal 2 None Autolock score: 60 0 100 Unspecified Unspecified DigitsAfterDecimal 2 None Maximum number of hits: 10 0 Unspecified Unspecified DigitsAfterDecimal 0 None Retention time window: 0 -100 100 Unspecified Unspecified DigitsAfterDecimal 2 None Retention time window: 0.25 0 1 Unspecified Unspecified DigitsAfterDecimal 2 None Limit number of precursor ions per compound to 1 0 Unspecified Unspecified DigitsAfterDecimal 0 None Limit number of precursor ions per compound to true PSetExportInclusionList_MinimunIonAbundance 2000 0 Unspecified Unspecified DigitsAfterDecimal 0 None Minimum ion abundance: true Export monoisotopic m/z true Specify charge state preference order false Method path: D:\MassHunter Only highlighted compounds false PSetExportInclusionList_SelectedChargeStates 2 3 >3 2 3 >3 false 1 -1 0 true 1 -1 1 H false 1 -1 1 Na false 1 -1 1 K false 1 -1 1 NH4 false 1 -1 0 true 1 -1 1 H false 1 -1 1 Na false 1 -1 1 K false 1 -1 1 NH4 false 1 1 0 true 1 1 -1 H false 1 1 1 Cl false 1 1 1 Br false 1 1 1 HCOO false 1 1 1 CH3COO false 1 1 1 CF3COO false 1 1 0 true 1 1 -1 H false 1 1 1 Cl false 1 1 1 Br false 1 1 1 HCOO false 1 1 1 CH3COO false 1 1 1 CF3COO ChargeStatePriorities ChargeState 1 Priority 0 Unspecified Unspecified DigitsAfterDecimal 0 None ChargeState 2 Priority 1 Unspecified Unspecified DigitsAfterDecimal 0 None ChargeState 3 Priority 1 Unspecified Unspecified DigitsAfterDecimal 0 None ChargeState >3 Priority 2 Unspecified Unspecified DigitsAfterDecimal 0 None ChargeState Unknown Priority 0 Unspecified Unspecified DigitsAfterDecimal 0 None Sort exclusion list by: RetentionTime Export inclusion list format AutoMsMsPreferred Sort Ascending true MaximumCount, SignalToNoiseThreshold Peak area (counts) >= 10000 0 Abundance Response DigitsAfterDecimal 0 None Peak area (%) >= 1 0 100 Abundance Response DigitsAfterDecimal 3 None Peak height (counts) >= 10000 0 Abundance Response DigitsAfterDecimal 0 None Peak height (%) >= 5 0 100 Abundance Response DigitsAfterDecimal 3 None Limit to largest: 100 0 Unspecified Unspecified DigitsAfterDecimal 0 None 0 0 Abundance Response DigitsAfterDecimal 2 None 30 0 Unspecified Unspecified DigitsAfterDecimal 1 None 1 1 Unspecified Unspecified DigitsAfterDecimal 0 None false Annotate fragment spectrum peaks with formulas false Generate formulas for non-fragment (unknown) ions false true true false Spectral library path: Min m/z: 30 0 Unspecified Unspecified DigitsAfterDecimal 2 None Minimum match score: 50 0 100 Unspecified Unspecified DigitsAfterDecimal 2 None Maximum hits per compound: 10 0 100 Unspecified Unspecified DigitsAfterDecimal 0 None RTMatchPenalty Gaussian Standard deviation 0.1 0 Unspecified Unspecified DigitsAfterDecimal 2 None Penalty-free RT Range 0 0 Unspecified Unspecified DigitsAfterDecimal 2 None RT range 0.1 0 Unspecified Unspecified DigitsAfterDecimal 2 None Use RT match false Limit to the best true RT Calibration file: RT mismatch penalty type Additive Max RT penalty: 20 0 Unspecified Unspecified DigitsAfterDecimal 2 None m/z expansion: SymmetricMz Single m/z width 0.5 0 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Single ppm width 100 10 1000 Unspecified Unspecified DigitsAfterDecimal 1 None Asymmetric m/z width low 0.3 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Asymmetric m/z width high 0.7 0 10 Thompsons MassToCharge DigitsAfterDecimal 4 PrecisionOnly Adjust Score true Enable screening false Ratio percent uncertainty: 40 0 100 Unspecified Unspecified DigitsAfterDecimal 2 None Multi-Library search type: All Max m/z: 300 Unspecified Unspecified DigitsAfterDecimal 2 None true Save Complete Results false Integrator Selection Agile Point sampling: 1 1 9 Unspecified Unspecified DigitsAfterDecimal 0 None Smoothing false Filtering: FivePoint Start threshold: 