LCMS:Glycyrrhizae Radix

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{{CrudeDrug/TIC
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|TICFile=Glycyrrhizae LC-MS
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}}
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== 2D-Mass chromatogram (Condition 1) ==
 
== 2D-Mass chromatogram (Condition 1) ==
 
[[Image:Glycyrrhizae_Radix_LC1.jpg]]
 
[[Image:Glycyrrhizae_Radix_LC1.jpg]]
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| Gradient || 10% to 100% Solvent B (0-30 min), 100% Solvent B (30-40 min)
 
| Gradient || 10% to 100% Solvent B (0-30 min), 100% Solvent B (30-40 min)
 
|-
 
|-
−
| Source voltage || – 3.5 kV
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| Source voltage || ? 3.5 kV
 
|-
 
|-
 
| Capillary temperature || 200 °C
 
| Capillary temperature || 200 °C
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| Gradient || 10% to 100% Solvent B (0-30 min), 100% Solvent B (30-40 min)
 
| Gradient || 10% to 100% Solvent B (0-30 min), 100% Solvent B (30-40 min)
 
|-
 
|-
−
| Source voltage || – 3.5 kV
+
| Source voltage || ? 3.5 kV
 
|-
 
|-
 
| Capillary temperature || 200 °C
 
| Capillary temperature || 200 °C
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|}
 
|}
  
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==TIC==
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{{CrudeDrug/LCMS/Pos
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[[Image:Glycyrrhizae LC-MS.jpg|thumb|700px|center|LC-MS TIC of extracts]]
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|PInstrument =Shimadzu LC-IT-TOF MS ESI
−
 
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|PColumn    =Waters Atlantis T3 (2.1 mm x 100 mm, 3 micron)
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==Analytical conditions==
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|PTemperature=40
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{| class="wikitable" style="width:80%"
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|PSolventA  =5 mM Ammonium acetate solution
−
|-
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|PSolventB  =acetonitrile
−
| Instrument || Shimadzu LC-IT-TOF MS ESI (Positive ion mode)
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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
−
| Column || Waters Atlantis T3 (2.1 mm x 100 mm, 3 micron)
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|PCapillary  =200
−
|-
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|PGas        =1.5
−
| Column Temperature|| 40℃ 
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}}
−
|-
+
−
| 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
+
−
|}
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−
 
+
−
{| class="wikitable" style="width:80%"
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−
|-
+
−
| Instrument || Shimadzu LC-IT-TOF MS ESI (Negative ion mode)
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−
|-
+
−
| 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
+
−
|}
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−
 
+
−
 
+
−
 
+
−
 
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−
==LC-MS raw data==
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===Glycyrrhizae Radix LC-MS===
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{{CrudeDrug/LCMS/Neg
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{{JCampViewer|Glycyrrhizae LC-MS.gz}}
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|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
 +
}}

Revision as of 17:11, 10 February 2011

Contents

TIC

LC-MS TIC of extracts

2D-Mass chromatogram (Condition 1)

Glycyrrhizae Radix LC1.jpg

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)

Glycyrrhizae Radix LC2.jpg

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

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

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
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