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Rauvolfia serpentina Species Overview

Experiment: MPGR

Sample Name HelpReplicates
Flower - Anthers, Buds, Immature (25-75%), Mature (Fully expanded), Ovaries, Petals, Young (<25% Expanded)3
Leaf - Bud; Immature (25-75%); Young leaf (<25% Expanded)3
Leaf - Mature (Fully Expanded)3
Root - Elongating zone (Young); lateral roots3
Root - Mature zone; primary tap3
Stem - Primary9

Platform: Rauvolfia LC/TOF MS Positive Ion

View Data Download Data Download Raw Data

+ LC-TOF Metadata
Protocol for LC-TOF
LabPIA. Daniel Jones
AnalystMary Dawn Celiz
LC systemProminence High Performace Liquid Chromatograph
ManufacturerShimadzu
DegasserDGU-20A5
Solvent DeliveryLC-20AD
System ControllerSCL-10AVP
AutosamplerSIL-50000
Column OvenCTO-20A
ColumnAscentis? Express C18 Analytical HPLC column, 5 cm x 0.21 cm, 2.7 ?m
Manufacturer of columnSupelco
Catalogue number53822-U
Serial numberUSMD002915
Packing Lot numberS09038
Injection volume10 ?L
Flow rate0.3 mL/min
Mobile phases
A10 mM ammonium formate in water, pH 2.85
BMethanol
Gradient ProfileGradient program started with 1% B- 99% A, held for one minute, increased to 10% B in two minutes, then 23% B in five minutes, 99% B in 15 minutes, held at 99 % B for three minutes, decreased to 1% B in one minute, held at 1% B for three minutes resultin
Column oven temperature50?C
Sample temperature in the autosampler10?C
Inlet method nameNIH_Rauv_OPT_AscExp_002
Aperture 1 voltage
Function 120 V
Function 240 V
Function 360 V
Function 480 V
MS method fileMDC_RVF_pos or MDC_RVF_neg
Manipulation of data
Lock massTelmisartan was used as lock mass standard.

+ MarkerLynx Metadata
Protocol for MarkerLynx
PolarityPositive
Function1
Initial Retention Time (min)0.35
Final Retention Time (min)18
Low Mass50
High Mass1500
Mass Tolerance (Da)0.05
Apex Track Peak Parameters
Peak Width at 5% Height (seconds)25
Peak-to-Peak Baseline Noise25
Collection Parameters
Masses per Retention Time20
Minimum Intensity ( as a percentage of the ba10
Mass Window (Da)0.09
Retention Time Window (min)0.4
Noise Elimintation Level10
Deisotope DataYES

+ QuanLynx Metadata
Protocol for QuanLynx
PolarityPositive
Include Primary Trace in ResponseYES
Use absolute mass windowYES
Response TypeExternal (absolute)
Response UsesArea
Concentration of Standard (?M)0.1, 0.5, 1, 2.5, 5, 10
Retention Time Parameters
Locate Peak UsingRetention Time
Retention Time Window (min) ?0.5
Locate Peak SelectionLargest
Calibration Properties
Polynomial TypeLinear
OriginForce; (for Serpentine: exclude)
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
Ajmalicine
Quantification Trace353.1865
Predicted Retention Time (min)9.55
Acquisition Function Number2
Chromatogram Mass Window (Da)0.05
Ajmaline
Quantification Trace327.2073
Predicted Retention Time (min)7.41
Acquisition Function Number4
Chromatogram Mass Window (Da)0.05
Deserpidine
Quantification Trace579.2706
Predicted Retention Time (min)14.47
Acquisition Function Number1
Chromatogram Mass Window (Da)0.14
Loganic Acid
Quantification Trace215.0919
Predicted Retention Time (min)4.74
Acquisition Function Number2
Chromatogram Mass Window (Da)0.05
Loganin
Quantification Trace408.187
Predicted Retention Time (min)6.94
Acquisition Function Number1
Chromatogram Mass Window (Da)0.05
Rescinnamine
Quantification Trace635.2969
Predicted Retention Time (min)14.82
Acquisition Function Number4
Chromatogram Mass Window (Da)0.05
Reserpine
Quantification Trace609.2812
Predicted Retention Time (min)14.43
Acquisition Function Number4
Chromatogram Mass Window (Da)0.05
Secologanin
Quantification Trace389.1448
Predicted Retention Time (min)7.59
Acquisition Function Number1
Chromatogram Mass Window (Da)0.06
Serpentine
Quantification Trace349.1552
Predicted Retention Time (min)10.89
Acquisition Function Number3
Chromatogram Mass Window (Da)0.05
Tetrahydroalstonine
Quantification Trace353.1865
Predicted Retention Time (min)9.99
Acquisition Function Number1
Chromatogram Mass Window (Da)0.05
Tryptamine
Quantification Trace144.0813
Predicted Retention Time (min)2.68
Acquisition Function Number1
Chromatogram Mass Window (Da)0.05
Yohimbine
Quantification Trace355.2022
Predicted Retention Time (min)7.71
Acquisition Function Number1
Chromatogram Mass Window (Da)0.05
Help

Sample 1:

Sample 2:

Metabolite Search


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Chemically defined metabolites in this experiment:

