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MB Sample ID: SA116258
| Local Sample ID: | M_4m_1a |
| Subject ID: | SU001489 |
| Subject Type: | Mammal |
| Subject Species: | Mus musculus |
| Taxonomy ID: | 10090 |
| Genotype Strain: | C57BL/6J |
| Age Or Age Range: | 4 months & 20 months |
| Gender: | Male and female |
| Animal Animal Supplier: | Jackson Laboratories |
| Animal Housing: | SPF animal facility at USC |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN002365 | AN002366 | AN002367 | AN002368 |
|---|---|---|---|---|
| Analysis type | MS | MS | MS | MS |
| Chromatography type | HILIC | HILIC | Reversed phase | Reversed phase |
| Chromatography system | Thermo Dionex Ultimate 3000 RS | Thermo Dionex Ultimate 3000 RS | Thermo Dionex Ultimate 3000 RS | Thermo Dionex Ultimate 3000 RS |
| Column | SeQuant ZIC-HILIC (100 x 2.1mm,3.5um) | SeQuant ZIC-HILIC (100 x 2.1mm,3.5um) | Agilent Zorbax SBaq (50 x 2.1mm,1.7um) | Agilent Zorbax SBaq (50 x 2.1mm,1.7um) |
| MS Type | ESI | ESI | ESI | ESI |
| MS instrument type | Orbitrap | Orbitrap | Orbitrap | Orbitrap |
| MS instrument name | Thermo Q Exactive Plus Orbitrap | Thermo Q Exactive Plus Orbitrap | Thermo Q Exactive Plus Orbitrap | Thermo Q Exactive Plus Orbitrap |
| Ion Mode | POSITIVE | NEGATIVE | POSITIVE | NEGATIVE |
| Units | MS count | MS count | MS count | MS count |
MS:
| MS ID: | MS002207 |
| Analysis ID: | AN002365 |
| Instrument Name: | Thermo Q Exactive Plus Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | Data processing. Data from each mode were independently analyzed using Progenesis QI software v2.3 (Nonlinear Dynamics). Metabolic features from blanks and that didn’t show sufficient linearity upon dilution were discarded. Only metabolic features present in >33% of the samples in each group were kept for further analysis and missing values were imputed by drawing from a random distribution of small values in the corresponding sample (Tyanova et al., 2016). Metabolic feature annotation. Annotation confidence levels for each metabolite were provided following the Metabolomics Standards Initiative (MSI) confidence scheme. Peak annotation was first performed by matching experimental m/z, retention time and MS/MS spectra to an in-house library of analytical-grade standards (level 1). Remaining peaks were identified by matching experimental m/z and fragmentation spectra to publicly available databases including HMDB (http://www.hmdb.ca/), MoNA (http://mona.fiehnlab.ucdavis.edu/) and MassBank (http://www.massbank.jp/) using the R package ‘MetID’ (v0.2.0) (PMID: 30944337) (level 2). Briefly, metabolic feature tables from Progenesis QI were matched to fragmentation spectra with a m/z and a retention time window of ±15 ppm and ±30 s (HILIC) and ± 20 s (RPLC), respectively. When multiple MS/MS spectra match a single metabolic feature, all matched MS/MS spectra were used for the identification. Next, MS1 and MS2 pairs were searched against public databases and a similarity score was calculated using the forward dot–product algorithm which takes into account both fragments and intensities. Metabolites were reported if the similarity score was above 0.4. Level 3 corresponds to unknown metabolites. |
| Ion Mode: | POSITIVE |
| Capillary Temperature: | 375C |
| Capillary Voltage: | 3.4kV |
| Collision Energy: | 25 & 35 NCE |
| Collision Gas: | N2 |
| Dry Gas Temp: | 310C |
| MS ID: | MS002208 |
| Analysis ID: | AN002366 |
| Instrument Name: | Thermo Q Exactive Plus Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | Data processing. Data from each mode were independently analyzed using Progenesis QI software v2.3 (Nonlinear Dynamics). Metabolic features from blanks and that didn’t show sufficient linearity upon dilution were discarded. Only metabolic features present in >33% of the samples in each group were kept for further analysis and missing values were imputed by drawing from a random distribution of small values in the corresponding sample (Tyanova et al., 2016). Metabolic feature annotation. Annotation confidence levels for each metabolite were provided following the Metabolomics Standards Initiative (MSI) confidence scheme. Peak annotation was first performed by matching experimental m/z, retention time and MS/MS spectra to an in-house library of analytical-grade standards (level 1). Remaining peaks were identified by matching experimental m/z and fragmentation spectra to publicly available databases including HMDB (http://www.hmdb.ca/), MoNA (http://mona.fiehnlab.ucdavis.edu/) and MassBank (http://www.massbank.jp/) using the R package ‘MetID’ (v0.2.0) (PMID: 30944337) (level 2). Briefly, metabolic feature tables from Progenesis QI were matched to fragmentation spectra with a m/z and a retention time window of ±15 ppm and ±30 s (HILIC) and ± 20 s (RPLC), respectively. When multiple MS/MS spectra match a single metabolic feature, all matched MS/MS spectra were used for the identification. Next, MS1 and MS2 pairs were searched against public databases and a similarity score was calculated using the forward dot–product algorithm which takes into account both fragments and intensities. Metabolites were reported if the similarity score was above 0.4. Level 3 corresponds to unknown metabolites. |
