Metabolomics Workbench : NIH Data Repository

MB Sample ID: SA080836

Local Sample ID:	B49
Subject ID:	SU001234
Subject Type:	Human
Subject Species:	Homo sapiens
Taxonomy ID:	9606

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Subject:

Subject ID:	SU001234
Subject Type:	Human
Subject Species:	Homo sapiens
Taxonomy ID:	9606

Factors:

Local Sample ID	MB Sample ID	Factor Level ID	Level Value	Factor Name
B49	SA080836	FL012356	C	Group

Collection:

Collection ID:	CO001228
Collection Summary:	Blood samples were collected from each participant, immediately frozen at −20 °C, transported on ice to the laboratory and then stored at −80 °C.
Sample Type:	Blood (serum)

Treatment:

Treatment ID:	TR001249
Treatment Summary:	To explore how the host metabolic pattern alterations were impacted by the gut microbiota dysbiosis in AF patients, serum samples were collected and analyzed by high-throughput liquid chromatography-mass spectrometry (LC/MS).

Sample Preparation:

Sampleprep ID:	SP001242
Sampleprep Summary:	The serum samples were thawed at room temperature and 100 μL was pipetted into centrifuge tubes (1.5 mL) in preparation for extraction. The protein was precipitated with 300 μL of methanol, and 10 μL of internal standard (2.9 mg/mL, DL-o-Chlorophenylalanine) was added. The samples were vortexed for 30 s and centrifuged at 12000 rpm for 15 minat 4 °C. 200 μL of the supernatant was transferred to a vial for further analysis.

Sampleprep ID:

SP001242

Sampleprep Summary:

The serum samples were thawed at room temperature and 100 μL was pipetted into centrifuge tubes (1.5 mL) in preparation for extraction. The protein was precipitated with 300 μL of methanol, and 10 μL of internal standard (2.9 mg/mL, DL-o-Chlorophenylalanine) was added. The samples were vortexed for 30 s and centrifuged at 12000 rpm for 15 minat 4 °C. 200 μL of the supernatant was transferred to a vial for further analysis.

Combined analysis:

Analysis ID	AN001933	AN001934
Analysis type	MS	MS
Chromatography type	Reversed phase	Reversed phase
Chromatography system	Thermo Dionex Ultimate 3000	Thermo Dionex Ultimate 3000
Column	Thermo Hypergod C18 (100 x 4.6mm,3um)	Thermo Hypergod C18 (100 x 4.6mm,3um)
MS Type	ESI	ESI
MS instrument type	Orbitrap	Orbitrap
MS instrument name	Thermo Orbitrap Elite Hybrid Ion Trap-Orbitrap	Thermo Orbitrap Elite Hybrid Ion Trap-Orbitrap
Ion Mode	POSITIVE	NEGATIVE
Units	feature area	feature area

Chromatography:

Chromatography ID:	CH001403
Instrument Name:	Thermo Dionex Ultimate 3000
Column Name:	Thermo Hypergod C18 (100 x 4.6mm,3um)
Chromatography Type:	Reversed phase

MS:

MS ID:	MS001789
Analysis ID:	AN001933
Instrument Name:	Thermo Orbitrap Elite Hybrid Ion Trap-Orbitrap
Instrument Type:	Orbitrap
MS Type:	ESI
MS Comments:	All metabolomic data were prepared for feature extraction and preprocessed with Compound Discoverer 2.0 software (Thermo). Using SIMCA-P software (Umetrics AB, Umea, Sweden), a multivariate Analysis (MVA) was performed. The exact molecular mass, ppm and ms/ms value of these compounds was used to identify the metabolites related to the featured peak in the Metlin database (http://metlin.scripps.edu). The score value indicated the matching rate was calculated by Compound Discoverer 2.0 software (Thermo) with max of 100.
Ion Mode:	POSITIVE

MS ID:	MS001790
Analysis ID:	AN001934
Instrument Name:	Thermo Orbitrap Elite Hybrid Ion Trap-Orbitrap
Instrument Type:	Orbitrap
MS Type:	ESI
MS Comments:	All metabolomic data were prepared for feature extraction and preprocessed with Compound Discoverer 2.0 software (Thermo). Using SIMCA-P software (Umetrics AB, Umea, Sweden), a multivariate Analysis (MVA) was performed. The exact molecular mass, ppm and ms/ms value of these compounds was used to identify the metabolites related to the featured peak in the Metlin database (http://metlin.scripps.edu). The score value indicated the matching rate was calculated by Compound Discoverer 2.0 software (Thermo) with max of 100.
Ion Mode:	NEGATIVE