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MB Sample ID: SA249142
| Local Sample ID: | S1 |
| Subject ID: | SU002587 |
| Subject Type: | Plant |
| Subject Species: | Malus domestica/Solanum lycopersicum/Lactuca sativa/Fragaria x ananassa/Allium sativum/Ocimum basilicum |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN004085 | AN004086 | AN004087 | AN004088 | AN004089 | AN004090 | AN004091 |
|---|---|---|---|---|---|---|---|
| Analysis type | MS | MS | MS | MS | MS | MS | MS |
| Chromatography type | GC | HILIC | HILIC | Reversed phase | Reversed phase | Normal phase | Normal phase |
| Chromatography system | Agilent 6890N | Waters Acquity | Waters Acquity | Waters Acquity | Waters Acquity | Thermo Vanquish | Thermo Vanquish |
| Column | Restek Rtx-5Sil MS (30 x 0.25mm, 0.25um) | Waters ACQUITY UPLC BEH Amide (150 x 2.1mm,1.7um) | Waters ACQUITY UPLC BEH Amide (150 x 2.1mm,1.7um) | Waters ACQUITY UPLC CSH C18 (100 x 2.1mm,1.7um) | Waters ACQUITY UPLC CSH C18 (100 x 2.1mm,1.7um) | Phenomenex Kinetex PFP (100 x 2.1mm,2.6um) | Phenomenex Kinetex PFP (100 x 2.1mm,2.6um) |
| MS Type | ESI | ESI | ESI | ESI | ESI | ESI | ESI |
| MS instrument type | GC-TOF | QTOF | QTOF | QTOF | QTOF | Orbitrap | Orbitrap |
| MS instrument name | Leco Pegasus IV TOF | Agilent 6530 QTOF | Agilent 6530 QTOF | Agilent 6530 QTOF | Agilent 6550 QTOF | Thermo Q Exactive Orbitrap | Thermo Q Exactive Orbitrap |
| Ion Mode | UNSPECIFIED | POSITIVE | NEGATIVE | POSITIVE | NEGATIVE | POSITIVE | NEGATIVE |
| Units | peak intensity | peak intensity | peak intensity | peak intensity | peak intensity | peak intensity | peak intensity |
Chromatography:
| Chromatography ID: | CH003026 |
| Instrument Name: | Agilent 6890N |
| Column Name: | Restek Rtx-5Sil MS (30 x 0.25mm, 0.25um) |
| Column Temperature: | Initial 50C to final 330C |
| Flow Gradient: | 50C for 1min, then ramped at 20C/min to 330C then held constant for 5 min |
| Flow Rate: | 1 mL/min |
| Injection Temperature: | 50C ramped to 250C by 12C/s |
| Solvent A: | None |
| Solvent B: | None |
| Oven Temperature: | 50C for 1min, then ramped at 20C/min to 330C then held constant for 5 min |
| Chromatography Type: | GC |
| Chromatography ID: | CH003027 |
| Instrument Name: | Waters Acquity |
| Column Name: | Waters ACQUITY UPLC BEH Amide (150 x 2.1mm,1.7um) |
| Column Temperature: | 40C |
| Flow Gradient: | 0-2 min 100% (B), 2-7 min 100%-70% (B), 7.7-9 min 100%-40% (B), 9.5-10.25 min 40%-30% (B), 10.25-12.75 min 30%-100% (B), 12.75-16.75 min 100% (B) |
| Flow Rate: | 0.4 mL/min |
| Solvent A: | 100% water; 10 mM ammonium formiate; 0.125% formic acid |
| Solvent B: | 95% acetonitrile/5% water; 10 mM ammonium formiate; 0.125% formic acid |
| Chromatography Type: | HILIC |
| Chromatography ID: | CH003028 |
| Instrument Name: | Waters Acquity |
| Column Name: | Waters ACQUITY UPLC CSH C18 (100 x 2.1mm,1.7um) |
| Column Temperature: | 65C |
| Flow Gradient: | 0 min 15% (B), 0–2 min 15%-30% (B), 2–2.5 min to 30%-48% (B), 2.5–11 min to 48%-82% (B), 11–11.5 min to 82%-99% (B), 11.5–12 min 99% (B), 12–12.1 min to 99%-15% (B), 12.1–15 min 15% (B) |
| Flow Rate: | 0.6 mL/min |
| Solvent A: | 60% acetonitrile/40% water; 10 mM ammonium formate; 0.1% formic acid |
| Solvent B: | 90% isopropanol/10% acetonitrile; 10 mM ammonium formate; 0.1% formic acid |
| Chromatography Type: | Reversed phase |
| Chromatography ID: | CH003029 |
| Instrument Name: | Thermo Vanquish |
| Column Name: | Phenomenex Kinetex PFP (100 x 2.1mm,2.6um) |
| Column Temperature: | 40C |
| Flow Gradient: | 0 min 7% (B), 0–4.5 min to 7%-20% (B), 4.5–7 min to 20%-100% (B), 7–8 min to 100%-7% (B), 8–10 min 7% (B) |
| Flow Rate: | 0.4mL/min |
| Solvent A: | 100% water; 0.1% formic Acid |
| Solvent B: | 100% acetonitrile; 0.1% formic Acid |
| Chromatography Type: | Normal phase |
