Panax quinquefolius Species Overview

Experiment: MPGR

Sample Name HelpReplicates
Plant(1 year)4

Platform: Panax LC/TOF MS Positive Ion

View Data Download Data Download Raw Data

+ LC-TOF Metadata
Protocol for LC-TOF
LabPIProf. A. Daniel Jones
AnalystBanibrata Ghosh
LC systemProminence Liquid Chromatograph (High Performance)
Solvent DeliveryLC-20AD
System ControllerSCL-10AVP
Column OvenCTO-20A
ColumnAscentis Express C18 Analytical HPLC column, 5 cm x 0.21 cm, 2.7 ?m
Manufacturer of columnSupelco (Sigma-Aldrich)
Catalogue number53822-U
Serial numberUSMD003562
Packing Lot numberS10035
Injection volume10 ?L
Flow rate0.3 mL/min
Gradient ProfileGradient program started with 1% B- 99% A, held for one minute, increased to 15% B-85%A in four minutes, then 70% B-30%A in 18 minutes, then 100% B in 24 minutes, held at 100% B for 4 minutes. decreased to 1% B-99%A in one minute and held at 1% B-99% A
Column oven temperature50?C
Sample temperature in the autosampler10?C
Inlet method nameGinseng_AscExpC18_30min_a
Mass SpectrometerMicromass? LCT PremierTM time-of-flight (TOF) mass spectrometer
SoftwareMassLynxTM Version 4.1
Ionization sourceElectrospray ionization (ESI)
Data acquisitionW mode, centroid, with dynamic range extension
Mass Rangem/z 50-1500
MS method fileGinseng_30min_ESIPOS
Sample handling100 uL of each sample was evaporated in centrifuge tubes under vacuum and reconsituted in 50 ?L of MeOH and 50 uL of MiliQ Water and sonicated for 10 minutes. The samples were spiked with 4.5 uL 12 uM telmisartan (approximately 0.5 uM final concentration)
Sample storage temperature-20?C
Protocol when analyzing the samplesBefore each set of analyses, the mass axis of the mass spectrometer was calibrated using 0.1% phosphoric acid. After column equilibration, one methanol/water (1/1 v/v) blank injection was performed. Standard solutions (0.2, 4, 10 and 50 ?M) were injected
Mobile phases
A10 mM Ammonium formate in water (pH 2.91)
BAcetonitrile/Methanol (9/1 v/v)
Aperture 1 voltage
Function 120 V
Function 235 V
Function 350 V
Function 465 V
Function 580 V
Manipulation of data
Lock massTelmisartan was used as lock mass standard.

+ MarkerLynx Metadata
Protocol for MarkerLynx
Apex Track Peak Parameters
Peak Width at 5% Height (seconds)14
Peak-to-Peak Baseline Noise20
Collection Parameters
Masses per Retention Time20
Minimum Intensity ( as a percentage of the ba15
Mass Window (Da)0.05
Retention Time Window (min)0.3
Noise Elimination LevelAutomatic
Deisotope DataYES

+ QuanLynx Metadata
Protocol for QuanLynx
Include Primary Trace in ResponseYES
Use absolute mass windowYES
Chromatogram Mass Window (Da)0.05
Response TypeExternal (absolute)
Response UsesArea
Acquisition Function Number1
Concentration of Standard (?M)0.4, 2, 10, 50
Initial Retention Time (min)0.2
Final Retention Time (min)21
Low Mass50
High Mass1500
Mass Tolerance (Da)0.05
Retention Time Parameters
Locate Peak UsingRetention Time
Retention Time Window (min) ?0.2
Locate Peak SelectionLargest
Calibration Properties
Polynomial TypeLinear
Weighing Function1/X
Axis TransformationNone
Concentration Units?M
Integration Properties
Smoothing EnabledYES
Smooth Parameters
Smoothing MethodMean
Smooting Iterations1
Smoothing Width2
Apex Track EnablesNO
Apex Track Parameters
Peak-to-Peak Baseline NoiseAutomatic
Peak width at 5% heightAutomatic

Sample 1:

Sample 2:

Metabolite Search


Chemically defined metabolites in this experiment:

