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MB Sample ID: SA186773
| Local Sample ID: | SA184026 |
| Subject ID: | SU002076 |
| Subject Type: | Bacteria |
| Subject Species: | Escherichia coli |
| Taxonomy ID: | 679895 |
| Genotype Strain: | BW25113 |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN003252 | AN003253 | AN003254 |
|---|---|---|---|
| Analysis type | MS | MS | MS |
| Chromatography type | Reversed phase | Reversed phase | Reversed phase |
| Chromatography system | Thermo Dionex Ultimate 3000 | Agilent 1290 Infinity | Agilent 1290 Infinity |
| Column | Macherey-Nagel EC 100/2 Nucleoshell C18 2.7μm | Waters Acquity BEH C18 (100 x 2mm,1.7um) | Waters Acquity BEH C18 (100 x 2mm,1.7um) |
| MS Type | ESI | ESI | ESI |
| MS instrument type | QTOF | QTOF | QTOF |
| MS instrument name | Bruker micrOTOFQ II | Bruker micrOTOFQ II | Bruker maXis II |
| Ion Mode | POSITIVE | POSITIVE | POSITIVE |
| Units | N/A (structure elucidation) | N/A (structure elucidation) | N/A (structure elucidation) |
Chromatography:
| Chromatography ID: | CH002396 |
| Chromatography Summary: | Standard LCMS measurements were performed on a Dionex Ultimate3000 (Thermo Scientific, Darmstadt, Germany) using an EC 100/2 Nucleoshell C18 2.7μm column (Macherey-Nagel, Düren, Germany) HPLC coupled to a micrOTOFQ II (Bruker Daltonics, Bremen, Germany) ESI-qTOF-HRMS. The LC system was run in the following gradient (A:H2O; B: MeOH, ; Flow: 200 μL/min): 0 min: 90% A, 5 min: 90% A, 35min: 0% A, 50min: 0% A, 51min: 90% A, 60 min: 90% A. The injection volume was 5 µL. |
| Methods Filename: | Chromatography_Protocol.docx |
| Instrument Name: | Thermo Dionex Ultimate 3000 |
| Column Name: | Macherey-Nagel EC 100/2 Nucleoshell C18 2.7μm |
| Flow Gradient: | 0 min: 90% A, 5 min: 90% A, 35min: 0% A, 50min: 0% A, 51min: 90% A, 60 min: 90% A |
| Flow Rate: | 200 μL/min |
| Solvent A: | 100% water |
| Solvent B: | 100% methanol |
| Chromatography Type: | Reversed phase |
| Chromatography ID: | CH002397 |
| Chromatography Summary: | Alternatively, a setup consisting of an Agilent Infinity 1290 UPLC system (Agilent, Santa Clara, CA, USA) equipped with an Acquity UPLC BEH C18 1.7 μm (2.1 × 100 mm) column and an Acquity UPLC BEH C18 1.7 μm VanGuard Pre-Column (2.1 × 5 mm; both columns purchased from Waters, Eschborn, Germany) coupled to a DAD detector and a micrOTOFQ II mass spectrometer (Bruker Daltonics, Bremen, Germany) with an electrospray ionization source was employed. The LC system was operated using a gradient (A: H2O, 0.1% formic acid; B: MeCN, 0.1% formic acid; flow: 600 μL/min): 0 min: 95% A; 0.80 min: 95% A; 18.70 min: 4.75% A; 18.80 min: 0% A; 23.00 min: 0% A; 23.10 min: 95% A; 25.00 min: 95% A and the column oven temperature was set to 45 °C. The injection volume was 5 µL. |
| Methods Filename: | Chromatography_Protocol.docx |
| Instrument Name: | Agilent 1290 Infinity |
| Column Name: | Waters Acquity BEH C18 (100 x 2mm,1.7um) |
| Column Temperature: | 45 °C |
| Flow Gradient: | 0 min: 95% A; 0.80 min: 95% A; 18.70 min: 4.75% A; 18.80 min: 0% A; 23.00 min: 0% A; 23.10 min: 95% A; 25.00 min: 95% A |
| Flow Rate: | 600 μL/min |
| Solvent A: | 100% water; 0.1% formic acid |
| Solvent B: | 100% methanol; 0.1% formic acid |
| Chromatography Type: | Reversed phase |
| Chromatography ID: | CH002398 |
| Chromatography Summary: | High accuracy measurements were performed on a 1290 UHPLC system (Agilent, Santa Clara, CA, USA) equipped with DAD, ELSD and maXis II™ (Bruker, Billerica, MA, USA) ESI-qTOF-UHRMS with the following gradient: 0 min: 95% A; 0.30 min: 95% A; 18.00 min: 4.75% A; 18.10 min: 0% A; 22.50 min: 0% A; 22.60 min: 95% A; 25.00 min: 95% A (A: H2O, 0.1% formic acid; B: acetonitrile, 0.1% formic acid; flow: 600 μL/min). The employed column was an Acquity UPLC BEH C18 1.7 μm (2.1 × 100 mm) column with an Acquity UPLC BEH C18 1.7 μm VanGuard Pre-Column (2.1 × 5 mm). The column oven temperature was maintained at 45°C. The injection volume was either 1 or 2 µL. |
| Methods Filename: | Chromatography_Protocol.docx |
| Instrument Name: | Agilent 1290 Infinity |
| Column Name: | Waters Acquity BEH C18 (100 x 2mm,1.7um) |
| Column Temperature: | 45 °C |
| Flow Rate: | 600 μL/min |
| Solvent A: | 100% water; 0.1% formic acid |
| Solvent B: | 100% methanol; 0.1% formic acid |
| Chromatography Type: | Reversed phase |
