Metabolomics Workbench : NIH Data Repository

MB Sample ID: SA085900

Local Sample ID:	309-04 M
Subject ID:	SU001282
Subject Type:	Human
Subject Species:	Homo sapiens
Taxonomy ID:	9606
Gender:	Male and female

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Subject:

Subject ID:	SU001282
Subject Type:	Human
Subject Species:	Homo sapiens
Taxonomy ID:	9606
Gender:	Male and female

Factors:

Local Sample ID	MB Sample ID	Factor Level ID	Level Value	Factor Name
309-04 M	SA085900	FL012839	Mirabegron	Treatment

Collection:

Collection ID:	CO001276
Collection Summary:	Human plasma was acquired from a previously performed clinical trial (Cypess et al., 2015) registered with ClinicalTrials.gov (NCT01783470) and had the FDA Investigational New Drug (IND) registration number 116246. It was approved by the Human Studies Institutional Review Boards of Beth Israel Deaconess Medical Center (BIDMC) and Joslin Diabetes Center (JDC). Blood samples were collected 180 minutes after oral dosing. 180 minutes is the corresponding T max (time after administration of a drug when the maximum plasma concentration is reached) found for mirabegron in men (Baskin et al., Diabetes 2018).
Sample Type:	Blood (plasma)

Treatment:

Treatment ID:	TR001297
Treatment Summary:	Healthy volunteers were recruited through electronic advertisements and provided written informed consent. The subjects were given a single oral dose of mirabegron, 200 mg.

Sample Preparation:

Sampleprep ID:	SP001290
Sampleprep Summary:	Aliquots of 100 µL plasma were taken, depending on the experiment. A mixture of deuterium-labeled internal standards was added to each aliquot, followed by 3x volume of sample of cold methanol (MeOH). Samples were vortexed for 5 minutes and stored at 31 −20 °C overnight. Cold samples were centrifuged at 14,000g for 10 minutes, and the supernatant was then transferred to a new tube and 3 mL of acidified H 2 O (pH 3.5) was added to each sample prior to C18 SPE. The methyl formate fractions were collected, dried under nitrogen, and reconstituted in 50 µL MeOH:H 2 O (1:1, by vol). Samples were transferred to 0.5 mL tubes and centrifuged at 20,000g at 4 °C for 10 minutes. (35ul) of supernatant was transferred to LC–MS/MS vials for analysis using the BERG LCMS/MS mediator lipidomics platform.

Sampleprep ID:

SP001290

Sampleprep Summary:

Aliquots of 100 µL plasma were taken, depending on the experiment. A mixture of deuterium-labeled internal standards was added to each aliquot, followed by 3x volume of sample of cold methanol (MeOH). Samples were vortexed for 5 minutes and stored at 31 −20 °C overnight. Cold samples were centrifuged at 14,000g for 10 minutes, and the supernatant was then transferred to a new tube and 3 mL of acidified H 2 O (pH 3.5) was added to each sample prior to C18 SPE. The methyl formate fractions were collected, dried under nitrogen, and reconstituted in 50 µL MeOH:H 2 O (1:1, by vol). Samples were transferred to 0.5 mL tubes and centrifuged at 20,000g at 4 °C for 10 minutes. (35ul) of supernatant was transferred to LC–MS/MS vials for analysis using the BERG LCMS/MS mediator lipidomics platform.

Combined analysis:

Analysis ID	AN002026
Analysis type	MS
Chromatography type	Reversed phase
Chromatography system	Ekspert MicroLC 200 system
Column	Phenomenex Synergi Fusion-RP capillary C18 (150 × 0.5 mm,4um)
MS Type	ESI
MS instrument type	QTOF
MS instrument name	ABI Sciex 5600+ TripleTOF
Ion Mode	NEGATIVE
Units	Peak Area

Chromatography:

Chromatography ID:	CH001467
Instrument Name:	Ekspert MicroLC 200 system
Column Name:	Phenomenex Synergi Fusion-RP capillary C18 (150 × 0.5 mm,4um)
Chromatography Type:	Reversed phase

MS:

MS ID:	MS001879
Analysis ID:	AN002026
Instrument Name:	ABI Sciex 5600+ TripleTOF
Instrument Type:	QTOF
MS Type:	ESI
MS Comments:	MS analysis was performed on a SCIEX TripleTOF® 5600+ system using the HR-MRM strategy consisting of a TOF MS experiment looped with multiple MS/MS experiments. MS spectra were acquired in high-resolution mode (>30,000) using a 100-ms accumulation time per spectrum. Fullscan MS/MS was acquired in high sensitivity mode, with an accumulation time optimized per cycle. Collision energy was set using rolling collision energy with a spread of 15V. The identity of a component was confirmed using PeakView® software (SCIEX), and quantification was performed using MultiQuant™ software (SCIEX).
Ion Mode:	NEGATIVE