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| − | == Yokukansan LC-MS Data ==
| + | {{LCMS/Header}} |
| − | [[Image:Yokukann1.jpg|thumb|600px|left]]
| + | {{CrudeDrug/TIC |
| − | {| class="wikitable" style="width:80%"
| + | |TICFile=Yokukann_rev |
| − | |-
| + | }} |
| − | | 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" | + | {{CrudeDrug/TIC |
| − | ! Retention Time (min) !! Compounds !!Molecular formula !!(M-H)- ions
| + | |TICFile=Yokukann2 |
| − | |-
| + | }} |
| − | ! 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
| + | |
| − | |-
| + | |
| − | ! 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
| + | |
| − | |-
| + | |
| − | ! 14.26
| + | |
| − | | [[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
| + | |
| − | |-
| + | |
| − | ! 14.92
| + | |
| − | | [[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
| + | |
| − | |}
| + | |
| | | | |
| − | {{JCampViewer|Glycyrrhizae_std_T3.JDX.gz}} | + | {{CrudeDrug/LCMS/Pos |
| | + | |PInstrument =Shimadzu LC-IT-TOF MS ESI |
| | + | |PColumn =Waters Atlantis T3 (2.1 mm x 100 mm, 3 micron) |
| | + | |PTemperature=40 |
| | + | |PSolventA =5 mM Ammonium acetate solution |
| | + | |PSolventB =acetonitrile |
| | + | |PGradient =10% to 100% Solvent B (0-30 min), 100% Solvent B (30-40 min) |
| | + | |PVoltage =4.5 |
| | + | |PCapillary =200 |
| | + | |PGas =1.5 |
| | + | }} |
| | | | |
| | + | ==LC-MS raw data== |
| | | | |
| − | == 2D-Mass chromatogram (Condition 2) == | + | ===Yokukansan (Tumura)=== |
| | + | {{JCampViewer|Yokukan_tumura.gz}} |
| | | | |
| − | [[Image:Glycyrrhizae_Radix_LC2.jpg]]
| + | ===Yokukansan (prepared in our Lab.)=== |
| − | {| class="wikitable" style="width:80%"
| + | {{JCampViewer|Yokukan_HM.gz}} |
| − | |-
| + | |
| − | | 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
| + | |
| − | |}
| + | |
| | | | |
| − | {| class="wikitable"
| + | ===Uncaria-free Yokukansan (prepared in our Lab.)=== |
| − | ! Retention Time (min) !! Compounds !!Molecular formula !!(M-H)- ions
| + | {{JCampViewer|Yokukan_UF.gz}} |
| − | |- | + | |
| − | ! 11.48
| + | ===Uncaria extract (prepared in our Lab.)=== |
| − | | [[Liquiritin]] || C<sub>21</sub>H<sub>22</sub>O<sub>9</sub> || 417.1191
| + | {{JCampViewer|Uncaria.gz}} |
| − | |-
| + | |
| − | ! 11.65
| + | |
| − | | [[Liquiritin apioside]] || C<sub>26</sub>H<sub>22</sub>O<sub>9</sub> || 549.1614 | + | |
| − | |-
| + | |
| − | ! 14.84
| + | |
| − | | [[Licorice glycoside E]] || C<sub>35</sub>H<sub>35</sub>NO<sub>14</sub> || 692.1985
| + | |
| − | |-
| + | |
| − | ! 16.28
| + | |
| − | | [[Licoricesaponin A3]] || C<sub>48</sub>H<sub>72</sub>O<sub>21</sub> || 983.4493
| + | |
| − | |-
| + | |
| − | ! 18.59
| + | |
| − | | [[Licoricesaponin E2]] || C<sub>42</sub>H<sub>60</sub>O<sub>16</sub> || 819.3809
| + | |
| − | |-
| + | |
| − | ! 18.71
| + | |
| − | | [[Licoricesaponin G2]] || C<sub>42</sub>H<sub>62</sub>O<sub>17</sub> || 837.3914
| + | |
| − | |-
| + | |
| − | ! 19.21
| + | |
| − | | [[Glycyrrhizin]] || C<sub>42</sub>H<sub>62</sub>O<sub>16</sub> || 821.3965
| + | |
| − | |-
| + | |
| − | ! 20.19
| + | |
| − | | [[Licoricesaponin H2]] || C<sub>42</sub>H<sub>62</sub>O<sub>16</sub> || 821.3965
| + | |
| − | |}
| + | |
