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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
13151 | C10_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | C10_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 | C10 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_C10_D-DIMS_NEGATIVE |
13152 | C11_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | C11_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 | C11 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_C11_D-DIMS_NEGATIVE |
13153 | C11_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | C11_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 | C11 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_C11_D-DIMS_NEGATIVE |
13154 | C11_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.raw | C11_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 | C11 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_C11_D-DIMS_NEGATIVE |
13155 | C11_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.mzML | C11_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 | C11 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_C11_D-DIMS_NEGATIVE |
13156 | C12_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | C12_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 | C12 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_C12_D-DIMS_NEGATIVE |
13157 | C12_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | C12_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 | C12 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_C12_D-DIMS_NEGATIVE |
13158 | C12_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.raw | C12_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 | C12 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_C12_D-DIMS_NEGATIVE |
13159 | C12_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.mzML | C12_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 | C12 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_C12_D-DIMS_NEGATIVE |
13160 | D01_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | D01_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 | D01 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_D01_D-DIMS_NEGATIVE |
13161 | D01_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | D01_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 | D01 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_D01_D-DIMS_NEGATIVE |
13162 | D01_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | D01_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 | D01 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_D01_D-DIMS_NEGATIVE |
13163 | D01_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | D01_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 | D01 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_D01_D-DIMS_NEGATIVE |
13164 | D02_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | D02_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 | D02 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_D02_D-DIMS_NEGATIVE |
13165 | D02_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | D02_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 | D02 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_D02_D-DIMS_NEGATIVE |
13166 | D02_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | D02_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 | D02 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_D02_D-DIMS_NEGATIVE |
13167 | D02_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | D02_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 | D02 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_D02_D-DIMS_NEGATIVE |
13168 | D03_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | D03_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 | D03 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_D03_D-DIMS_NEGATIVE |
13169 | D03_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | D03_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 | D03 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_D03_D-DIMS_NEGATIVE |
13170 | D03_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | D03_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 | D03 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_D03_D-DIMS_NEGATIVE |
13171 | D03_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | D03_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 | D03 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_D03_D-DIMS_NEGATIVE |
13172 | D04_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | D04_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 | D04 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_D04_D-DIMS_NEGATIVE |
13173 | D04_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | D04_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 | D04 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_D04_D-DIMS_NEGATIVE |
13174 | D04_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | D04_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 | D04 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_D04_D-DIMS_NEGATIVE |
13175 | D04_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | D04_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 | D04 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_D04_D-DIMS_NEGATIVE |