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MB Sample ID: SA155288
| Local Sample ID: | s1133 |
| Subject ID: | SU001760 |
| Subject Type: | Mammal |
| Subject Species: | Mus musculus |
| Taxonomy ID: | 10090 |
| Genotype Strain: | Swiss Webster |
| Age Or Age Range: | 10-14 weeks |
| Gender: | Male |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN002747 | AN002748 | AN002749 |
|---|---|---|---|
| Analysis type | MS | MS | MS |
| Chromatography type | Reversed phase | Reversed phase | HILIC |
| Chromatography system | Agilent qTOF 6545 | Agilent qTOF 6545 | Agilent qTOF 6545 |
| Column | Waters Acquity BEH (100 x 2.1mm,1.7um) | Waters Acquity BEH (100 x 2.1mm,1.7um) | Waters Acquity BEH Amide (150 x 2.1mm,1.7um) |
| MS Type | ESI | ESI | ESI |
| MS instrument type | QTOF | QTOF | QTOF |
| MS instrument name | Agilent qTOF 6545 | Agilent qTOF 6545 | Agilent qTOF 6545 |
| Ion Mode | POSITIVE | NEGATIVE | POSITIVE |
| Units | Raw ion count (peak area) | Raw ion count (peak area) | Raw ion count (peak area) |
Chromatography:
| Chromatography ID: | CH002029 |
| Chromatography Summary: | Published C18 reveres phase methods were implemented with minor modifications. The C18 positive method (ESI+) used mobile phase solvents (LC-MS grade) consisting of 0.1% formic acid (Fisher) in water (A) and 0.1% formic acid in methanol (B). The gradient profile was from 0.5% B to 70% B in 4 minutes, from 70% B to 98% B in 0.5 minutes, and holding at 98% B for 0.9 minute before returning to 0.5% B in 0.2 minutes. The flow rate was 350 µL per minute. The sample injection volume was 5 µL. LC separations were made at 40oC on separate columns fitted with a Vanguard pre-column of the same composition: Waters Acquity BEH 1.7 µm particle size, 2.1 mm id x 100 mm length (C18). Data were collected at a mass range of 70-1000 m/z at an acquisition rate of 2 spectra per second. Specific ion source parameters included Fragmentor (140V), Gas Temp (250oC), Sheath Gas Temp (200oC), and VCap (4000V). |
| Instrument Name: | Agilent qTOF 6545 |
| Column Name: | Waters Acquity BEH (100 x 2.1mm,1.7um) |
| Column Temperature: | 40 |
| Flow Gradient: | 0.5% B to 70% B in 4 minutes, from 70% B to 98% B in 0.5 minutes, and holding at 98% B for 0.9 minute before returning to 0.5% B in 0.2 minutes. |
| Flow Rate: | 350 µL/min |
| Solvent A: | 100% water; 0.1% formic acid |
| Solvent B: | 100% methanol; 0.1% formic acid |
| Chromatography Type: | Reversed phase |
| Chromatography ID: | CH002030 |
| Chromatography Summary: | Published C18 reverse phase methods were implemented with minor modifications. The C18 negative method (ESI-) used mobile phase solvents (LC-MS grade) consisting of 6.5 mM ammonium bicarbonate (Sigma) in water at pH 8 (A) and 6.5 mM ammonium bicarbonate in 95:5 v/v methanol:water (B). The gradient profile was from 0.5% B to 70% B in 4 minutes, from 70% B to 98% B in 0.5 minutes, and holding at 98% B for 0.9 minute before returning to 0.5% B in 0.2 minutes. The flow rate was 350 µL per minute. The sample injection volume was 5 µL. LC separations were made at 40oC on separate columns fitted with a Vanguard pre-column of the same composition: Waters Acquity BEH 1.7 µm particle size, 2.1 mm id x 100 mm length. Data were collected at a mass range of 70-1000 m/z at an acquisition rate of 2 spectra per second. Specific ion source parameters included Fragmentor (140V), Gas Temp (250oC), Sheath Gas Temp (200oC), and VCap (4000V). |
| Instrument Name: | Agilent qTOF 6545 |
| Column Name: | Waters Acquity BEH (100 x 2.1mm,1.7um) |
| Column Temperature: | 40 |
| Flow Gradient: | 0.5% B to 70% B in 4 minutes, from 70% B to 98% B in 0.5 minutes, and holding at 98% B for 0.9 minute before returning to 0.5% B in 0.2 minutes. |
| Flow Rate: | 350 µL/min |
| Solvent A: | 100% water; 0.1% formic acid |
| Solvent B: | 100% methanol; 0.1% formic acid |
| Chromatography Type: | Reversed phase |
| Chromatography ID: | CH002031 |
| Chromatography Summary: | Published HILIC method was implemented with minor modifications. The HILIC (Hydrophilic Interaction Liquid Chromatography) positive method (ESI+) used mobile phase solvents (LC-MS grade) consisting of 0.125% formic acid and 10 mM ammonium formate (Sigma) in water at pH 3 (A) and 0.125% formic acid in 10 mM ammonium formate in 95:5 v/v acetonitrile:water (B). The gradient profile was held at 100% B for 2 minutes, from 100% B to 70% B in 5 minutes, holding at 70% B for 0.7 minute, from 70% B to 40% B for 1.3 minutes, holding at 40% B for 0.5 minutes, from 40% B to 30% B for 0.75 minutes, before returning to 100% B for 2.5 minutes and holding at 100% B for 4 minutes. The flow rate was 400 µL per minute. The sample injection volume was 3 µL. LC separations were made at 40oC on separate columns fitted with a Vanguard pre-column of the same composition dedicated to each analytical method: Waters Acquity BEH Amide 1.7 µm particle size, 2.1 mm id x 150 mm length. Data were collected at a mass range of 70-1000 m/z at an acquisition rate of 2 spectra per second. Specific ion source parameters included Fragmentor (140V), Gas Temp (250oC), Sheath Gas Temp (200oC), and VCap (4000V). |
| Instrument Name: | Agilent qTOF 6545 |
| Column Name: | Waters Acquity BEH Amide (150 x 2.1mm,1.7um) |
| Column Temperature: | 40 |
| Flow Gradient: | The gradient profile was held at 100% B for 2 minutes, from 100% B to 70% B in 5 minutes, holding at 70% B for 0.7 minute, from 70% B to 40% B for 1.3 minutes, holding at 40% B for 0.5 minutes, from 40% B to 30% B for 0.75 minutes, before returning to 100% B for 2.5 minutes and holding at 100% B for 4 minutes. |
| Flow Rate: | 400 µL/min |
| Solvent A: | 100% water; 0.125% formic acid; 10 mM ammonium formate, pH 3 |
| Solvent B: | 95% acetonitrile/5% water; 0.125% formic acid; 10 mM ammonium formate |
| Chromatography Type: | HILIC |
