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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
13251 | E11_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | E11_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 | E11 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_E11_D-DIMS_NEGATIVE |
13252 | E12_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.raw | E12_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 | E12 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_E12_D-DIMS_NEGATIVE |
13253 | E12_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.mzML | E12_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 | E12 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_E12_D-DIMS_NEGATIVE |
13254 | E12_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | E12_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 | E12 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_E12_D-DIMS_NEGATIVE |
13255 | E12_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | E12_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 | E12 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_E12_D-DIMS_NEGATIVE |
13256 | F01_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | F01_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 | F01 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_F01_D-DIMS_NEGATIVE |
13257 | F01_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | F01_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 | F01 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_F01_D-DIMS_NEGATIVE |
13258 | F01_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | F01_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 | F01 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_F01_D-DIMS_NEGATIVE |
13259 | F01_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | F01_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 | F01 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_F01_D-DIMS_NEGATIVE |
13260 | F02_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | F02_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 | F02 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_F02_D-DIMS_NEGATIVE |
13261 | F02_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | F02_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 | F02 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_F02_D-DIMS_NEGATIVE |
13262 | F02_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.raw | F02_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 | F02 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_F02_D-DIMS_NEGATIVE |
13263 | F02_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.mzML | F02_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 | F02 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_F02_D-DIMS_NEGATIVE |
13264 | F03_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | F03_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 | F03 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_F03_D-DIMS_NEGATIVE |
13265 | F03_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | F03_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 | F03 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_F03_D-DIMS_NEGATIVE |
13266 | F03_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | F03_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 | F03 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_F03_D-DIMS_NEGATIVE |
13267 | F03_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | F03_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 | F03 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_F03_D-DIMS_NEGATIVE |
13268 | F04_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | F04_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 | F04 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_F04_D-DIMS_NEGATIVE |
13269 | F04_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | F04_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 | F04 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_F04_D-DIMS_NEGATIVE |
13270 | F04_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | F04_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 | F04 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_F04_D-DIMS_NEGATIVE |
13271 | F04_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | F04_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 | F04 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_F04_D-DIMS_NEGATIVE |
13272 | F05_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | F05_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 | F05 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_F05_D-DIMS_NEGATIVE |
13273 | F05_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | F05_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 | F05 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_F05_D-DIMS_NEGATIVE |
13274 | F05_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | F05_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 | F05 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_F05_D-DIMS_NEGATIVE |
13275 | F05_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | F05_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 | F05 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_F05_D-DIMS_NEGATIVE |