12-Hydroxyajmaline
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-343.193-6.47
    [2M+H]+ MDC-Rau-HPLC-E-POS-F1-685.4-6.44
12-Methoxyvellosimine
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-323.172-9.51
17-O-Acetylajmaline
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-369.211-11.52
18-Hydroxyepialloyohimbine
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-371.195-7.62
Ajmalan-17-one,19,20-didehydro-12-methoxy-
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-337.189-9.18
Ajmalicine
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-353.179-9.46
Ajmaline
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-327.203-7.16
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-327.206-7.69
    [2M+H]+ MDC-Rau-HPLC-E-POS-F1-653.403-7.19
Arginine
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-175.122-0.44
Carapanaubine
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-429.206-6.99
Chlorogenic acid
    fragment MDC-Rau-HPLC-E-POS-F1-163.039-3.81
    fragment MDC-Rau-HPLC-E-POS-F1-163.04-3.35
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-355.098-3.79
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-355.104-3.38
    [M+Na]+ MDC-Rau-HPLC-E-POS-F1-377.083-3.33
    [M+Na]+ MDC-Rau-HPLC-E-POS-F1-377.085-3.83
    [M+K]+ MDC-Rau-HPLC-E-POS-F1-393.062-3.33
    [M+K]+ MDC-Rau-HPLC-E-POS-F1-393.063-3.79
    [2M+Na]+ MDC-Rau-HPLC-E-POS-F1-731.185-3.77
Dehydrorescinnamine
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-633.284-14.65
Dehydroreserpine
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-607.27-14.18
Deserpidine
    [2M+Na]+ MDC-Rau-HPLC-E-POS-F1-1179.513-14.46
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-579.26-14.41
Kaempferol hexoside
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-449.11-9.56
Kaempferol hexoside dirhamnoside
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-741.232-10.02
Kaempferol hexoside dirhamnoside isomer 1
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-741.133-9.41
Kaempferol hexoside dirhamnoside isomer 2
    fragment MDC-Rau-HPLC-E-POS-F1-287.056-9.59
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-741.201-9.49
Kaempferol hexoside trirhamnoside
    fragment MDC-Rau-HPLC-E-POS-F1-433.111-7.79
    fragment MDC-Rau-HPLC-E-POS-F1-595.164-7.79
    fragment MDC-Rau-HPLC-E-POS-F1-741.22-7.79
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-887.275-7.78
Lochnerine
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-325.193-8.97
Loganic acid
    fragment MDC-Rau-HPLC-E-POS-F1-179.07-4.66
    fragment MDC-Rau-HPLC-E-POS-F1-179.072-4.24
    fragment MDC-Rau-HPLC-E-POS-F1-197.081-4.66
    fragment MDC-Rau-HPLC-E-POS-F1-197.085-4.28
    fragment MDC-Rau-HPLC-E-POS-F1-215.092-4.68
    fragment MDC-Rau-HPLC-E-POS-F1-215.094-4.32
    fragment MDC-Rau-HPLC-E-POS-F1-359.133-4.22
    fragment MDC-Rau-HPLC-E-POS-F1-359.137-4.64
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-377.145-4.69
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-377.147-4.31
    [M+NH4]+ MDC-Rau-HPLC-E-POS-F1-394.167-4.67
    [M+NH4]+ MDC-Rau-HPLC-E-POS-F1-394.171-4.31
    [2M+NH4]+ MDC-Rau-HPLC-E-POS-F1-770.31-4.69
Loganin
    fragment MDC-Rau-HPLC-E-POS-F1-179.065-6.92
    fragment MDC-Rau-HPLC-E-POS-F1-211.092-6.93
    fragment MDC-Rau-HPLC-E-POS-F1-229.108-6.93
    [M+NH4]+ MDC-Rau-HPLC-E-POS-F1-408.183-6.9
Pseudoreserpine
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-595.266-12.24
Raucaffricine
    [2M+Na]+ MDC-Rau-HPLC-E-POS-F1-1047.421-8.65
    fragment MDC-Rau-HPLC-E-POS-F1-351.168-8.54
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-513.222-8.69
Raunescine
    [2M+H]+ MDC-Rau-HPLC-E-POS-F1-1129.501-12.16
    [2M+Na]+ MDC-Rau-HPLC-E-POS-F1-1151.49-12.17
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-565.256-12.1
Rescinnamine
    [2M+H]+ MDC-Rau-HPLC-E-POS-F1-1269.596-14.79
    [2M+Na]+ MDC-Rau-HPLC-E-POS-F1-1291.58-14.84
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-635.24-14.78
Reserpiline
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-413.203-7.32
Reserpine
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-609.241-14.39
Sarpagine
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-311.177-4.04
Secologanin
    fragment MDC-Rau-HPLC-E-POS-F1-165.055-7.57
    fragment MDC-Rau-HPLC-E-POS-F1-209.08-7.57
    fragment MDC-Rau-HPLC-E-POS-F1-227.091-7.57
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-389.142-7.58
    [M+Na]+ MDC-Rau-HPLC-E-POS-F1-411.125-7.57
Serpentine
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-349.152-10.74
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-349.156-11.26
    [2M+H]+ MDC-Rau-HPLC-E-POS-F1-697.302-10.73
Strictosidine
    [2M+H]+ MDC-Rau-HPLC-E-POS-F1-1061.464-10.11
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-531.22-10.25
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-531.235-9.98
sucrose
    [M+K]+ MDC-Rau-HPLC-E-POS-F1-381.085-0.44
Tetra phyllicine
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-309.196-4.73
Tetrahydroalstonine
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-353.186-9.82
Tryptamine
    fragment MDC-Rau-HPLC-E-POS-F1-144.083-2.03
Vellosimine
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-293.16-6.16
Vellosiminol
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-295.179-5.89
Vomilenene
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-351.174-9.13
Yohimbine
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-355.193-7.52
Yohimbine isomer
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-355.178-8.52
    [M+H]+ MDC-Rau-HPLC-E-POS-F1-355.197-8.91