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Hoodia gordonii Species Overview

Experiment: MPGR

Sample Name HelpReplicates
Primary stem - pith6
Primary stem - spines7

Platform: Hoodia LC/TOF MS Positive Ion

View Data Download Data Download Raw Data

+ LC-TOF Metadata
Protocol for LC-TOF
LabPIA. Daniel Jones
AnalystPrabodha Ekanayaka
LC systemProminence Liquid Chromatograph (High Performance)
ManufacturerShimadzu
DegasserDGU-20A5
Solvent DeliveryLC-20AD
System ControllerSCL-10AVP
AutosamplerSIL-5000
Column OvenCTO-20A
ColumnAscentis Express C18 Analytical HPLC column, 5 cm x 0.21 cm, 2.7 ?m
Manufacturer of columnSupelco Analytical
Catalogue number53822-U
Serial numberUSMD003951
Packing Lot numberS11001
Injection volume10 ?L
Flow rate0.3mL/min
Mobile phases
A10 mM Ammonium formate, adjusted to pH 2.55 with formic acid
BAcetonitrile
Gradient ProfileGradient program started with 1% B- 99% A, held for one minute, increased to 30% B at three minutes, then 70% B at 31 minutes, then 100% B at 31.01 minutes, held at 100 % B until 33 minutes, decreased to 1% B at 33.01 minutes, held at 1% B. Total run tim
Column oven temperature50?C
Sample temperature in the autosampler10?C
Inlet method nameHooda Inlet method_40min_07182011
Mass SpectrometerMicromass? LCT PremierTM time-of-flight (TOF) mass spectrometer
ManufacturerWaters
SoftwareMassLynxTM Version 4.1
Ionization sourceElectrospray ionization (ESI)
Data acquisitionW mode, centroid
PolarityPositive
Mass Rangem/z 50-1400
Aperture 1 voltage
Function 15 V
Function 220 V
Function 340 V
Function 460 V
Function 580 V
MS method fileHoodia MS method (+) 40min 18072011
Sample handlingAliquots (100 ?L) of the extracts delivered to MSU were transferred into 200 ?L glass inserts, and the inserts were placed into microcentrifuge tubes. Solvent was evaporated under vacuum at room temperature in a SpeedVac, and residues were reconstituted
Sample storage temperature-20?C
Protocol when analyzing samplesBefore analysis of each batch of samples, the mass scale of the mass spectrometer was calibrated using infusion of 0.1% aqueous phosphoric acid. After column equilibration, one methanol/water (50/50 v/v) injection was performed. Standard solutions (0.25,
Manipulation of data
Lock massTelmisartan was used as lock mass reference standard.

+ MarkerLynx Metadata
Apex Track Peak Parameters
Peak Width at 5% Height (seconds)18
Peak-to-Peak Baseline Noise0.02
Collection Parameters
Masses per Retention Time15
Minimum Intensity ( as a percentage of the ba0.02
Mass Window (Da)0.05
Retention Time Window (min)0.4
Noise Elimintation LevelAutomatic
Deisotope DataYES

+ QuanLynx Metadata
Protocol for QuanLynx
PolarityPositive
Retention Time Parameters
Locate Peak UsingRetention Time
Retention Time Window (min) ?0.3
Locate Peak SelectionLargest
Calibration Properties
Polynomial TypeLinear
OriginForce
Weighing Function1/X
Axis TransformationNone
Concentration Units?M
Integration Properties
Smoothing EnabledYES
Smooth Parameters
Smoothing MethodMean
Smooting Iterations2
Smoothing Width1
Apex Track EnabledYES
Apex Track Parameters
Peak-to-Peak Baseline NoiseAutomatic
Peak width at 5% heightAutomatic
Hoodigoside A NH4 Adduct
Quantification Trace752.42
Predicted Retention Time (min)14.91
Hoodigoside B NH4 Adduct
Quantification Trace912.4976
Predicted Retention Time (min)14.73
Hoodigoside CW NH4 Adduct
Quantification Trace1040.58
Predicted Retention Time (min)20.56
Hoodigoside D NH4 Adduct
Quantification Trace1056.57
Predicted Retention Time (min)9.38
Hoodigoside E NH4 Adduct
Quantification Trace1082.5465
Predicted Retention Time (min)12.61
Hoodigoside FG NH4 Adduct
Quantification Trace1202.63
Predicted Retention Time (min)14.77
Hoodigoside HI NH4 Adduct
Quantification Trace1186.63
Predicted Retention Time (min)8.41
Hoodigoside J NH4 Adduct
Quantification Trace1172.6363
Predicted Retention Time (min)9.54
Hoodigoside K NH4 Adduct
Quantification Trace916.4562
Predicted Retention Time (min)7.3
Hoodigoside L NH4 Adduct
Quantification Trace1224.6033
Predicted Retention Time (min)9.4
Hoodigoside M NH4 Adduct
Quantification Trace1142.5614
Predicted Retention Time (min)4.53
Hoodigoside N NH4 Adduct
Quantification Trace658.40299
Predicted Retention Time (min)10.635
Hoodigoside O NH4 Adduct
Quantification Trace1062.5505
Predicted Retention Time (min)11.29
Hoodigoside P NH4 Adduct
Quantification Trace1208.6084
Predicted Retention Time (min)12.65
Hoodigoside Q NH4 Adduct
Quantification Trace1368.681977
Predicted Retention Time (min)11.06
Hoodigoside R NH4 Adduct
Quantification Trace1352.687
Predicted Retention Time (min)14.403
Hoodigoside T NH4 Adduct
Quantification Trace1334.7129
Predicted Retention Time (min)21.01
Hoodigoside V NH4 Adduct
Quantification Trace900.48
Predicted Retention Time (min)14.58
Hoodigoside X NH4 Adduct
Quantification Trace814.46091
Predicted Retention Time (min)8.03
Hoodigoside Y NH4 Adduct
Quantification Trace818.45582
Predicted Retention Time (min)6.24
Hoodigoside Z NH4 Adduct
Quantification Trace1026.5763
Predicted Retention Time (min)17.62
Godrinoside H
Quantification Trace1058.555
Predicted Retention Time (min)13.605
Hoodigoside N potasium Adduct
Quantification Trace677.3312
Predicted Retention Time (min)10.635
Hoodigoside N protonated
Quantification Trace639.3875
Predicted Retention Time (min)10.635
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)0.25, 1,4,20
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Sample 1:

