Summary of Study ST002138

This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench,, where it has been assigned Project ID PR001354. The data can be accessed directly via it's Project DOI: 10.21228/M8PX25 This work is supported by NIH grant, U2C- DK119886.


This study contains a large results data set and is not available in the mwTab file. It is only available for download via FTP as data file(s) here.

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Study IDST002138
Study TitleInvestigation of Gastrolobium bilobum metabolism in formation of fluoroacetate
Study SummaryThis data contains untargeted LC-MS/MS analysis of gastrolobium bilobum plants fed isotopically labeled precursors to investigate synthesis of fluoroacetate.
University of California, Davis
Last NameFolz
First NameJacob
Address1 Shields Ave
Submit Date2022-04-13
Raw Data AvailableYes
Raw Data File Type(s)raw(Thermo)
Analysis Type DetailLC-MS
Release Date2022-05-02
Release Version1
Jacob Folz Jacob Folz application/zip

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Project ID:PR001354
Project DOI:doi: 10.21228/M8PX25
Project Title:Gastrolobium bilobum LC-MS/MS analysis
Project Summary:This study was carried out to investigate metabolism and possible routes of synthesis of fluoroacetate.
Institute:University of California, Davis
Last Name:Folz
First Name:Jacob
Address:1 Shields Ave


Subject ID:SU002223
Subject Type:Plant
Subject Species:Gastrolobium bilobum


Subject type: Plant; Subject species: Gastrolobium bilobum (Factor headings shown in green)

mb_sample_id local_sample_id Tissue Factor Treatment Factor
SA205323Gastrolobium_HILICpos_01Bacteria Extract No Treatment
SA205324Gastrolobium_HILICpos_46Gastrolobium Bottom Leaf No Treatment
SA205325Gastrolobium_HILICpos_47Gastrolobium Bottom Leaf No Treatment
SA205326Gastrolobium_HILICpos_48Gastrolobium Bottom Leaf No Treatment
SA205329Gastrolobium_HILICpos_55Gastrolobium Leaf 107.1 ng/ml Fluoroacetate spiked
SA205330Gastrolobium_HILICpos_56Gastrolobium Leaf 107.1 ng/ml Fluoroacetate spiked
SA205327Gastrolobium_HILICpos_52Gastrolobium Leaf 10.7 ng/ml Fluoroacetate spiked
SA205328Gastrolobium_HILICpos_51Gastrolobium Leaf 10.7 ng/ml Fluoroacetate spiked
SA205333Gastrolobium_HILICpos_58Gastrolobium Leaf 357.1 ng/ml Fluoroacetate spiked
SA205334Gastrolobium_HILICpos_57Gastrolobium Leaf 357.1 ng/ml Fluoroacetate spiked
SA205331Gastrolobium_HILICpos_53Gastrolobium Leaf 35.7 ng/ml Fluoroacetate spiked
SA205332Gastrolobium_HILICpos_54Gastrolobium Leaf 35.7 ng/ml Fluoroacetate spiked
SA205335Gastrolobium_HILICpos_20Gastrolobium Leaf C13 Acetate
SA205336Gastrolobium_HILICpos_14Gastrolobium Leaf C13 Acetate
SA205337Gastrolobium_HILICpos_22Gastrolobium Leaf C13 Acetate
SA205338Gastrolobium_HILICpos_19Gastrolobium Leaf C13 Adenosine
SA205339Gastrolobium_HILICpos_17Gastrolobium Leaf C13 Adenosine
SA205340Gastrolobium_HILICpos_16Gastrolobium Leaf C13 Adenosine
SA205341Gastrolobium_HILICpos_21Gastrolobium Leaf C13 Serine
SA205342Gastrolobium_HILICpos_13Gastrolobium Leaf C13 Serine
SA205343Gastrolobium_HILICpos_05Gastrolobium Leaf FE 100uM NaF
SA205344Gastrolobium_HILICpos_02Gastrolobium Leaf FE 100uM NaF
SA205345Gastrolobium_HILICpos_03Gastrolobium Leaf FE 100uM NaF
SA205346Gastrolobium_HILICpos_06Gastrolobium Leaf FE 100uM NaF
SA205347Gastrolobium_HILICpos_04Gastrolobium Leaf FE 100uM NaF
SA205348Gastrolobium_HILICpos_09Gastrolobium Leaf FE 100uM NaF
SA205349Gastrolobium_HILICpos_12Gastrolobium Leaf FE 100uM NaF
SA205350Gastrolobium_HILICpos_11Gastrolobium Leaf FE 100uM NaF
SA205351Gastrolobium_HILICpos_10Gastrolobium Leaf FE 100uM NaF
SA205352Gastrolobium_HILICpos_08Gastrolobium Leaf FE 100uM NaF
SA205353Gastrolobium_HILICpos_07Gastrolobium Leaf FE 100uM NaF
SA205354Gastrolobium_HILICpos_50Gastrolobium Leaf No Treatment
SA205355Gastrolobium_HILICpos_49Gastrolobium Leaf No Treatment
SA205356Gastrolobium_HILICpos_15Gastrolobium Leaf No Treatment
SA205357Gastrolobium_HILICpos_18Gastrolobium Leaf No Treatment
SA205358Gastrolobium_HILICpos_38Gastrolobium Root No Treatment
SA205359Gastrolobium_HILICpos_39Gastrolobium Root No Treatment
SA205360Gastrolobium_HILICpos_37Gastrolobium Root No Treatment
SA205361Gastrolobium_HILICpos_41Gastrolobium Stem No Treatment
SA205362Gastrolobium_HILICpos_42Gastrolobium Stem No Treatment
SA205363Gastrolobium_HILICpos_40Gastrolobium Stem No Treatment
SA205364Gastrolobium_HILICpos_45Gastrolobium Top Leaf No Treatment
SA205365Gastrolobium_HILICpos_43Gastrolobium Top Leaf No Treatment
SA205366Gastrolobium_HILICpos_44Gastrolobium Top Leaf No Treatment
SA205367Gastrolobium_HILICpos_26Method Blank No Treatment
SA205368Gastrolobium_HILICpos_23Method Blank No Treatment
SA205369Gastrolobium_HILICpos_24Method Blank No Treatment
SA205370Gastrolobium_HILICpos_25Method Blank No Treatment
SA205371Gastrolobium_HILICpos_27Method Blank No Treatment
SA205372Gastrolobium_HILICpos_61Pooled Sample No Treatment
SA205373Gastrolobium_HILICpos_60Pooled Sample No Treatment
SA205374Gastrolobium_HILICpos_59Pooled Sample No Treatment
SA205375Gastrolobium_HILICpos_36Pooled Sample No Treatment
SA205376Gastrolobium_HILICpos_33Pooled Sample No Treatment
SA205377Gastrolobium_HILICpos_34Pooled Sample No Treatment
SA205378Gastrolobium_HILICpos_35Pooled Sample No Treatment
SA205379Gastrolobium_HILICpos_28Standard Curve 0 ng/ml Standards
SA205380Gastrolobium_HILICpos_31Standard Curve 100 ng/ml Standards
SA205382Gastrolobium_HILICpos_32Standard Curve 250 ng/ml Standards
SA205381Gastrolobium_HILICpos_30Standard Curve 25 ng/ml Standards
SA205383Gastrolobium_HILICpos_29Standard Curve 5 ng/ml Standards
Showing results 1 to 61 of 61


