LCMS:Yokukansan

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== Yokukansan LC-MS Data ==
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{{LCMS/Header}}
[[Image:Yokukann1.jpg|thumb|600px|left]]
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{{CrudeDrug/TIC
{| class="wikitable" style="width:80%"
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|TICFile=Yokukann_rev
|-
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}}
| Instrument || Shimadzu LC-IT-TOF MS ESI (Positive ion mode)
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|-
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| Column || Waters Atlantis T3 (2.1 mm x 100 mm, 3 micron)
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|-
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| Column Temperature|| 40℃ 
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|-
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| Solvent A || 5 mM Ammonium acetate solution
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|-
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| Solvent B || acetonitrile
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|-
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| Gradient || 10% to 100% Solvent B (0-30 min), 100% Solvent B (30-40 min)
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|-
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| Source voltage ||  4.5 kV
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|-
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| Capillary temperature || 200 °C
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|-
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| Nebulizer gas || 1.5 l/min
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|}
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{| class="wikitable"
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{{CrudeDrug/TIC
! Retention Time (min) !! Compounds !!Molecular formula !!(M-H)- ions
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|TICFile=Yokukann2
|-
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}}
! 12.60
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| [[Liquiritin]] || C<sub>21</sub>H<sub>22</sub>O<sub>9</sub> || 417.1191
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|-
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! 12.85
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| [[Liquiritin apioside]] || C<sub>26</sub>H<sub>22</sub>O<sub>9</sub> || 549.1614
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|-
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! 13.41
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| [[Licoricesaponin G2]] || C<sub>42</sub>H<sub>62</sub>O<sub>17</sub> || 837.3914
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|-
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! 14.10
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| [[Glycyrrhizin]] || C<sub>42</sub>H<sub>62</sub>O<sub>16</sub> || 821.3965
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|-
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! 14.26
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| [[Licoricesaponin A3]] || C<sub>48</sub>H<sub>72</sub>O<sub>21</sub> || 983.4493
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|-
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! 14.47
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| [[Licoricesaponin H2]] || C<sub>42</sub>H<sub>62</sub>O<sub>16</sub> || 821.3965
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|-
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! 14.92
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| [[Licoricesaponin E2]] || C<sub>42</sub>H<sub>60</sub>O<sub>16</sub> || 819.3809
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|-
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! 16.12
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| [[Licorice glycoside E]] || C<sub>35</sub>H<sub>35</sub>NO<sub>14</sub> || 692.1985
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|}
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{{JCampViewer|Glycyrrhizae_std_T3.JDX.gz}}
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{{CrudeDrug/LCMS/Pos
 +
|PInstrument =Shimadzu LC-IT-TOF MS ESI
 +
|PColumn    =Waters Atlantis T3 (2.1 mm x 100 mm, 3 micron)
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|PTemperature=40
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|PSolventA  =5 mM Ammonium acetate solution
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|PSolventB  =acetonitrile
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|PGradient  =10% to 100% Solvent B (0-30 min), 100% Solvent B (30-40 min)
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|PVoltage    =4.5
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|PCapillary  =200
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|PGas        =1.5
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}}
  
 +
==LC-MS raw data==
  
== 2D-Mass chromatogram (Condition 2) ==
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===Yokukansan (Tumura)===
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{{JCampViewer|Yokukan_tumura.gz}}
  
[[Image:Glycyrrhizae_Radix_LC2.jpg]]
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===Yokukansan (prepared in our Lab.)===
{| class="wikitable" style="width:80%"
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{{JCampViewer|Yokukan_HM.gz}}
|-
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| Instrument || Shimadzu LC-IT-TOF MS ESI (Negative ion mode)
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|-
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| Column || Waters Symmetry C18(2.1 mm x 150 mm)
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|-
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| Column Temperature|| 40℃ 
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|-
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| Solvent A || 0.1% Formic acid solution
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|-
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| Solvent B || acetonitrile
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|-
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| Gradient || 10% to 100% Solvent B (0-30 min), 100% Solvent B (30-40 min)
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|-
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| Source voltage || – 3.5 kV
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|-
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| Capillary temperature || 200 °C
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|-
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| Nebulizer gas || 1.5 l/min
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|}
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{| class="wikitable"
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===Uncaria-free Yokukansan (prepared in our Lab.)===
! Retention Time (min) !! Compounds !!Molecular formula !!(M-H)- ions
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{{JCampViewer|Yokukan_UF.gz}}
|-
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! 11.48
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===Uncaria extract (prepared in our Lab.)===
| [[Liquiritin]] || C<sub>21</sub>H<sub>22</sub>O<sub>9</sub> || 417.1191
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{{JCampViewer|Uncaria.gz}}
|-
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! 11.65
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| [[Liquiritin apioside]] || C<sub>26</sub>H<sub>22</sub>O<sub>9</sub> || 549.1614
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|-
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! 14.84
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| [[Licorice glycoside E]] || C<sub>35</sub>H<sub>35</sub>NO<sub>14</sub> || 692.1985
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|-
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! 16.28
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| [[Licoricesaponin A3]] || C<sub>48</sub>H<sub>72</sub>O<sub>21</sub> || 983.4493
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|-
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! 18.59
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| [[Licoricesaponin E2]] || C<sub>42</sub>H<sub>60</sub>O<sub>16</sub> || 819.3809
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|-
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! 18.71
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| [[Licoricesaponin G2]] || C<sub>42</sub>H<sub>62</sub>O<sub>17</sub> || 837.3914
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|-
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! 19.21
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| [[Glycyrrhizin]] || C<sub>42</sub>H<sub>62</sub>O<sub>16</sub> || 821.3965
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|-
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! 20.19
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| [[Licoricesaponin H2]] || C<sub>42</sub>H<sub>62</sub>O<sub>16</sub> || 821.3965
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|}
+

Latest revision as of 19:55, 16 March 2011

LCMS
Data List
Names

Contents

[edit] TIC

LC-MS TIC of extracts

[edit] TIC

LC-MS TIC of extracts

[edit] 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

[edit] LC-MS raw data

[edit] Yokukansan (Tumura)

[edit] Yokukansan (prepared in our Lab.)

[edit] Uncaria-free Yokukansan (prepared in our Lab.)

[edit] Uncaria extract (prepared in our Lab.)

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