0.2 0.001 100 Unspecified Unspecified DigitsAfterDecimal 3 None Stop threshold: 0 0 100 Unspecified Unspecified DigitsAfterDecimal 1 None Peak location: Top Baseline reset > 5 0 500 Unspecified Unspecified DigitsAfterDecimal 0 None If either edge < 100 1 100 Unspecified Unspecified DigitsAfterDecimal 0 None Baseline Preference Tangent Tangent skim mode: Standard Baseline correction mode: Classical Front skim height ratio: 0 0 Unspecified Unspecified DigitsAfterDecimal 2 None Tail skim height ratio: 0 0 Unspecified Unspecified DigitsAfterDecimal 2 None Skim valley ratio: 20 0 Unspecified Unspecified DigitsAfterDecimal 2 None Peak-to-Valley ratio: 500 0 Unspecified Unspecified DigitsAfterDecimal 2 None SlopeSensitivity False 5 0 Unspecified Unspecified DigitsAfterDecimal 2 None BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly PeakWidth False 0.05 0 Unspecified Unspecified DigitsAfterDecimal 2 None BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly AreaReject False 5 -1.79769313486232E+308 Unspecified Unspecified DigitsAfterDecimal 2 None BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly HeightReject False 1 -1.79769313486232E+308 Unspecified Unspecified DigitsAfterDecimal 2 None BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly ShouldersMode False OFF BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly BaselineNow True true BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly Shoulder detection OFF Threshold: 0 0 Unspecified Unspecified DigitsAfterDecimal 2 None Area reject: 0 0 Unspecified Unspecified DigitsAfterDecimal 2 None Peak width: 0 0 Unspecified Unspecified DigitsAfterDecimal 2 None false BaselineNow True true BaselineNow False true 0 0 Minutes Unspecified DigitsAfterDecimal 3 PrecisionOnly PeakAreaPctThreshold Peak area (counts) >= 10000 0 Abundance Response DigitsAfterDecimal 0 None Peak area (%) >= 1 0 100 Abundance Response DigitsAfterDecimal 3 None Peak height (counts) >= 10000 0 Abundance Response DigitsAfterDecimal 0 None Peak height (%) >= 5 0 100 Abundance Response DigitsAfterDecimal 3 None Limit to largest: 100 0 Unspecified Unspecified DigitsAfterDecimal 0 None 0 0 Abundance Response DigitsAfterDecimal 2 None 30 0 Unspecified Unspecified DigitsAfterDecimal 1 None 1 1 Unspecified Unspecified DigitsAfterDecimal 0 None false Annotate fragment spectrum peaks with formulas false Generate formulas for non-fragment (unknown) ions false true true false Whole spectrum using library search false Generate formula for each peak if no library hit found false Identify individual peaks in spectrum true No identification false Maximum number of peaks to identify (per spectrum) 5 1 5000 Unspecified Unspecified DigitsAfterDecimal 0 None Search a database for each peak false Generate formula for each peak false Generate formulas for peaks with no database hits true Chromatogram used to find mass spectra TotalIon TIC false BPC false TWC false Signal A false Get Signal A from DiodeArrayDetector Get Signal A from CE1 1 1 9 Unspecified Unspecified DigitsAfterDecimal 0 None BPC m/z range: Thompsons MassToCharge DigitsAfterDecimal 4 Thompsons MassToCharge DigitsAfterDecimal 4 0 0 PrecisionOnly LOW energy channel spectra with ALLIONS_OR_CLASSIC Confirm with fragment ions false Coelution score 90 0 100 Unspecified Unspecified DigitsAfterDecimal 0 None Spectral library if spectrum available, otherwise use average fragment spectrum true Number of most abundant ions from spectral library 5 1 20 Unspecified Unspecified DigitsAfterDecimal 0 None Number of most abundant ions from average fragment spectrum 7 1 20 Unspecified Unspecified DigitsAfterDecimal 0 None RT difference 0.1 0 1 Unspecified Unspecified DigitsAfterDecimal 2 None S/N ratio true 5 2 100 Unspecified Unspecified DigitsAfterDecimal 2 None Minimum