Summary of raw spectral data files (and open source equivalents)
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
13176 | D05_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | D05_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | DMA of D. magna (2022) | POL_WCX_1_PHE_NEG | BLANK | 1 | D-CULT | D-POL | D-WCX | 1 | D-PHE | D05 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_D05_D-DIMS_NEGATIVE |
13177 | D05_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | D05_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | DMA of D. magna (2022) | POL_WCX_1_PHE_NEG | BLANK | 1 | D-CULT | D-POL | D-WCX | 1 | D-PHE | D05 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_D05_D-DIMS_NEGATIVE |
13178 | D05_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | D05_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | DMA of D. magna (2022) | POL_WCX_1_PHE_NEG | DAPH | 1 | D-CULT | D-POL | D-WCX | 1 | D-PHE | D05 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_D05_D-DIMS_NEGATIVE |
13179 | D05_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | D05_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | DMA of D. magna (2022) | POL_WCX_1_PHE_NEG | DAPH | 1 | D-CULT | D-POL | D-WCX | 1 | D-PHE | D05 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_D05_D-DIMS_NEGATIVE |
13180 | D06_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | D06_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | DMA of D. magna (2022) | POL_WCX_1_PHE_NEG | BLANK | 1 | D-CULT | D-POL | D-WCX | 1 | D-PHE | D06 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_D06_D-DIMS_NEGATIVE |
13181 | D06_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | D06_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | DMA of D. magna (2022) | POL_WCX_1_PHE_NEG | BLANK | 1 | D-CULT | D-POL | D-WCX | 1 | D-PHE | D06 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_D06_D-DIMS_NEGATIVE |
13182 | D06_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | D06_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | DMA of D. magna (2022) | POL_WCX_1_PHE_NEG | DAPH | 1 | D-CULT | D-POL | D-WCX | 1 | D-PHE | D06 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_D06_D-DIMS_NEGATIVE |
13183 | D06_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | D06_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | DMA of D. magna (2022) | POL_WCX_1_PHE_NEG | DAPH | 1 | D-CULT | D-POL | D-WCX | 1 | D-PHE | D06 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_D06_D-DIMS_NEGATIVE |
13184 | D07_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | D07_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | DMA of D. magna (2022) | POL_WCX_1_PHE_NEG | BLANK | 1 | D-CULT | D-POL | D-WCX | 1 | D-PHE | D07 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_D07_D-DIMS_NEGATIVE |
13185 | D07_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | D07_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | DMA of D. magna (2022) | POL_WCX_1_PHE_NEG | BLANK | 1 | D-CULT | D-POL | D-WCX | 1 | D-PHE | D07 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_D07_D-DIMS_NEGATIVE |
13186 | D07_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.raw | D07_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.raw | DMA of D. magna (2022) | POL_WCX_1_PHE_NEG | DAPH | 1 | D-CULT | D-POL | D-WCX | 1 | D-PHE | D07 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_D07_D-DIMS_NEGATIVE |
13187 | D07_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.mzML | D07_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.mzML | DMA of D. magna (2022) | POL_WCX_1_PHE_NEG | DAPH | 1 | D-CULT | D-POL | D-WCX | 1 | D-PHE | D07 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_D07_D-DIMS_NEGATIVE |
13188 | D08_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.raw | D08_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.raw | DMA of D. magna (2022) | POL_WCX_1_PHE_NEG | BLANK | 1 | D-CULT | D-POL | D-WCX | 1 | D-PHE | D08 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_D08_D-DIMS_NEGATIVE |
13189 | D08_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.mzML | D08_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.mzML | DMA of D. magna (2022) | POL_WCX_1_PHE_NEG | BLANK | 1 | D-CULT | D-POL | D-WCX | 1 | D-PHE | D08 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_D08_D-DIMS_NEGATIVE |
13190 | D08_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | D08_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | DMA of D. magna (2022) | POL_WCX_1_PHE_NEG | DAPH | 1 | D-CULT | D-POL | D-WCX | 1 | D-PHE | D08 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_D08_D-DIMS_NEGATIVE |
13191 | D08_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | D08_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | DMA of D. magna (2022) | POL_WCX_1_PHE_NEG | DAPH | 1 | D-CULT | D-POL | D-WCX | 1 | D-PHE | D08 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_D08_D-DIMS_NEGATIVE |
13192 | D09_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | D09_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | DMA of D. magna (2022) | POL_WCX_1_PHE_NEG | BLANK | 1 | D-CULT | D-POL | D-WCX | 1 | D-PHE | D09 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_D09_D-DIMS_NEGATIVE |
13193 | D09_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | D09_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | DMA of D. magna (2022) | POL_WCX_1_PHE_NEG | BLANK | 1 | D-CULT | D-POL | D-WCX | 1 | D-PHE | D09 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_D09_D-DIMS_NEGATIVE |
13194 | D09_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | D09_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | DMA of D. magna (2022) | POL_WCX_1_PHE_NEG | DAPH | 1 | D-CULT | D-POL | D-WCX | 1 | D-PHE | D09 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_D09_D-DIMS_NEGATIVE |
13195 | D09_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | D09_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | DMA of D. magna (2022) | POL_WCX_1_PHE_NEG | DAPH | 1 | D-CULT | D-POL | D-WCX | 1 | D-PHE | D09 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_D09_D-DIMS_NEGATIVE |
13196 | D10_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | D10_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | DMA of D. magna (2022) | POL_WCX_1_PHE_NEG | BLANK | 1 | D-CULT | D-POL | D-WCX | 1 | D-PHE | D10 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_D10_D-DIMS_NEGATIVE |
13197 | D10_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | D10_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | DMA of D. magna (2022) | POL_WCX_1_PHE_NEG | BLANK | 1 | D-CULT | D-POL | D-WCX | 1 | D-PHE | D10 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_D10_D-DIMS_NEGATIVE |
13198 | D10_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | D10_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | DMA of D. magna (2022) | POL_WCX_1_PHE_NEG | DAPH | 1 | D-CULT | D-POL | D-WCX | 1 | D-PHE | D10 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_D10_D-DIMS_NEGATIVE |
13199 | D10_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | D10_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | DMA of D. magna (2022) | POL_WCX_1_PHE_NEG | DAPH | 1 | D-CULT | D-POL | D-WCX | 1 | D-PHE | D10 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_D10_D-DIMS_NEGATIVE |
13200 | D11_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | D11_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | DMA of D. magna (2022) | POL_WCX_1_PHE_NEG | BLANK | 1 | D-CULT | D-POL | D-WCX | 1 | D-PHE | D11 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_D11_D-DIMS_NEGATIVE |