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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
13226 | E05_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | E05_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 | E05 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_E05_D-DIMS_NEGATIVE |
13227 | E05_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | E05_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 | E05 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_E05_D-DIMS_NEGATIVE |
13228 | E06_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.raw | E06_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 | E06 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_E06_D-DIMS_NEGATIVE |
13229 | E06_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.mzML | E06_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 | E06 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_E06_D-DIMS_NEGATIVE |
13230 | E06_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | E06_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 | E06 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_E06_D-DIMS_NEGATIVE |
13231 | E06_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | E06_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 | E06 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_E06_D-DIMS_NEGATIVE |
13232 | E07_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.raw | E07_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 | E07 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_E07_D-DIMS_NEGATIVE |
13233 | E07_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.mzML | E07_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 | E07 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_E07_D-DIMS_NEGATIVE |
13234 | E07_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.raw | E07_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 | E07 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_E07_D-DIMS_NEGATIVE |
13235 | E07_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.mzML | E07_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 | E07 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_E07_D-DIMS_NEGATIVE |
13236 | E08_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | E08_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 | E08 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_E08_D-DIMS_NEGATIVE |
13237 | E08_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | E08_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 | E08 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_E08_D-DIMS_NEGATIVE |
13238 | E08_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | E08_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 | E08 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_E08_D-DIMS_NEGATIVE |
13239 | E08_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | E08_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 | E08 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_E08_D-DIMS_NEGATIVE |
13240 | E09_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | E09_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 | E09 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_E09_D-DIMS_NEGATIVE |
13241 | E09_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | E09_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 | E09 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_E09_D-DIMS_NEGATIVE |
13242 | E09_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | E09_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 | E09 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_E09_D-DIMS_NEGATIVE |
13243 | E09_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | E09_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 | E09 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_E09_D-DIMS_NEGATIVE |
13244 | E10_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.raw | E10_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 | E10 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_E10_D-DIMS_NEGATIVE |
13245 | E10_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.mzML | E10_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 | E10 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_E10_D-DIMS_NEGATIVE |
13246 | E10_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.raw | E10_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 | E10 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_E10_D-DIMS_NEGATIVE |
13247 | E10_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.mzML | E10_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 | E10 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_E10_D-DIMS_NEGATIVE |
13248 | E11_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | E11_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 | E11 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_E11_D-DIMS_NEGATIVE |
13249 | E11_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | E11_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 | E11 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_E11_D-DIMS_NEGATIVE |
13250 | E11_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | E11_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 | E11 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_E11_D-DIMS_NEGATIVE |