LCMS:Glycyrrhizae Radix
From Metabolomics.JP
(Difference between revisions)
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| [[Licoricesaponin H2]] || C<sub>42</sub>H<sub>62</sub>O<sub>16</sub> || 821.3965 | | [[Licoricesaponin H2]] || C<sub>42</sub>H<sub>62</sub>O<sub>16</sub> || 821.3965 | ||
|} | |} | ||
| + | |||
| + | ==TIC== | ||
| + | [[Image:Glycyrrhizae LC-MS.jpg|thumb|700px|center|LC-MS TIC of extracts]] | ||
| + | |||
| + | ==Analytical conditions== | ||
| + | {| class="wikitable" style="width:80%" | ||
| + | |- | ||
| + | | Instrument || Shimadzu LC-IT-TOF MS ESI (Positive ion mode) | ||
| + | |- | ||
| + | | Column || Waters Atlantis T3 (2.1 mm x 100 mm, 3 micron) | ||
| + | |- | ||
| + | | Column Temperature|| 40℃ | ||
| + | |- | ||
| + | | 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 | ||
| + | |} | ||
| + | |||
| + | {| class="wikitable" style="width:80%" | ||
| + | |- | ||
| + | | Instrument || Shimadzu LC-IT-TOF MS ESI (Negative ion mode) | ||
| + | |- | ||
| + | | Column || Waters Atlantis T3 (2.1 mm x 150 mm) | ||
| + | |- | ||
| + | | Column Temperature|| 40℃ | ||
| + | |- | ||
| + | | 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 | ||
| + | |} | ||
| + | |||
| + | |||
| + | |||
| + | |||
| + | ==LC-MS raw data== | ||
| + | |||
| + | ===Glycyrrhizae Radix LC-MS=== | ||
| + | {{JCampViewer|Linderae LC-MS.gz}} | ||
Revision as of 09:50, 4 February 2011
Contents |
2D-Mass chromatogram (Condition 1)
| Instrument | Shimadzu LC-IT-TOF MS ESI (Negative ion mode) |
| Column | Waters Atlantis T3 (2.1 mm x 150 mm) |
| Column Temperature | 40℃ |
| 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)
| Instrument | Shimadzu LC-IT-TOF MS ESI (Negative ion mode) |
| Column | Waters Symmetry C18(2.1 mm x 150 mm) |
| Column Temperature | 40℃ |
| 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 |
TIC
Analytical conditions
| Instrument | Shimadzu LC-IT-TOF MS ESI (Positive ion mode) |
| Column | Waters Atlantis T3 (2.1 mm x 100 mm, 3 micron) |
| Column Temperature | 40℃ |
| 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 |
| Instrument | Shimadzu LC-IT-TOF MS ESI (Negative ion mode) |
| Column | Waters Atlantis T3 (2.1 mm x 150 mm) |
| Column Temperature | 40℃ |
| 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 |
