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MB Sample ID: SA174378
| Local Sample ID: | blank_media2 |
| Subject ID: | SU001939 |
| Subject Type: | Bacteria |
| Subject Species: | Bacteroides spp. and Escherichia spp. (mixed communities) |
| Taxonomy ID: | B. fragilis 3_1_12; B. vulgatus 3_1_40A; B. ovatus 3_8_47; B. dorei 5_1_36; P. distasonis 2_1_33B; E. coli 3_1_53; E. coli 4_1_47 |
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Combined analysis:
| Analysis ID | AN003018 | AN003019 |
|---|---|---|
| Analysis type | MS | MS |
| Chromatography type | Normal phase | Reversed phase |
| Chromatography system | Agilent 1290 | Agilent 1200 |
| Column | Phenomenex PFP UPLC (2.1 x 150mm,1.7um) | Agilent Zorbax 300 C18 (250x4.6mm) |
| MS Type | ESI | ESI |
| MS instrument type | Triple quadrupole | Triple quadrupole |
| MS instrument name | Agilent 6495 QQQ | Agilent 6460 QQQ |
| Ion Mode | NEGATIVE | POSITIVE |
| Units | µM | µM |
MS:
| MS ID: | MS002807 |
| Analysis ID: | AN003018 |
| Instrument Name: | Agilent 6495 QQQ |
| Instrument Type: | Triple quadrupole |
| MS Type: | ESI |
| MS Comments: | The raw data was acquired using the Agilent MassHunter® 7.0 software. After data acquisitions, linearly regressed calibration curves of individual compounds were constructed with the analyte-to-internal standard peak area ratios measured from injection of the calibration curves. For those compounds without their isotope-labelling analogues as the internal standards, 13C6-fructose was used a common internal standard. Concentrations of the analytes were calculated by interpolating the calibration curves of individual compounds with their analyte-to-internal standard peak area ratios measured from injection of the sample solutions. |
| Ion Mode: | NEGATIVE |
| MS ID: | MS002808 |
| Analysis ID: | AN003019 |
| Instrument Name: | Agilent 6460 QQQ |
| Instrument Type: | Triple quadrupole |
| MS Type: | ESI |
| MS Comments: | A collision energy of 10V was used for multiple reaction monitoring (MRM), and LC-MS/MS data were analysed by Mass Hunter Qualitative Analysis B.06.00 software (Agilent Technologies). The identification and quantification of the SCFAs were carried out based on the retention time and mass fragmentation pattern comparing with standards. Six-point calibration curves made by peak area vs concentration of the pure standards were used to quantify the different SCFA. The linearity of the curves was determined by the coefficient of determination (R2), being higher than 0.99 for all standards. Concentrations of the SCFAs were calculated by interpolating the calibration curves of individual compounds. |
| Ion Mode: | POSITIVE |