Ginsenoside Rb1
    [M+H]+ BG-Pan-HPLC-E-POS-F1-1109.631-10.61
    [M+NH4]+ BG-Pan-HPLC-E-POS-F1-1126.654-10.61
    [M+Na]+ BG-Pan-HPLC-E-POS-F1-1131.614-10.56
Ginsenoside Rb3
    [M+H]+ BG-Pan-HPLC-E-POS-F1-1079.622-11.17
    [M+NH4]+ BG-Pan-HPLC-E-POS-F1-1096.649-11.22
Ginsenoside Rc
    [M+H]+ BG-Pan-HPLC-E-POS-F1-1079.619-10.85
    [M+NH4]+ BG-Pan-HPLC-E-POS-F1-1096.645-10.86
    [M+Na]+ BG-Pan-HPLC-E-POS-F1-1101.597-10.86
Ginsenoside Rd
    [M+H]+ BG-Pan-HPLC-E-POS-F1-947.578-11.7
    [M+NH4]+ BG-Pan-HPLC-E-POS-F1-964.604-11.7
Ginsenoside Re
    fragment BG-Pan-HPLC-E-POS-F1-423.358-7.99
    [M+H]+ BG-Pan-HPLC-E-POS-F1-947.573-7.99
    [M+NH4]+ BG-Pan-HPLC-E-POS-F1-964.588-8.06
    [M+Na]+ BG-Pan-HPLC-E-POS-F1-969.558-8.01
Ginsenoside Rg1
    [M+H]+ BG-Pan-HPLC-E-POS-F1-801.509-8.06
    [M+Na]+ BG-Pan-HPLC-E-POS-F1-823.488-8.04
Ginsenoside Rg2
    [M+H-2H2O]+ BG-Pan-HPLC-E-POS-F1-749.493-10.41
    [M+H-H2O]+ BG-Pan-HPLC-E-POS-F1-767.505-10.44
Ginsenoside Rg4
    [M+H]+ BG-Pan-HPLC-E-POS-F1-767.507-7.98
Ginsenoside Rh1
    [2M+H]+ BG-Pan-HPLC-E-POS-F1-1277.908-10.49
    [M+H-2H2O]+ BG-Pan-HPLC-E-POS-F1-603.433-10.49
    [M+H-H2O]+ BG-Pan-HPLC-E-POS-F1-621.442-10.5
Ginsenoside Rh2
    [M+H-2H2O]+ BG-Pan-HPLC-E-POS-F1-587.439-16.65
Ginsenoside Ro
    [M+NH4]+ BG-Pan-HPLC-E-POS-F1-974.519-10.8
    [M+H]+ BG-Pan-HPLC-E-POS-F1-611.166-5.11
    [M+H-3H2O]+ BG-Pan-HPLC-E-POS-F1-407.369-20.1
    [M+H-2H2O]+ BG-Pan-HPLC-E-POS-F1-425.381-20.08
    [M+H-H2O]+ BG-Pan-HPLC-E-POS-F1-443.388-20.09
    [2M+H]+ BG-Pan-HPLC-E-POS-F1-921.799-20.09
Pseudoginsenoside F11: (Isomer III)
    [M+H]+ BG-Pan-HPLC-E-POS-F1-801.48-10
Pseudoginsenoside F11: Isomer I
    [M+H]+ BG-Pan-HPLC-E-POS-F1-801.485-8.43
    [M+Na]+ BG-Pan-HPLC-E-POS-F1-823.485-8.45
Pseudoginsenoside F11: Isomer III
    [M+Na]+ BG-Pan-HPLC-E-POS-F1-823.496-10.05
Pseudoginsenoside F11: Isomer II
    [M+H]+ BG-Pan-HPLC-E-POS-F1-801.5-9.04
Pseudoginsenoside RT5
    [M+H]+ BG-Pan-HPLC-E-POS-F1-655.437-10.08
Quinquenoside L9
    [M+H-H2O]+ BG-Pan-HPLC-E-POS-F1-801.484-6.64
    [M+H]+ BG-Pan-HPLC-E-POS-F1-819.492-6.63
    [M+Na]+ BG-Pan-HPLC-E-POS-F1-365.117-0.44
    [M+K]+ BG-Pan-HPLC-E-POS-F1-381.083-0.43
Telmisartan - internal standard
    [2M+H]+ BG-Pan-HPLC-E-POS-F1-1029.492-10.98
    [M+H]+ BG-Pan-HPLC-E-POS-F1-515.244-10.93
Yesanchinoside R2
    [M+H]+ BG-Pan-HPLC-E-POS-F1-787.472-9.85