Metabolomics Data File Summary
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Summary of raw spectral data files (and open source equivalents)
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Summary
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ID
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Original filename
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Data file
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Study
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Assay
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Sample name
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tech replicate
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Sample collection
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Liquid Phase Extraction (LPE)
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Solid Phase Extraction (SPE)
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SPE frac
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Chromatography
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Chromatography frac
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Measurement
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Polarity
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Code field
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| ID | Original filename | Data file | Study | Assay | Sample name | tech replicate | Sample collection | Liquid Phase Extraction (LPE) | Solid Phase Extraction (SPE) | SPE frac | Chromatography | Chromatography frac | Measurement | Polarity | Code field |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 17443 | 27_ColumnEquilibration_DaphniaPolarExtract_inj11.raw | 27_ColumnEquilibration_DaphniaPolarExtract_inj11.raw | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | EQUIL | 1 | NA | NA | NA | 0 | D-PHE | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-PHE_0_D-LCMS_POSITIVE |
| 17444 | 27_ColumnEquilibration_DaphniaPolarExtract_inj11.mzML | 27_ColumnEquilibration_DaphniaPolarExtract_inj11.mzML | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | EQUIL | 1 | NA | NA | NA | 0 | D-PHE | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-PHE_0_D-LCMS_POSITIVE |
| 17445 | 27_ColumnEquilibration_DaphniaPolarExtract_inj2.raw | 27_ColumnEquilibration_DaphniaPolarExtract_inj2.raw | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | EQUIL | 1 | NA | NA | NA | 0 | D-PHE | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-PHE_0_D-LCMS_POSITIVE |
| 17446 | 27_ColumnEquilibration_DaphniaPolarExtract_inj2.mzML | 27_ColumnEquilibration_DaphniaPolarExtract_inj2.mzML | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | EQUIL | 1 | NA | NA | NA | 0 | D-PHE | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-PHE_0_D-LCMS_POSITIVE |
| 17447 | 27_ColumnEquilibration_DaphniaPolarExtract_inj3.raw | 27_ColumnEquilibration_DaphniaPolarExtract_inj3.raw | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | EQUIL | 1 | NA | NA | NA | 0 | D-PHE | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-PHE_0_D-LCMS_POSITIVE |
| 17448 | 27_ColumnEquilibration_DaphniaPolarExtract_inj3.mzML | 27_ColumnEquilibration_DaphniaPolarExtract_inj3.mzML | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | EQUIL | 1 | NA | NA | NA | 0 | D-PHE | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-PHE_0_D-LCMS_POSITIVE |
| 17449 | 27_ColumnEquilibration_DaphniaPolarExtract_inj4.raw | 27_ColumnEquilibration_DaphniaPolarExtract_inj4.raw | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | EQUIL | 1 | NA | NA | NA | 0 | D-PHE | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-PHE_0_D-LCMS_POSITIVE |
| 17450 | 27_ColumnEquilibration_DaphniaPolarExtract_inj4.mzML | 27_ColumnEquilibration_DaphniaPolarExtract_inj4.mzML | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | EQUIL | 1 | NA | NA | NA | 0 | D-PHE | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-PHE_0_D-LCMS_POSITIVE |
| 17451 | 27_ColumnEquilibration_DaphniaPolarExtract_inj5.raw | 27_ColumnEquilibration_DaphniaPolarExtract_inj5.raw | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | EQUIL | 1 | NA | NA | NA | 0 | D-PHE | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-PHE_0_D-LCMS_POSITIVE |