Collection ID:CO002216
Collection Summary:Gastrolobium bilobum plants were grown in the presence or absence of sodium fluoride and were also fed different isotopically labeled precursors. Different tissues were collected to determine tissue specific concentration of fluoroacetate
Sample Type:Plant


Treatment ID:TR002235
Treatment Summary:Different tissues were collected from plants and different chemical exposures were applied to different plants.

Sample Preparation:

Sampleprep ID:SP002229
Sampleprep Summary:Samples were extracted using acetonitrile and MTBE in biphasic extraction to reduce the amount of lipids in sample. Aqueous phase was analyzed.

Combined analysis:

Analysis ID AN003499
Analysis type MS
Chromatography type HILIC
Chromatography system Thermo Vanquish
Column Waters Acquity BEH C18 (50 x 2.1mm, 1.7 um)
MS instrument type Orbitrap
MS instrument name Thermo Orbitrap Exploris 240
Units Peak Area


Chromatography ID:CH002585
Chromatography Summary:HILIC analysis
Instrument Name:Thermo Vanquish
Column Name:Waters Acquity BEH C18 (50 x 2.1mm, 1.7 um)
Chromatography Type:HILIC


MS ID:MS003259
Analysis ID:AN003499
Instrument Name:Thermo Orbitrap Exploris 240
Instrument Type:Orbitrap
MS Comments:Most data files contain only MS1 data, with iterative exclusion MS/MS collected on pooled samples. Data was processed in MSDIAL v. 4.8