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MB Sample ID: SA291570
| Local Sample ID: | A3_CE-MS |
| Subject ID: | SU002870 |
| Subject Type: | Bacteria |
| Subject Species: | Haemophilus influenzae |
| Genotype Strain: | Rd KW20 |
| Species Group: | Bacteria |
Select appropriate tab below to view additional metadata details:
Subject:
| Subject ID: | SU002870 |
| Subject Type: | Bacteria |
| Subject Species: | Haemophilus influenzae |
| Genotype Strain: | Rd KW20 |
| Species Group: | Bacteria |
Factors:
| Local Sample ID | MB Sample ID | Factor Level ID | Level Value | Factor Name |
|---|---|---|---|---|
| A3_CE-MS | SA291570 | FL035822 | A | Population |
Collection:
| Collection ID: | CO002863 |
| Collection Summary: | H. influenzae Rd KW20 (NC_000907.1) was cultured in HTM broth and bacterial pellets were obtained by centrifugation. |
| Sample Type: | Bacterial cells |
Treatment:
| Treatment ID: | TR002879 |
| Treatment Summary: | In this case, samples were not treated as the study is a characterization. We performed independent evolution of five biological replicate populations. |
Sample Preparation:
| Sampleprep ID: | SP002876 |
| Sampleprep Summary: | Sample preparation was performed following Ares-Arroyo, M. et al. (https://doi.org/10.1128/msphere.00184-22) |
Combined analysis:
| Analysis ID | AN004492 | AN004493 | AN004494 | AN004495 | AN004496 | AN004497 |
|---|---|---|---|---|---|---|
| Analysis type | MS | MS | MS | MS | MS | MS |
| Chromatography type | GC | CE | Reversed phase | Reversed phase | Reversed phase | Reversed phase |
| Chromatography system | Agilent 7890B | Agilent 7100 CE | Agilent 1290 Infinity | Agilent 1290 Infinity | Agilent 1290 Infinity | Agilent 1290 Infinity |
| Column | Agilent DB5-MS (30m x 0.25mm, 0.25um) | fused silica capillary (70 cm; 50 um i.d.), Agilent Technologies | Agilent InfinityLab Poroshell 120 EC-C18 (100 x 3mm,2.7um) | Agilent InfinityLab Poroshell 120 EC-C18 (100 x 3mm,2.7um) | Agilent InfinityLab Poroshell 120 EC-C18 (100 x 3mm,2.7um) | Agilent InfinityLab Poroshell 120 EC-C18 (100 x 3mm,2.7um) |
| MS Type | EI | ESI | ESI | ESI | ESI | ESI |
| MS instrument type | QTOF | TOF | QTOF | QTOF | QTOF | QTOF |
| MS instrument name | Agilent 7250 | Agilent 6224 TOF | Agilent 6545 QTOF | Agilent 6545 QTOF | Agilent 6545 QTOF | Agilent 6545 QTOF |
| Ion Mode | UNSPECIFIED | POSITIVE | POSITIVE | NEGATIVE | POSITIVE | NEGATIVE |
| Units | raw abundance | raw abundance | raw abundance | raw abundance | raw abundance |
Chromatography:
| Chromatography ID: | CH003377 |
| Chromatography Summary: | Chromatography was performed according to DOI: 10.1385/1-59745-003-0:439 |
| Instrument Name: | Agilent 7890B |
| Column Name: | Agilent DB5-MS (30m x 0.25mm, 0.25um) |
| Column Temperature: | According to temperature gradient. DOI: 10.1385/1-59745-003-0:439 |
| Flow Gradient: | N/A for GC |
| Flow Rate: | 0.85 mL/min |
| Internal Standard: | Tricosane |
| Sample Injection: | 2 uL |
| Solvent A: | N/A for GC |
| Solvent B: | N/A for GC |
| Chromatography Type: | GC |
| Solvent C: | N/A for GC |
| Chromatography ID: | CH003378 |
| Chromatography Summary: | Separation was performed according to DOI: 10.1128/msphere.00184-22 |
| Instrument Name: | Agilent 7100 CE |
| Column Name: | fused silica capillary (70 cm; 50 um i.d.), Agilent Technologies |
| Column Temperature: | RT |
| Flow Gradient: | N/A for CE-MS |
| Flow Rate: | N/A for CE-MS |
| Internal Standard: | Methionine sulfone |
| Sample Injection: | hydrodynamic injection: 50 mbar for 100 s |
| Solvent A: | N/A for CE-MS |
| Solvent B: | N/A for CE-MS |
| Capillary Voltage: | 30 kV |
| Running Buffer: | 1M HCOOH in MeOH:H2O 1:9 (v/v) (BGE) |
| Chromatography Type: | CE |
| Solvent C: | N/A for CE-MS |
| Chromatography ID: | CH003379 |
| Chromatography Summary: | Chromatography was performed according to DOI: 10.1128/msphere.00184-22 |
| Instrument Name: | Agilent 1290 Infinity |
| Column Name: | Agilent InfinityLab Poroshell 120 EC-C18 (100 x 3mm,2.7um) |
| Column Temperature: | 50 ºC |
| Flow Gradient: | 70%B held 1 min; then increase up to 86 %B at 3.5 min; then hold 10 min; Next, incerase in %B up to 100 %B at 11 min; then, held for 6 min. Then, switched to initial conditions (1.84 min of re-equilibration time) |
