LCMS:Hochuekkito

From Metabolomics.JP
(Difference between revisions)
Jump to: navigation, search
 
(4 intermediate revisions by 2 users not shown)
Line 1: Line 1:
 +
{{LCMS/Header}}
 
== 2D-Mass chromatogram ==
 
== 2D-Mass chromatogram ==
[[Image:Hochuekkito_L_LC.jpg|thumb|600px|left|Mass chromatographic fingerprints of HET using Atractylodis Lanceae Rhizoma]]
+
[[Image:Hochuekkito_L_LC.jpg|thumb|left|425px|Mass chromatographic fingerprints of HET using Atractylodis Lanceae Rhizoma]]
 +
[[Image:Hochuekkito_LC.jpg|thumb|425px|Mass chromatographic fingerprints of HET using Atractylodis  Rhizoma]]
  
[[Image:Hochuekkito_LC.jpg|thumb|600px|left|Mass chromatographic fingerprints of HET using Atractylodis  Rhizoma]]
+
{{CrudeDrug/LCMS/Neg
 
+
|NInstrument =Shimadzu LC-IT-TOF MS ESI
{| class="wikitable" style="width:80%"
+
|NColumn    =Waters Atlantis T3 (2.1 mm x 150 mm)
|-
+
|NTemperature=40
| Instrument || Shimadzu LC-IT-TOF MS ESI (Negative ion mode)
+
|NSolventA  =5 mM Ammonium acetate solution
|-
+
|NSolventB  =acetonitrile
| Column || Waters Atlantis T3 (2.1 mm x 150 mm)
+
|NGradient  =10% to 100% Solvent B (0-30 min), 100% Solvent B (30-40 min)
|-
+
|NVoltage    =-3.5
| Column Temperature|| 40℃ 
+
|NCapillary  =200
|-
+
|NGas        =1.5
| 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
+
|}
+
  
 
{| class="wikitable"
 
{| class="wikitable"
! Retention Time (min) !! Compounds !!Molecular formula !!(M-H)- ions
+
! Retention Time (min) !! Compounds !!Origin!! Molecular formula !! (M-H)- ions
|-
+
{{#repeat:Mass/Fragmentation|5|{{{Fragmentation|}}}|&&}}
! 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
+
! {{{1|8.33}}}
| [[Licoricesaponin E2]] || C<sub>42</sub>H<sub>60</sub>O<sub>16</sub> || 819.3809
+
| [[{{{2|Trihydroxyflavone-diglucopyranoside}}}]] ||{{{3|Aurantii Nobilis}}} || {{{4|C27H29O15}}} || {{{5|593.1495}}}
 
|-
 
|-
! 16.12
+
! {{{1|8.59}}}
| [[Licorice glycoside E]] || C<sub>35</sub>H<sub>35</sub>NO<sub>14</sub> || 692.1985
+
| [[{{{2|Dihydroxyflavanone-glucopyranoside}}}]] ||{{{3|Glycyrrhizae}}} || {{{4|C21H21O9}}} || {{{5|417.1150}}}
 
|}
 
|}

Latest revision as of 16:22, 14 February 2011

LCMS
Data List
Names

[edit] 2D-Mass chromatogram

Mass chromatographic fingerprints of HET using Atractylodis Lanceae Rhizoma
Mass chromatographic fingerprints of HET using Atractylodis Rhizoma

[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 Origin Molecular formula (M-H)- ions
8.33 Trihydroxyflavone-diglucopyranoside Aurantii Nobilis C27H29O15 593.1495
8.59 Dihydroxyflavanone-glucopyranoside Glycyrrhizae C21H21O9 417.1150
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox