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Echinacea purpurea Species Overview

Experiment: MPGR

Sample Name HelpReplicates
#1 upper stem6
#10 older leaf from basal part6
#11 Roots6
#2 leaf from apical part of stem6
#2a Younger leaf from apical part of stem6
#4 Lower stem6
#5 Leaf from lower stem5
#6 Petiole from leaf from lower stem5
#7 Petiole from younger leaf6
#8 younger leaf from basal part6
#9 Petiole (from older leaf from basal part)6
Bracts stage 16
Bracts stage 26
Bracts stage 36
Bracts stage 46
Bracts stage 56
Disc florets stage 25
Disc florets stage 35
Disc florets stage 45
Disc florets stage 56
Flower Stage 16
Flower Stage 26
Flower Stage 36
Flower Stage 46
Flower Stage 56
Petal stage 23
Petal stage 36
Petal stage 46
Petal stage 56
Receptacle stage 16
Receptacle stage 26
Receptacle stage 36
Receptacle stage 46
Receptacle stage 56
Root new6
Root old6

4 Platforms

Platform: Echinacea purpurea-GCMS-Fatty Acids

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Platform: Echinacea purpurea-GCMS-Alkamides

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+ MS Metadata
Instrument
Model #5973
Operational software name & versionMSD Chemstation D.02.00.275
Ionization source
Gas flows1.8 mL/min
Ionization modeElectical Ionization
PolarityPositive
Skimmer/focusing lens voltages-
Vacuum pressure1.4 e-5
Mass Analyzer
Calibration, resolution100 ppm
Logic program for data acquisitionscan
m/z range50-800
Mass accuracy100 ppm
Spectral acquisition rate2/sec
TypeQuattropole
Vacuum pressure-

+ Chromatography Metadata
Chromatography Instrument
Liquid or Gas chromatography?Gas Chromatography/Mass Spectrometer
ManufacturerAgilent
Model number6890 coupled to an
Auto-injector
injection volume1 _L
Injector model/typeAgilent 7683 G2613A auto-sampler
method nameAlkamides
software versionMSD Chemstation D.02.00.275
Separation column and pre/guard column
Internal diameter of column250 _m;
Length of column30 m
Physical parameters0.25 _m
Product Name and catalogue number (year of caHP-5MS fused silica column 19091S-433
Stationary media compositionfused silica column
Separation parameters
GC injector temperature250C
Mobile phase compositionHelium Gas
Mobile phase flow rate1.8 mL/min
Quality Control
Age of column (in chromatography cycles)300
Age of septum (in chromatography cycles)40
Frequency of blank chromatograms1 to 5
Internal standard(2Z,4E)-N-isobutyldodeca-2,4-dienamide, isomer, 11a
Mass accuracyv
Resolutionv
Sensitivityv
Tunev
Agilent 5973 inert MSD detector
Software packageMSD Chemstation
Version number or DateD.00.01
Thermal gradient profile 1
Final temp200
Final time19.00
Rate15.00
Thermal gradient profile 2
Final temp300
Final time9.00
Rate20.00

Platform: Echinacea purpurea-GCMS-Amino Acids

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Platform: Echinacea purpurea-LC/TOF MS Positive Ion

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Growth conditions
location of growthgreenhouse
plant age at harvest2-8 months
temperature (C)25
vegetative plant or reproducing plantvegetative
Variables Tested
age of material harvestedvariable
plant partvariable
time of harvest relative to light cyclevariable
Harvest Info
DateMarch-June 2010
Harvester(s)Ludmila Rizshksy, Matt Crispin
Lab PIBasil J Nikolau and Eve Wurtele
Was material harvested directly from wild popno
Help

Sample 1:

Sample 2:

Metabolite Search


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Chemically defined metabolites in this experiment:

Nortropine
(2E,4E)-N-isobutyl dodeca-2,4-dien-8,10-diynamide
    [M+H]+ BG-Ech-HPLC-E-POS-F1-244.168-9.28
(2E,4E)-N-isobutyl dodeca-2,4-dienamide
    [M+H]+ BG-Ech-HPLC-E-POS-F1-252.233-14.77
    [M+H+CH3CN]+ BG-Ech-HPLC-E-POS-F1-293.263-14.77
    [2M+H]+ BG-Ech-HPLC-E-POS-F1-503.463-14.79
(2E,4E,8Z)-N-isobutyl dodeca-2,4,8-trienamide
    [M+H]+ BG-Ech-HPLC-E-POS-F1-250.217-12.61
    [M+H+CH3CN]+ BG-Ech-HPLC-E-POS-F1-291.245-12.6
    [2M+H]+ BG-Ech-HPLC-E-POS-F1-499.43-12.58
    BJN-GCMS-alkamides-17.242-2127.2
    BJN-GCMS-alkamides-17.612-2138.1
(2E,4E,8Z,10E)-N-isobutyl dodeca-2,4,8,10-tetraenamide
    [M+H]+ BG-Ech-HPLC-E-POS-F1-248.199-11.05
    [M+H+CH3CN]+ BG-Ech-HPLC-E-POS-F1-289.23-11.05
    [2M+H]+ BG-Ech-HPLC-E-POS-F1-495.393-11.04
    BJN-GCMS-alkamides-19.185-2182
(2E,4Z)-N-(2-methylbutyl) dodeca-2,4-dien-8,10-diynamide
    [M+H+CH3CN]+ BG-Ech-HPLC-E-POS-F1-299.218-9.67
    [M+H+CH3CN]+ BG-Ech-HPLC-E-POS-F1-299.219-9.94
    [2M+H]+ BG-Ech-HPLC-E-POS-F1-515.37-9.66
(2E,4Z)-N-isobutyl dodeca-2,4-dien-8,10-diynamide
    [M+H]+ BG-Ech-HPLC-E-POS-F1-244.168-8.85
    [2M+H]+ BG-Ech-HPLC-E-POS-F1-487.326-8.84
    [2M+H]+ BG-Ech-HPLC-E-POS-F1-487.339-9.26
    BJN-GCMS-alkamides-26.052-2339.9
(2E,4Z)-N-isobutyl undeca-2,4-dien-8,10-diynamide
    [M+H]+ BG-Ech-HPLC-E-POS-F1-230.154-8.09
    [M+H+CH3CN]+ BG-Ech-HPLC-E-POS-F1-271.185-8.09
    [2M+H]+ BG-Ech-HPLC-E-POS-F1-459.302-8.09
(2E,9Z)-N-isobutyl hexadeca-2,9-dien-12,14-diynamide
    [M+H]+ BG-Ech-HPLC-E-POS-F1-300.23-13.61
    [2M+H]+ BG-Ech-HPLC-E-POS-F1-599.462-13.61
(2E,9Z)-N-isobutyl pentadeca-2,9-dien-12,14-diynamide
    [M+H]+ BG-Ech-HPLC-E-POS-F1-286.213-12.22
    [2M+H]+ BG-Ech-HPLC-E-POS-F1-571.425-12.22
(2Z,4E)-N-isobutyl undeca-2,4-dien-8,10-diynamide
    [M+H]+ BG-Ech-HPLC-E-POS-F1-230.152-8.41
    [M+H+CH3CN]+ BG-Ech-HPLC-E-POS-F1-271.185-8.38
    [2M+H]+ BG-Ech-HPLC-E-POS-F1-459.307-8.37
    BJN-GCMS-alkamides-14.831-2049.9
(E)-N-(2-methylbutyl) dodeca-2-en-8,10-diynamide
    [M+H]+ BG-Ech-HPLC-E-POS-F1-260.202-10.76
    [M+H+CH3CN]+ BG-Ech-HPLC-E-POS-F1-301.233-10.72
    [2M+H]+ BG-Ech-HPLC-E-POS-F1-519.4-10.83
1-Hexacosene
    BJN-GCMS-alkamides-26.305-2344.8
1-Propyl-3-(propen-1-yl)adamantane
    BJN-GCMS-FAMES:BAOH-17.516-2091.1
10,13-Octadecadienoic acid
    BJN-GCMS-FAMES:BAOH-15.478-2048.3
10-trans,12-cis-octadecadienoate
    BJN-GCMS-FAMES:BAOH-16.591-2072.3
11,14-eicosadienoate
    BJN-GCMS-FAMES:BAOH-19.632-2228.7
11-eicosenoate
    BJN-GCMS-FAMES:BAOH-20.141-2235.1
13-tetradecanoate
    BJN-GCMS-FAMES:BAOH-11.755-1814.1
15-Octadecadienoic acid
    BJN-GCMS-FAMES:BAOH-15.939-2058.5
2-hydroxy hexadecanoic acid
    BJN-GCMS-FAMES:BAOH-16.127-2062.5
2-hydroxy Tricosanoic acid
    BJN-GCMS-FAMES:BAOH-30.425-2802.9
7,10-Octadecadienoic acid
    BJN-GCMS-FAMES:BAOH-17.32-2087.2
7-Octadecenoic acid
    BJN-GCMS-alkamides-16.261-2097.1
9,11,13-Octadecatrienoic acid
    BJN-GCMS-FAMES:BAOH-16.316-2066.5
9,12,15-Octadecatrienoic acid isomer
    BJN-GCMS-FAMES:BAOH-16.447-2069.3
9,12,15-Octadecatrienoic acid MIX 9-Octadecadienoic acid
    BJN-GCMS-FAMES:BAOH-15.659-2052.3
9,12-Hexadecadienoic acid
    BJN-GCMS-FAMES:BAOH-12.654-1860.8
9,12-Octadecadienoic acid
    BJN-GCMS-FAMES:BAOH-17.859-2204.9
9,12-Octadecadienoic acid (Z,Z)
    BJN-GCMS-alkamides-15.928-2086.5
Anodendroside E 2
    BJN-GCMS-FAMES:BAOH-46.115-3601.8
beta-sitosterol
    BJN-GCMS-alkamides-39.447-3375.5
beta.-Sitosterol
    BJN-GCMS-FAMES:BAOH-41.864-3208.4
campesterol
    BJN-GCMS-alkamides-38.141-3285.6
Cinnamic acid
    BJN-GCMS-FAMES:BAOH-13.149-1885.1
cis-13-Eicosenoic acid
    BJN-GCMS-FAMES:BAOH-19.723-2229.9
cis-9-Hexadecenoic acid
    BJN-GCMS-alkamides-14.028-2021.3
Decanoic acid
    BJN-GCMS-alkamides-6.823-1465.6
Docosane C22
    BJN-GCMS-alkamides-19.603-2193
dodeca-2E, 4E, 8Z, 10E/Z-tetraenoic acid isobutylamide (Bauer alkamide 8-9 isomer 2)
    BJN-GCMS-alkamides-19.368-2186.8
dodeca-2E, 4E, 8Z, 10E/Z-tetraenoic acid isobutylamide (Bauer alkamide 8-9 isomer 3)
    BJN-GCMS-alkamides-19.792-2198
dodeca-2E, 4E, 8Z, 10E/Z-tetraenoic acid isobutylamide (Bauer alkamide 8-9 isomer 4)
    BJN-GCMS-alkamides-20.165-2207.6
Dodecanoic acid (combined TMS & methyl ester)
    BJN-GCMS-alkamides-7.695-1562.5
Eicosanoic acid
    BJN-GCMS-FAMES:BAOH-20.268-2236.7
gamma-Sitosterol
    BJN-GCMS-alkamides-39.003-3345.3
glucose
    [M+NH4]+ BG-Ech-HPLC-E-POS-F1-198.104-0.35
    [M+K]+ BG-Ech-HPLC-E-POS-F1-219.034-0.33
heptadecanoic acid
    BJN-GCMS-FAMES:BAOH-14.213-2018.9
Hexadec-9-enoate
    BJN-GCMS-FAMES:BAOH-12.608-1858.5
Hexadecanal
    BJN-GCMS-FAMES:BAOH-9.964-1618.7
hexadecanoic acid
    BJN-GCMS-FAMES:BAOH-12.853-1870.7
Hexadecanol
    BJN-GCMS-FAMES:BAOH-19.357-2225.2
Hexadecenoic acid, Z-11-
    BJN-GCMS-alkamides-12.25-1934.6
Hydroxy N-2-methylpropylhexadecatetraenamide
    [2M+H]+ BG-Ech-HPLC-E-POS-F1-639.516-12.6
Hydroxy N-isobutyl pentadecadiendiynamide
    [2M+H]+ BG-Ech-HPLC-E-POS-F1-603.421-9.22
Hydroxy N-isobutyl tridecadiendiynamide
    [M+H]+ BG-Ech-HPLC-E-POS-F1-274.183-7.63
Methyl 2-hydroxy-docosanoate
    BJN-GCMS-FAMES:BAOH-28.322-2616.2
Methyl 5,9-heptadecadienoate
    BJN-GCMS-alkamides-12.144-1928.5
Methyl 5,9-octadecadienoate
    BJN-GCMS-alkamides-21.129-2231.7
methyl parinarate or 9c,11t,13t,15c-18:4
    BJN-GCMS-FAMES:BAOH-21.223-2253.1
N-(2-methylbutyl) dodeca-2,4-dien-8,10-diynamide isomer 1
    [M+H]+ BG-Ech-HPLC-E-POS-F1-258.184-9.67
N-(2-methylbutyl) dodeca-2,4-dien-8,10-diynamide isomer 3
    [M+H]+ BG-Ech-HPLC-E-POS-F1-258.184-10.46
    BJN-GCMS-alkamides-29.716-2438.2
N-(2-methylbutyl) dodeca-triendiynamide
    [M+H]+ BG-Ech-HPLC-E-POS-F1-256.171-9.51
    [M+H-H2O]+ BG-Ech-HPLC-E-POS-F1-256.175-7.63
    [2M+H]+ BG-Ech-HPLC-E-POS-F1-511.338-9.51
N-(2-methylbutyl) dodecadiendiynamide isomer 2
    [M+H]+ BG-Ech-HPLC-E-POS-F1-258.183-9.94
    [2M+H]+ BG-Ech-HPLC-E-POS-F1-515.362-9.93
N-(2-methylbutyl) dodecadiynamide
    [M+H]+ BG-Ech-HPLC-E-POS-F1-262.219-12.5
    [M+H+CH3CN]+ BG-Ech-HPLC-E-POS-F1-303.248-12.5
    [2M+H]+ BG-Ech-HPLC-E-POS-F1-523.432-12.51
N-(2-methylpropyl)tridecadienamide
    [M+H+CH3CN]+ BG-Ech-HPLC-E-POS-F1-307.279-16.38
N-(hydroxy-isobutyl) dodecatrienamide
    [M+H-H2O]+ BG-Ech-HPLC-E-POS-F1-248.205-9.27
N-(hydroxyisobutyl) dodecatrienamide
    [M+H]+ BG-Ech-HPLC-E-POS-F1-266.216-9.27
N-Hydroxyisobutyl C15:6 alkamide
    [M+H-H2O]+ BG-Ech-HPLC-E-POS-F1-284.199-9.21
N-Hydroxyisobutyl C16:6 alkamide.
    [M+H]+ BG-Ech-HPLC-E-POS-F1-316.228-10.12
N-Hydroxyisobutyl dodecatetraenamide
    [M+H]+ BG-Ech-HPLC-E-POS-F1-264.194-8.33
N-Hydroxyisobutyl hexadecatetraenamide
    [M+H]+ BG-Ech-HPLC-E-POS-F1-320.255-12.61
N-Hydroxyisobutyl pentadecadiendiynamide
    [M+H]+ BG-Ech-HPLC-E-POS-F1-302.209-9.21
N-hydroxyisobutyl tetradecadienamide
    [M+H]+ BG-Ech-HPLC-E-POS-F1-296.262-13.05
N-isobuty lhexadecatetraenamide
    [M+H]+ BG-Ech-HPLC-E-POS-F1-304.261-16.59
N-Isobutyl C12:5 alkamide
    [M+H]+ BG-Ech-HPLC-E-POS-F1-246.186-9.51
    [2M+H]+ BG-Ech-HPLC-E-POS-F1-491.37-9.51
N-isobutyl dodecatrienynamide
    [M+H+CH3CN]+ BG-Ech-HPLC-E-POS-F1-287.217-9.52
N-isobutyl hexadecatetraenamide
    [M+H+CH3CN]+ BG-Ech-HPLC-E-POS-F1-345.294-16.58
    [2M+H]+ BG-Ech-HPLC-E-POS-F1-607.52-16.58
N-isobutyl pentadecatriendiynamide
    [M+H]+ BG-Ech-HPLC-E-POS-F1-284.203-8.77
N-isobutyl tetradecadien-diynamide
    [M+H]+ BG-Ech-HPLC-E-POS-F1-272.204-10.84
    [2M+H]+ BG-Ech-HPLC-E-POS-F1-543.398-10.87
N-isobutyl tridecadienamide
    [M+H]+ BG-Ech-HPLC-E-POS-F1-266.252-16.39
Naphthalene
    BJN-GCMS-alkamides-7.503-1542.2
Nortropine
    [M + H]+ FS-Atropa-HPLC-E-POS-F1-UK-128.122-2.82
Octacosanoic acid
    BJN-GCMS-FAMES:BAOH-38.039-3011.9
Octadecane
    BJN-GCMS-alkamides-10.204-1807.4
Octadecanoic acid
    BJN-GCMS-FAMES:BAOH-16.042-2060.7
Octadecanoic acid (combined TMS and Methyl Esters)
    BJN-GCMS-alkamides-15.923-2116.6
phytol
    BJN-GCMS-alkamides-18.983-2176.5
Stigmasterol
    BJN-GCMS-alkamides-38.574-3315.8
    BJN-GCMS-FAMES:BAOH-40.895-3205.2
sucrose
    [M+K]+ BG-Ech-HPLC-E-POS-F1-381.083-0.33
Telmisartan
    [M+H]+ BG-Ech-HPLC-E-POS-F1-515.236-8.99
Tetracosane
    BJN-GCMS-alkamides-30.196-2478.6
Tetracosanoic acid
    BJN-GCMS-FAMES:BAOH-28.478-2617.2
Tetradecanoate
    BJN-GCMS-FAMES:BAOH-10.873-1729.5
tetradecanoic acid
    BJN-GCMS-FAMES:BAOH-11.981-1826.2
Triacontanoic acid
    BJN-GCMS-FAMES:BAOH-41.611-3207.5
Tricosanoic acid
    BJN-GCMS-FAMES:BAOH-26.518-2604.4
trideca-2E, 7Z-diene-10, 12-diynoic acid isobutylamide (Bauer alkamide 6)
    BJN-GCMS-alkamides-29.593-2424.7
undeca-2e, 4z-diene-8, 10-diynoic acid 2-methylbutylamide (Bauer alkamide 4)
    BJN-GCMS-alkamides-23.042-2276.5
vitamin E + 467
    BJN-GCMS-FAMES:BAOH-38.347-3013.1