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MB Sample ID: SA175779
| Local Sample ID: | 1901705378 |
| Subject ID: | SU001968 |
| Subject Type: | Human |
| Subject Species: | Homo sapiens |
| Taxonomy ID: | 9606 |
Select appropriate tab below to view additional metadata details:
Subject:
| Subject ID: | SU001968 |
| Subject Type: | Human |
| Subject Species: | Homo sapiens |
| Taxonomy ID: | 9606 |
Factors:
| Local Sample ID | MB Sample ID | Factor Level ID | Level Value | Factor Name |
|---|---|---|---|---|
| 1901705378 | SA175779 | FL021770 | 37 | Gestational Age At Sampling |
| 1901705378 | SA175779 | FL021770 | 37 | Gestational Age At Delivery |
| 1901705378 | SA175779 | FL021770 | 1 | Preeclampsia |
Collection:
| Collection ID: | CO001961 |
| Collection Summary: | Urine was collected from pregnant women |
| Sample Type: | Urine |
Treatment:
| Treatment ID: | TR001980 |
| Treatment Summary: | N/A |
Sample Preparation:
| Sampleprep ID: | SP001974 |
| Sampleprep Summary: | Urine samples were thawed on ice, prepared and analyzed randomly as previously described (Contrepois et al., 2015). Briefly, urine samples were diluted 1:4 with 75% acetonitrile and 100% water for HILIC- and RPLC-MS experiments, respectively. Each sample was spiked-in with 15 analytical-grade IS. |
Combined analysis:
| Analysis ID | AN003066 | AN003067 | AN003068 | AN003069 |
|---|---|---|---|---|
| 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 | EMD Millipore ZIC-HILIC (100 x 2.1mm,3.5um) | EMD Millipore 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 HF hybrid Orbitrap | Thermo Q Exactive HF hybrid Orbitrap | Thermo Q Exactive Orbitrap | Thermo Q Exactive Orbitrap |
| Ion Mode | POSITIVE | NEGATIVE | POSITIVE | NEGATIVE |
| Units | MS count | MS count | MS count | MS count |
Chromatography:
| Chromatography ID: | CH002270 |
| Chromatography Summary: | HILIC experiments were performed using a ZIC-HILIC column 2.1 x 100 mm, 3.5 μm, 200Å (Merck Millipore, Darmstadt, Germany) and mobile phase solvents consisting of 10 mM ammonium acetate in 50/50 acetonitrile/water (A) and 10 mM ammonium acetate in 95/5 acetonitrile/water (B). |
| Instrument Name: | Thermo Dionex Ultimate 3000 RS |
| Column Name: | EMD Millipore ZIC-HILIC (100 x 2.1mm,3.5um) |
| Solvent A: | 50% acetonitrile/50% water; 10mM ammonium acetate |
| Solvent B: | 95% acetonitrile/5% water; 10mM ammonium acetate |
| Chromatography Type: | HILIC |
| Chromatography ID: | CH002271 |
| Chromatography Summary: | RPLC experiments were performed using a Zorbax SBaq column 2.1 x 50 mm, 1.7 μm, 100Å (Agilent Technologies, Palo Alto, CA) and mobile phase solvents consisting of 0.06% acetic acid in water (A) and 0.06% acetic acid in methanol (B). |
| Instrument Name: | Thermo Dionex Ultimate 3000 RS |
| Column Name: | Agilent Zorbax SBaq (50 x 2.1mm,1.7um) |
| Solvent A: | 100% water; 0.06% acetic acid |
| Solvent B: | 100% methanol; 0.06% acetic acid |
| Chromatography Type: | Reversed phase |
MS:
| MS ID: | MS002853 |
| Analysis ID: | AN003066 |
| Instrument Name: | Thermo Q Exactive HF hybrid Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | Data were acquired on a Thermo Q Exactive HF mass spectrometer for HILIC and a Thermo Q Exactive mass spectrometer for RPLC operated in full MS scan mode. MS/MS data were acquired on quality control samples (QC) consisting of an equimolar mixture of all samples in the study. Data from each mode were independently processed using Progenesis QI software (v2.3) (Nonlinear Dynamics, Durham, NC). Metabolic features from blanks and those that didn’t show sufficient linearity upon dilution in QC samples (r<0.6) were discarded. Only metabolic features present in >2/3 of the samples were kept for further analysis. Inter- and intra-batch variations was were corrected using the LOESS (locally estimated scatterplot smoothing Local Regression) normalization method on QC injected repetitively along the batches (span = 0.75). Missing values were imputed by drawing from a random distribution of low values in the corresponding sample. |
| Ion Mode: | POSITIVE |
| MS ID: | MS002854 |
| Analysis ID: | AN003067 |
| Instrument Name: | Thermo Q Exactive HF hybrid Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | Data were acquired on a Thermo Q Exactive HF mass spectrometer for HILIC and a Thermo Q Exactive mass spectrometer for RPLC operated in full MS scan mode. MS/MS data were acquired on quality control samples (QC) consisting of an equimolar mixture of all samples in the study. Data from each mode were independently processed using Progenesis QI software (v2.3) (Nonlinear Dynamics, Durham, NC). Metabolic features from blanks and those that didn’t show sufficient linearity upon dilution in QC samples (r<0.6) were discarded. Only metabolic features present in >2/3 of the samples were kept for further analysis. Inter- and intra-batch variations was were corrected using the LOESS (locally estimated scatterplot smoothing Local Regression) normalization method on QC injected repetitively along the batches (span = 0.75). Missing values were imputed by drawing from a random distribution of low values in the corresponding sample. |
| Ion Mode: | NEGATIVE |
| MS ID: | MS002855 |
| Analysis ID: | AN003068 |
| Instrument Name: | Thermo Q Exactive Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | Data were acquired on a Thermo Q Exactive HF mass spectrometer for HILIC and a Thermo Q Exactive mass spectrometer for RPLC operated in full MS scan mode. MS/MS data were acquired on quality control samples (QC) consisting of an equimolar mixture of all samples in the study. Data from each mode were independently processed using Progenesis QI software (v2.3) (Nonlinear Dynamics, Durham, NC). Metabolic features from blanks and those that didn’t show sufficient linearity upon dilution in QC samples (r<0.6) were discarded. Only metabolic features present in >2/3 of the samples were kept for further analysis. Inter- and intra-batch variations was were corrected using the LOESS (locally estimated scatterplot smoothing Local Regression) normalization method on QC injected repetitively along the batches (span = 0.75). Missing values were imputed by drawing from a random distribution of low values in the corresponding sample. |
| Ion Mode: | POSITIVE |
| MS ID: | MS002856 |
| Analysis ID: | AN003069 |
| Instrument Name: | Thermo Q Exactive Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | Data were acquired on a Thermo Q Exactive HF mass spectrometer for HILIC and a Thermo Q Exactive mass spectrometer for RPLC operated in full MS scan mode. MS/MS data were acquired on quality control samples (QC) consisting of an equimolar mixture of all samples in the study. Data from each mode were independently processed using Progenesis QI software (v2.3) (Nonlinear Dynamics, Durham, NC). Metabolic features from blanks and those that didn’t show sufficient linearity upon dilution in QC samples (r<0.6) were discarded. Only metabolic features present in >2/3 of the samples were kept for further analysis. Inter- and intra-batch variations was were corrected using the LOESS (locally estimated scatterplot smoothing Local Regression) normalization method on QC injected repetitively along the batches (span = 0.75). Missing values were imputed by drawing from a random distribution of low values in the corresponding sample. |
| Ion Mode: | NEGATIVE |
