LCMS:Glycyrrhizae Radix

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=== 甘草水抽出物の2D-Mass chromatogram ===
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{{LCMS/Header}}
 +
{{CrudeDrug/TIC
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|TICFile=Glycyrrhizae LC-MS
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}}
 +
 
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{{CrudeDrug/LCMS/Pos
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|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)
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|PVoltage    =4.5
 +
|PCapillary  =200
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|PGas        =1.5
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}}
 +
 
 +
{{CrudeDrug/LCMS/Neg
 +
|NInstrument =Shimadzu LC-IT-TOF MS ESI
 +
|NColumn    =Waters Atlantis T3 (2.1 mm x 150 mm)
 +
|NTemperature=40
 +
|NSolventA  =5 mM Ammonium acetate solution
 +
|NSolventB  =acetonitrile
 +
|NGradient  =10% to 100% Solvent B (0-30 min), 100% Solvent B (30-40 min)
 +
|NVoltage    =-3.5
 +
|NCapillary  =200
 +
|NGas        =1.5
 +
}}
 +
 
 +
== 2D-Mass chromatogram (Condition 1) ==
 +
 
 
[[Image:Glycyrrhizae_Radix_LC1.jpg]]
 
[[Image:Glycyrrhizae_Radix_LC1.jpg]]
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{| class="wikitable" style="width:80%"
 
−
|-
 
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| Column || Waters Atlantis T3 (2.1 mm x 150 mm)
 
−
|-
 
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| Column Temperature|| 40℃ 
 
−
|-
 
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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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| Gradient || 5% to 100% Solvent B (0-30 min), 100% Solvent B (30-40 min)
 
−
|}
 
  
−
{| class="wikitable"
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{{CrudeDrug/LCMS/Neg
 +
|NInstrument =Shimadzu LC-IT-TOF MS ESI
 +
|NColumn    =Waters Atlantis T3 (2.1 mm x 150 mm)
 +
|NTemperature=40
 +
|NSolventA  =5 mM Ammonium acetate solution
 +
|NSolventB  =acetonitrile
 +
|NGradient  =10% to 100% Solvent B (0-30 min), 100% Solvent B (30-40 min)
 +
|NVoltage    =-3.5
 +
|NCapillary  =200
 +
|NGas        =1.5
 +
}}
  
 +
{| class="wikitable"
 
! Retention Time (min) !! Compounds !!Molecular formula !!(M-H)- ions
 
! Retention Time (min) !! Compounds !!Molecular formula !!(M-H)- ions
 
|-
 
|-
 
! 12.60
 
! 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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| [[Liquiritin]] || C<sub>21</sub>H<sub>22</sub>O<sub>9</sub> || 417.1191
 
|-
 
|-
 
! 12.85
 
! 12.85
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| Liquiritin apioside || C<sub>26</sub>H<sub>22</sub>O<sub>9</sub> || 417.1191
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| [[Liquiritin apioside]] || C<sub>26</sub>H<sub>22</sub>O<sub>9</sub> || 549.1614
 +
|-
 +
! 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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! 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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! 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
 +
|}
  
 +
{{JCampViewer|Glycyrrhizae_std_T3.JDX.gz}}
  
−
|}
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== 2D-Mass chromatogram (Condition 2) ==
  
 
[[Image:Glycyrrhizae_Radix_LC2.jpg]]
 
[[Image:Glycyrrhizae_Radix_LC2.jpg]]
−
{| class="wikitable" style="width:80%"
+
 
−
|-  
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{{CrudeDrug/LCMS/Neg
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| Column || Waters Symmetry C18(2.1 mm x 150 mm)
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|NInstrument =Shimadzu LC-IT-TOF MS ESI
 +
|NColumn    =Waters Symmetry C18 (2.1 mm x 150 mm)
 +
|NTemperature=40
 +
|NSolventA  =0.1% Formic acid solution
 +
|NSolventB  =acetonitrile
 +
|NGradient  =10% to 100% Solvent B (0-30 min), 100% Solvent B (30-40 min)
 +
|NVoltage    =-3.5
 +
|NCapillary  =200
 +
|NGas        =1.5
 +
}}
 +
 
 +
{| class="wikitable"
 +
! Retention Time (min) !! Compounds !!Molecular formula !!(M-H)- ions
 +
|-
 +
! 11.48
 +
| [[Liquiritin]] || C<sub>21</sub>H<sub>22</sub>O<sub>9</sub> || 417.1191
 +
|-
 +
! 11.65
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| [[Liquiritin apioside]] || C<sub>26</sub>H<sub>22</sub>O<sub>9</sub> || 549.1614
 +
|-
 +
! 14.84
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| [[Licorice glycoside E]] || C<sub>35</sub>H<sub>35</sub>NO<sub>14</sub> || 692.1985
 +
|-
 +
! 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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| Column Temperature|| 40℃ 
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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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| Solvent A || 0.1% Formic acid solution
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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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| Solvent B || acetonitrile
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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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| Gradient || 5% to 100% Solvent B (0-30 min), 100% Solvent B (30-40 min)
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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
 
|}
 
|}

Latest revision as of 12:39, 27 June 2011

LCMS
Data List 		Names

Contents

[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] 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

[edit] 2D-Mass chromatogram (Condition 1)

Glycyrrhizae Radix LC1.jpg

[edit] 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

[edit] 2D-Mass chromatogram (Condition 2)

Glycyrrhizae Radix LC2.jpg

[edit] 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
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