| Flow Rate: | 0.6 mL/min |
| Sample Injection: | 2 uL (ESI+, MS1, ITMS with default inj. volume) and 5 uL (ESI-, MS1, ITMS with default inj. volume), 7 uL (ESI+ ITMS with increased inj. volume), 10 uL (ESI- ITMS with increased inj. volume) |
| Solvent A: | 10 mM Ammonium acetate and 0.2 mM ammonium fluoride in 9:1 H2O:MeOH (v/v) |
| Solvent B: | 10 mM Ammonium acetate and 0.2 mM ammonium fluoride in 2:3:5 ACN:MeOH:IPA (v/v) |
| Chromatography Type: | Reversed phase |
| Solvent C: | N/A |
MS:
| MS ID: | MS004239 |
| Analysis ID: | AN004492 |
| Instrument Name: | Agilent 7250 |
| Instrument Type: | QTOF |
| MS Type: | EI |
| MS Comments: | 70 eV EI source, Full MS scan, m/z range from 45 to 650. Acquisition rate of 6.67 spectra/s Data processed using Agilent MassHunter Unknowns Analysis and Agilent MassHunter Quantitative Analysis. Feature assignment performed by comparison with Fiehn exact mass, NIST, and in-house exact mass libraries. |
| Ion Mode: | UNSPECIFIED |
| MS ID: | MS004240 |
| Analysis ID: | AN004493 |
| Instrument Name: | Agilent 6224 TOF |
| Instrument Type: | TOF |
| MS Type: | ESI |
| MS Comments: | drying gas T = 200 ºC; drying gas flow rate = 10 L/min; nebulizer pressure = 10 psi; capillary V = 5500 V; fragmentor V = 125 V; skimmer V = 65 V; octopole RFV = 650 V; Acquisition mode: Full-MS scan, m/z range from 70 to 1000; acquisition rate = 1.36 spectra/s. Data processed with Agilent MassHunter Profinder B.10.00, feature assignment performed with CEU Mass Mediator Exp RMT Search and CEU Mass Mediator Batch Search. |
| Ion Mode: | POSITIVE |
| MS ID: | MS004241 |
| Analysis ID: | AN004494 |
| Instrument Name: | Agilent 6545 QTOF |
| Instrument Type: | QTOF |
| MS Type: | ESI |
| MS Comments: | Drying gas T = 300 ºC; drying gas flow rate = 12 L/min; Capillary V = 3500 V; fragmentor V = 150 V; skimmer V = 65 V; octopole RFV = 750 V. MS acquisition mode = Full MS scan, mz range = 50 to 3000; acquisition rate = 3.5 spectra/s. Data processed with Agilent MassHunter Profinder B.10.00 and Agilent MassHunter Qualitative Analysis (B.08.00). Feature annotation performed with Agilent MassHunter Lipid Annotator (v.1.0) and CEU Mass Mediator Batch Search. |
| Ion Mode: | POSITIVE |
| MS ID: | MS004242 |
| Analysis ID: | AN004495 |
| Instrument Name: | Agilent 6545 QTOF |
| Instrument Type: | QTOF |
| MS Type: | ESI |
| MS Comments: | Drying gas T = 300 ºC; drying gas flow rate = 12 L/min; Capillary V = 3500 V; fragmentor V = 150 V; skimmer V = 65 V; octopole RFV = 750 V. MS acquisition mode = Auto MS/MS, mz range = 50 to 3000; acquisition rate = 3.5 spectra/s. Data processed with Agilent MassHunter Profinder B.10.00 and Agilent MassHunter Qualitative Analysis (B.08.00). Feature annotation performed with Agilent MassHunter Lipid Annotator (v.1.0) and CEU Mass Mediator Batch Search. |
| Ion Mode: | NEGATIVE |
| MS ID: | MS004243 |
| Analysis ID: | AN004496 |
| Instrument Name: | Agilent 6545 QTOF |
| Instrument Type: | QTOF |
| MS Type: | ESI |
| MS Comments: | Drying gas T = 300 ºC; drying gas flow rate = 12 L/min; Capillary V = 3500 V; fragmentor V = 150 V; skimmer V = 65 V; octopole RFV = 750 V. MS acquisition mode = Auto MS/MS, isolation width = narrow (1.3 Da); collision energy (ramp) = 3.8; offset (ramp) = 4 6. Data processed with Agilent MassHunter Profinder B.10.00 and Agilent MassHunter Qualitative Analysis (B.08.00). Feature annotation performed with Agilent MassHunter Lipid Annotator (v.1.0) |
| Ion Mode: | POSITIVE |
| MS ID: | MS004244 |
| Analysis ID: | AN004497 |
| Instrument Name: | Agilent 6545 QTOF |
| Instrument Type: | QTOF |
| MS Type: | ESI |
| MS Comments: | Drying gas T = 300 ºC; drying gas flow rate = 12 L/min; Capillary V = 3500 V; fragmentor V = 150 V; skimmer V = 65 V; octopole RFV = 750 V. MS acquisition mode = Iterative auto MS/MS, isolation width = narrow (1.3 Da); collision energy (ramp) = 3.8; offset (ramp) = 4 6. Data processed with Agilent MassHunter Profinder B.10.00 and Agilent MassHunter Qualitative Analysis (B.08.00). Feature annotation performed with Agilent MassHunter Lipid Annotator (v.1.0) |
| Ion Mode: | NEGATIVE |