| Ion Mode: | NEGATIVE |
| Capillary Temperature: | 375C |
| Capillary Voltage: | 3.4kV |
| Collision Energy: | 25 & 35 NCE |
| Collision Gas: | N2 |
| Dry Gas Temp: | 310C |
| MS ID: | MS002209 |
| Analysis ID: | AN002367 |
| Instrument Name: | Thermo Q Exactive Plus Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | Data processing. Data from each mode were independently analyzed using Progenesis QI software v2.3 (Nonlinear Dynamics). Metabolic features from blanks and that didn’t show sufficient linearity upon dilution were discarded. Only metabolic features present in >33% of the samples in each group were kept for further analysis and missing values were imputed by drawing from a random distribution of small values in the corresponding sample (Tyanova et al., 2016). Metabolic feature annotation. Annotation confidence levels for each metabolite were provided following the Metabolomics Standards Initiative (MSI) confidence scheme. Peak annotation was first performed by matching experimental m/z, retention time and MS/MS spectra to an in-house library of analytical-grade standards (level 1). Remaining peaks were identified by matching experimental m/z and fragmentation spectra to publicly available databases including HMDB (http://www.hmdb.ca/), MoNA (http://mona.fiehnlab.ucdavis.edu/) and MassBank (http://www.massbank.jp/) using the R package ‘MetID’ (v0.2.0) (PMID: 30944337) (level 2). Briefly, metabolic feature tables from Progenesis QI were matched to fragmentation spectra with a m/z and a retention time window of ±15 ppm and ±30 s (HILIC) and ± 20 s (RPLC), respectively. When multiple MS/MS spectra match a single metabolic feature, all matched MS/MS spectra were used for the identification. Next, MS1 and MS2 pairs were searched against public databases and a similarity score was calculated using the forward dot–product algorithm which takes into account both fragments and intensities. Metabolites were reported if the similarity score was above 0.4. Level 3 corresponds to unknown metabolites. |
| Ion Mode: | POSITIVE |
| Capillary Temperature: | 375C |
| Capillary Voltage: | 3.4kV |
| Collision Energy: | 25 & 50 NCE |
| Collision Gas: | N2 |
| Dry Gas Temp: | 310C |
| MS ID: | MS002210 |
| Analysis ID: | AN002368 |
| Instrument Name: | Thermo Q Exactive Plus Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | Data processing. Data from each mode were independently analyzed using Progenesis QI software v2.3 (Nonlinear Dynamics). Metabolic features from blanks and that didn’t show sufficient linearity upon dilution were discarded. Only metabolic features present in >33% of the samples in each group were kept for further analysis and missing values were imputed by drawing from a random distribution of small values in the corresponding sample (Tyanova et al., 2016). Metabolic feature annotation. Annotation confidence levels for each metabolite were provided following the Metabolomics Standards Initiative (MSI) confidence scheme. Peak annotation was first performed by matching experimental m/z, retention time and MS/MS spectra to an in-house library of analytical-grade standards (level 1). Remaining peaks were identified by matching experimental m/z and fragmentation spectra to publicly available databases including HMDB (http://www.hmdb.ca/), MoNA (http://mona.fiehnlab.ucdavis.edu/) and MassBank (http://www.massbank.jp/) using the R package ‘MetID’ (v0.2.0) (PMID: 30944337) (level 2). Briefly, metabolic feature tables from Progenesis QI were matched to fragmentation spectra with a m/z and a retention time window of ±15 ppm and ±30 s (HILIC) and ± 20 s (RPLC), respectively. When multiple MS/MS spectra match a single metabolic feature, all matched MS/MS spectra were used for the identification. Next, MS1 and MS2 pairs were searched against public databases and a similarity score was calculated using the forward dot–product algorithm which takes into account both fragments and intensities. Metabolites were reported if the similarity score was above 0.4. Level 3 corresponds to unknown metabolites. |
| Ion Mode: | NEGATIVE |
| Capillary Temperature: | 375C |
| Capillary Voltage: | 3.4kV |
| Collision Energy: | 25 & 50 NCE |
| Collision Gas: | N2 |
| Dry Gas Temp: | 310C |
