Sandbox000
From Metabolomics.JP
(Difference between revisions)
| (One intermediate revision by one user not shown) | |||
| Line 11: | Line 11: | ||
|Capillary temperature=200 °C | |Capillary temperature=200 °C | ||
|Nebulizer gas=1.5 l/min | |Nebulizer gas=1.5 l/min | ||
| − | |Fragmentation= | + | |Fragmentation=12.60&&Liquiritin&&C<sub>21</sub>H<sub>22</sub>O<sub>9</sub>&&417.1191 |
| − | 12.60&&Liquiritin&&C<sub>21</sub>H<sub>22</sub>O<sub>9</sub>&&417.1191 | + | &&12.85&&Liquiritin apioside&&C<sub>26</sub>H<sub>22</sub>O<sub>9</sub>&&549.1614 |
| − | 12.85&&Liquiritin apioside&&C<sub>26</sub>H<sub>22</sub>O<sub>9</sub>&&549.1614 | + | &&13.41&&Licoricesaponin G2&&C<sub>42</sub>H<sub>62</sub>O<sub>17</sub>&&837.3914 |
| − | 13.41&&Licoricesaponin G2&&C<sub>42</sub>H<sub>62</sub>O<sub>17</sub>&&837.3914 | + | &&14.10&&Glycyrrhizin&&C<sub>42</sub>H<sub>62</sub>O<sub>16</sub>&&821.3965 |
| − | 14.10&&Glycyrrhizin&&C<sub>42</sub>H<sub>62</sub>O<sub>16</sub>&&821.3965 | + | &&14.26&&Licoricesaponin A3&&C<sub>48</sub>H<sub>72</sub>O<sub>21</sub>&&983.4493 |
| − | 14.26&&Licoricesaponin A3&&C<sub>48</sub>H<sub>72</sub>O<sub>21</sub>&&983.4493 | + | &&14.47&&Licoricesaponin H2&&C<sub>42</sub>H<sub>62</sub>O<sub>16</sub>&&821.3965 |
| − | 14.47&&Licoricesaponin H2&&C<sub>42</sub>H<sub>62</sub>O<sub>16</sub>&&821.3965 | + | &&14.92&&Licoricesaponin E2&&C<sub>42</sub>H<sub>60</sub>O<sub>16</sub>&&819.3809 |
| − | 14.92&&Licoricesaponin E2&&C<sub>42</sub>H<sub>60</sub>O<sub>16</sub>&&819.3809 | + | &&16.12&&Licorice glycoside E&&C<sub>35</sub>H<sub>35</sub>NO<sub>14</sub>&&692.1985 |
| − | 16.12&&Licorice glycoside E&&C<sub>35</sub>H<sub>35</sub>NO<sub>14</sub>&&692.1985 | + | |
|JDX=Test.jdx.gz | |JDX=Test.jdx.gz | ||
}} | }} | ||
Latest revision as of 17:20, 9 December 2009
[edit] 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 |
