LCMS:Glycyrrhizae Radix
From Metabolomics.JP
(Difference between revisions)
| Line 18: | Line 18: | ||
{{CrudeDrug/LCMS/Neg | {{CrudeDrug/LCMS/Neg | ||
|NInstrument =Shimadzu LC-IT-TOF MS ESI | |NInstrument =Shimadzu LC-IT-TOF MS ESI | ||
| − | |NColumn =Waters | + | |NColumn =Waters Atlantis T3 (2.1 mm x 150 mm) |
|NTemperature=40 | |NTemperature=40 | ||
| − | |NSolventA = | + | |NSolventA =5 mM Ammonium acetate solution |
|NSolventB =acetonitrile | |NSolventB =acetonitrile | ||
|NGradient =10% to 100% Solvent B (0-30 min), 100% Solvent B (30-40 min) | |NGradient =10% to 100% Solvent B (0-30 min), 100% Solvent B (30-40 min) | ||
| Line 34: | Line 34: | ||
{{CrudeDrug/LCMS/Neg | {{CrudeDrug/LCMS/Neg | ||
|NInstrument =Shimadzu LC-IT-TOF MS ESI | |NInstrument =Shimadzu LC-IT-TOF MS ESI | ||
| − | |NColumn =Waters | + | |NColumn =Waters Atlantis T3 (2.1 mm x 150 mm) |
|NTemperature=40 | |NTemperature=40 | ||
| − | |NSolventA = | + | |NSolventA =5 mM Ammonium acetate solution |
|NSolventB =acetonitrile | |NSolventB =acetonitrile | ||
|NGradient =10% to 100% Solvent B (0-30 min), 100% Solvent B (30-40 min) | |NGradient =10% to 100% Solvent B (0-30 min), 100% Solvent B (30-40 min) | ||
Revision as of 12:33, 27 June 2011
| LCMS Data List |
Names |
Contents |
TIC
Analytical conditions (Positive mode)
| Instrument | Shimadzu LC-IT-TOF MS ESI |
| Column | Waters Atlantis T3 (2.1 mm x 100 mm, 3 micron) |
| Column temperature | 40 °C |
| Solvent A | 5 mM Ammonium acetate solution |
| Solvent B | acetonitrile |
| Gradient | 10% to 100% Solvent B (0-30 min), 100% Solvent B (30-40 min) |
| Source voltage | 4.5 kV |
| Capillary temperature | 200 °C |
| Nebulizer gas | 1.5 l/min |
Analytical conditions (Negative mode)
| Instrument | Shimadzu LC-IT-TOF MS ESI |
| Column | Waters Atlantis T3 (2.1 mm x 150 mm) |
| Column temperature | 40 °C |
| Solvent A | 5 mM Ammonium acetate solution |
| Solvent B | acetonitrile |
| Gradient | 10% to 100% Solvent B (0-30 min), 100% Solvent B (30-40 min) |
| Source voltage | -3.5 kV |
| Capillary temperature | 200 °C |
| Nebulizer gas | 1.5 l/min |
2D-Mass chromatogram (Condition 1)
Analytical conditions (Negative mode)
| Instrument | Shimadzu LC-IT-TOF MS ESI |
| Column | Waters Atlantis T3 (2.1 mm x 150 mm) |
| Column temperature | 40 °C |
| Solvent A | 5 mM Ammonium acetate solution |
| Solvent B | acetonitrile |
| Gradient | 10% to 100% Solvent B (0-30 min), 100% Solvent B (30-40 min) |
| Source voltage | -3.5 kV |
| Capillary temperature | 200 °C |
| Nebulizer gas | 1.5 l/min |
| Retention Time (min) | Compounds | Molecular formula | (M-H)- ions |
|---|---|---|---|
| 12.60 | Liquiritin | C21H22O9 | 417.1191 |
| 12.85 | Liquiritin apioside | C26H22O9 | 549.1614 |
| 13.41 | Licoricesaponin G2 | C42H62O17 | 837.3914 |
| 14.10 | Glycyrrhizin | C42H62O16 | 821.3965 |
| 14.26 | Licoricesaponin A3 | C48H72O21 | 983.4493 |
| 14.47 | Licoricesaponin H2 | C42H62O16 | 821.3965 |
| 14.92 | Licoricesaponin E2 | C42H60O16 | 819.3809 |
| 16.12 | Licorice glycoside E | C35H35NO14 | 692.1985 |
2D-Mass chromatogram (Condition 2)
Analytical conditions (Negative mode)
| Instrument | Shimadzu LC-IT-TOF MS ESI |
| Column | Waters Symmetry C18(2.1 mm x 150 mm) |
| Column temperature | 40 °C |
| Solvent A | 0.1% Formic acid solution |
| Solvent B | acetonitrile |
| Gradient | 10% to 100% Solvent B (0-30 min), 100% Solvent B (30-40 min) |
| Source voltage | -3.5 kV |
| Capillary temperature | 200 °C |
| Nebulizer gas | 1.5 l/min |
| Retention Time (min) | Compounds | Molecular formula | (M-H)- ions |
|---|---|---|---|
| 11.48 | Liquiritin | C21H22O9 | 417.1191 |
| 11.65 | Liquiritin apioside | C26H22O9 | 549.1614 |
| 14.84 | Licorice glycoside E | C35H35NO14 | 692.1985 |
| 16.28 | Licoricesaponin A3 | C48H72O21 | 983.4493 |
| 18.59 | Licoricesaponin E2 | C42H60O16 | 819.3809 |
| 18.71 | Licoricesaponin G2 | C42H62O17 | 837.3914 |
| 19.21 | Glycyrrhizin | C42H62O16 | 821.3965 |
| 20.19 | Licoricesaponin H2 | C42H62O16 | 821.3965 |