Sample 2:

Metabolite Search


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Chemically defined metabolites in this experiment:

Gordonoside D, isomer 1
    [M+NH4]+ EAPE-Hg-HPLC-E-POS-F1-1010.66_19.65
Gordonoside D, isomer 2
    [M+NH4]+ EAPE-Hg-HPLC-E-POS-F1-1010.69_20.59
Gordonoside D, isomer 3
    [M+NH4]+ EAPE-Hg-HPLC-E-POS-F1-1010.7_23.44
Gordonoside H
    [M+NH4]+ EAPE-Hg-HPLC-E-POS-F1-1058.68_13.52
Gordonoside I
    [M+NH4]+ EAPE-Hg-HPLC-E-POS-F1-1154.69_20.94
Hoodigoside A
    [M+NH4]+ EAPE-Hg-HPLC-E-POS-F1-752.41_4.59
Hoodigoside B
    [M+NH4]+ EAPE-Hg-HPLC-E-POS-F1-912.5_4.35
Hoodigoside C or W, Gordonside B or C
    [M+NH4]+ EAPE-Hg-HPLC-E-POS-F1-1040.71_21.76
Hoodigoside D
    [M+NH4]+ EAPE-Hg-HPLC-E-POS-F1-1056.7_17.43
Hoodigoside F and Hoodigoside G
    [M+NH4]+ EAPE-Hg-HPLC-E-POS-F1-1202.72_15.72
Hoodigoside H and Hoodigoside I
    [M+NH4]+ EAPE-Hg-HPLC-E-POS-F1-1186.68_19.39
Hoodigoside J
    [M+NH4]+ EAPE-Hg-HPLC-E-POS-F1-1172.76_17.34
Hoodigoside K
    [M+NH4]+ EAPE-Hg-HPLC-E-POS-F1-916.57_7.27
Hoodigoside L isomer 1
    [M+NH4]+ EAPE-Hg-HPLC-E-POS-F1-1224.64_9.28
Hoodigoside L isomer 2
    [M+NH4]+ EAPE-Hg-HPLC-E-POS-F1-1224.64_10.08
Hoodigoside M
    [M+NH4]+ EAPE-Hg-HPLC-E-POS-F1-1142.59_4.51
Hoodigoside O
    [M+NH4]+ EAPE-Hg-HPLC-E-POS-F1-1062.56_11.2
Hoodigoside P isomer 1
    [M+NH4]+ EAPE-Hg-HPLC-E-POS-F1-1208.74_12.53
Hoodigoside P isomer 2
    [M+NH4]+ EAPE-Hg-HPLC-E-POS-F1-1208.75_13.44
Hoodigoside Q
    [M+NH4]+ EAPE-Hg-HPLC-E-POS-F1-1368.84_10.97
Hoodigoside R isomer 1
    [M+NH4]+ EAPE-Hg-HPLC-E-POS-F1-1352.84_14.37
Hoodigoside R isomer 2
    [M+NH4]+ EAPE-Hg-HPLC-E-POS-F1-1352.79_15.52
Hoodigoside T isomer 1
    [M+NH4]+ EAPE-Hg-HPLC-E-POS-F1-1334.85_21.02
Hoodigoside T isomer 2
    [M+NH4]+ EAPE-Hg-HPLC-E-POS-F1-1334.86_22.11
Hoodigoside V
    [M+NH4]+ EAPE-Hg-HPLC-E-POS-F1-900.59_18.63
Hoodigoside Z
    [M+NH4]+ EAPE-Hg-HPLC-E-POS-F1-1044.66_11.21
Hoodistanaloside A
    [M+NH4]+ EAPE-Hg-HPLC-E-POS-F1-932.48_3.92
Hoodistanaloside B
    [M+NH4]+ EAPE-Hg-HPLC-E-POS-F1-914.58_10.53
Kaempferol dihexoside
    [2M+H]+ EAPE-Hg-HPLC-E-POS-F1-1221.43_3.49
    [M+H]+ EAPE-Hg-HPLC-E-POS-F1-611.19_3.5
P57AS3
    [M+NH4]+ EAPE-Hg-HPLC-E-POS-F1-896.5_5.09
Telmisartan standard
    [2M+H]+ EAPE-Hg-HPLC-E-POS-F1-1029.55_4.94
    [2M+K]+ EAPE-Hg-HPLC-E-POS-F1-1067.53_4.93
    [M+2H]2+ EAPE-Hg-HPLC-E-POS-F1-258.13_4.92
    fragment EAPE-Hg-HPLC-E-POS-F1-305.2_4.92
    [M+H]+ EAPE-Hg-HPLC-E-POS-F1-515.24_4.91