number of qualified fragments true 1 1 5 Unspecified Unspecified DigitsAfterDecimal 0 None Minimum percent of qualified fragments 75 0 100 Unspecified Unspecified DigitsAfterDecimal 0 None false MaximumCount, PeakHeightAbsThreshold, PeakHeightPctThreshold Peak height (counts) >= 10 0 Abundance Response DigitsAfterDecimal 0 None Peak height (%) >= 0.1 0 100 Abundance Response DigitsAfterDecimal 3 None Limit to the largest: 100 0 Unspecified Unspecified DigitsAfterDecimal 0 None 0 0 Abundance Response DigitsAfterDecimal 2 None 5 0 Mixed Mixed DigitsAfterDecimal 1 None 10000 0 Abundance Response DigitsAfterDecimal 0 None 5 0 100 Abundance Response DigitsAfterDecimal 3 None 1 1 Unspecified Unspecified DigitsAfterDecimal 0 None true true true Annotate fragment spectrum peaks with formulas false Generate formulas for non-fragment (unknown) ions false true false true Matching Source SequenceMass Sequences true Mass(es) false Masses: 0 750000 Daltons Mass DigitsAfterDecimal 3 None MS mass coeff (mDa) 2 0 100 MilliDaltons Mass DigitsAfterDecimal 1 None MS mass coeff (ppm) 5.6 0 100 PartsPerMillion Mass DigitsAfterDecimal 1 None MS/MS mass coeff (MDa) 5 0 100 MilliDaltons Mass DigitsAfterDecimal 1 None MS/MS mass coeff (ppm) 7.5 0 100 PartsPerMillion Mass DigitsAfterDecimal 1 None Mass range 10000 17000 Daltons DeconvolutedMass DigitsAfterDecimal 2 4000 750000 4000 750000 PrecisionOnly Chromatogram type BasePeak Mass step 1 0.05 100 Daltons Mass DigitsAfterDecimal 4 PrecisionOnly S/N threshold 30 0 Unspecified Unspecified DigitsAfterDecimal 1 None Use limited m/z range false Adduct true 1 -1 1 H true 1 -1 1 H Average mass 90 Unspecified Unspecified DigitsAfterDecimal 0 None Isotope width Automatic Specified isotope width 20 0 200 Daltons Mass DigitsAfterDecimal 4 PrecisionOnly m/z 600 5000 Thompsons MassToCharge DigitsAfterDecimal 4 50 100000 50 100000 PrecisionOnly Minimum consecutive charge states 5 0 100 Unspecified Unspecified DigitsAfterDecimal 0 None Minimum protein fit score 8 1 10 Unspecified Unspecified DigitsAfterDecimal 0 None Extract EIC false true Resolution 12000 0 Unspecified Unspecified DigitsAfterDecimal 2 None Peak width 0.5 0 10000 Unspecified Unspecified DigitsAfterDecimal 2 None Singlet width Default Number of iterations 20 5 10000 Unspecified Unspecified DigitsAfterDecimal 0 None Deconvolution algorithm MaximumEntropy Subtract baseline true Baseline factor 7 0 1000 Unspecified Unspecified DigitsAfterDecimal 2 None Uncertainty true Absolute intensity false 10000 0 Abundance Response DigitsAfterDecimal 0 None Relative intensity false 5 0 100 Abundance Response DigitsAfterDecimal 3 None Limit (by intensity) to the largest false 100 0 Unspecified Unspecified DigitsAfterDecimal 0 None 30 0 100 Unspecified Unspecified DigitsAfterDecimal 2 None 10 1 1000 Unspecified Unspecified DigitsAfterDecimal 2 None Sequences: Tolerance Unit Ppm Tolerance MS (Ppm) 5 0 PartsPerMillion RelativeDifference DigitsAfterDecimal 2 PrecisionOnly Tolerance MS (Da) 0.05 0 Daltons MassDifference DigitsAfterDecimal 2 PrecisionOnly Tolerance Unit Ppm Tolerance MSMS (Ppm) 50 0 PartsPerMillion RelativeDifference DigitsAfterDecimal 2 PrecisionOnly Tolerance MSMS (Da) 0.05 0 Daltons MassDifference DigitsAfterDecimal 2 PrecisionOnly MS score: 30 0 100 Unspecified Unspecified DigitsAfterDecimal 2 None MS/MS score: 70 0 100 Unspecified Unspecified DigitsAfterDecimal 2 None MS/MS scored peak intensity: 50 0 100 Unspecified Unspecified DigitsAfterDecimal 2 None MS/MS matched ion score: 50 0 100 Unspecified Unspecified DigitsAfterDecimal 2 None Use top: 25 1 Unspecified Unspecified DigitsAfterDecimal 0 None MS/MS score threshold: 0 0 100 Unspecified Unspecified DigitsAfterDecimal 2 None Clear all previous match results true Highlight all spectra false Masslist false true