| 17452 | 27_ColumnEquilibration_DaphniaPolarExtract_inj5.mzML | 27_ColumnEquilibration_DaphniaPolarExtract_inj5.mzML | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | EQUIL | 1 | NA | NA | NA | 0 | D-PHE | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-PHE_0_D-LCMS_POSITIVE |
| 17453 | 27_ColumnEquilibration_DaphniaPolarExtract_inj6.raw | 27_ColumnEquilibration_DaphniaPolarExtract_inj6.raw | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | EQUIL | 1 | NA | NA | NA | 0 | D-PHE | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-PHE_0_D-LCMS_POSITIVE |
| 17454 | 27_ColumnEquilibration_DaphniaPolarExtract_inj6.mzML | 27_ColumnEquilibration_DaphniaPolarExtract_inj6.mzML | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | EQUIL | 1 | NA | NA | NA | 0 | D-PHE | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-PHE_0_D-LCMS_POSITIVE |
| 17455 | 27_ColumnEquilibration_DaphniaPolarExtract_inj7.raw | 27_ColumnEquilibration_DaphniaPolarExtract_inj7.raw | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | EQUIL | 1 | NA | NA | NA | 0 | D-PHE | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-PHE_0_D-LCMS_POSITIVE |
| 17456 | 27_ColumnEquilibration_DaphniaPolarExtract_inj7.mzML | 27_ColumnEquilibration_DaphniaPolarExtract_inj7.mzML | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | EQUIL | 1 | NA | NA | NA | 0 | D-PHE | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-PHE_0_D-LCMS_POSITIVE |
| 17457 | 27_ColumnEquilibration_DaphniaPolarExtract_inj8_AfterFilterchange.raw | 27_ColumnEquilibration_DaphniaPolarExtract_inj8_AfterFilterchange.raw | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | EQUIL | 1 | NA | NA | NA | 0 | D-PHE | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-PHE_0_D-LCMS_POSITIVE |
| 17458 | 27_ColumnEquilibration_DaphniaPolarExtract_inj8_AfterFilterchange.mzML | 27_ColumnEquilibration_DaphniaPolarExtract_inj8_AfterFilterchange.mzML | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | EQUIL | 1 | NA | NA | NA | 0 | D-PHE | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-PHE_0_D-LCMS_POSITIVE |
| 17459 | 27_ColumnEquilibration_DaphniaPolarExtract_inj9_AfterFilterChange.raw | 27_ColumnEquilibration_DaphniaPolarExtract_inj9_AfterFilterChange.raw | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | EQUIL | 1 | NA | NA | NA | 0 | D-PHE | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-PHE_0_D-LCMS_POSITIVE |
| 17460 | 27_ColumnEquilibration_DaphniaPolarExtract_inj9_AfterFilterChange.mzML | 27_ColumnEquilibration_DaphniaPolarExtract_inj9_AfterFilterChange.mzML | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | EQUIL | 1 | NA | NA | NA | 0 | D-PHE | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-PHE_0_D-LCMS_POSITIVE |
| 17461 | 27_SolventBlank_pos_inj1.raw | 27_SolventBlank_pos_inj1.raw | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | EQUIL_BLANK | 1 | NA | NA | NA | 0 | D-PHE | 0 | D-LCMS | POSITIVE | EQUIL_BLANK_NA_NA_NA_0_D-PHE_0_D-LCMS_POSITIVE |
| 17462 | 27_SolventBlank_pos_inj1.mzML | 27_SolventBlank_pos_inj1.mzML | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | EQUIL_BLANK | 1 | NA | NA | NA | 0 | D-PHE | 0 | D-LCMS | POSITIVE | EQUIL_BLANK_NA_NA_NA_0_D-PHE_0_D-LCMS_POSITIVE |
| 17463 | 27_SolventBlank_pos_inj2.raw | 27_SolventBlank_pos_inj2.raw | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | EQUIL_BLANK | 1 | NA | NA | NA | 0 | D-PHE | 0 | D-LCMS | POSITIVE | EQUIL_BLANK_NA_NA_NA_0_D-PHE_0_D-LCMS_POSITIVE |
| 17464 | 27_SolventBlank_pos_inj2.mzML | 27_SolventBlank_pos_inj2.mzML | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | EQUIL_BLANK | 1 | NA | NA | NA | 0 | D-PHE | 0 | D-LCMS | POSITIVE | EQUIL_BLANK_NA_NA_NA_0_D-PHE_0_D-LCMS_POSITIVE |
| 17465 | 27_SolventBlank_pos_inj3.raw | 27_SolventBlank_pos_inj3.raw | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | EQUIL_BLANK | 1 | NA | NA | NA | 0 | D-PHE | 0 | D-LCMS | POSITIVE | EQUIL_BLANK_NA_NA_NA_0_D-PHE_0_D-LCMS_POSITIVE |
| 17466 | 27_SolventBlank_pos_inj3.mzML | 27_SolventBlank_pos_inj3.mzML | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | EQUIL_BLANK | 1 | NA | NA | NA | 0 | D-PHE | 0 | D-LCMS | POSITIVE | EQUIL_BLANK_NA_NA_NA_0_D-PHE_0_D-LCMS_POSITIVE |
| 17467 | 27_SolventBlank_pos_prerun.raw | 27_SolventBlank_pos_prerun.raw | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | EQUIL_BLANK | 1 | NA | NA | NA | 0 | D-PHE | 0 | D-LCMS | POSITIVE | EQUIL_BLANK_NA_NA_NA_0_D-PHE_0_D-LCMS_POSITIVE |