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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
13126 | C04_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | C04_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 | C04 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_C04_D-DIMS_NEGATIVE |
13127 | C04_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | C04_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 | C04 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_C04_D-DIMS_NEGATIVE |
13128 | C04_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | C04_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 | C04 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_C04_D-DIMS_NEGATIVE |
13129 | C05_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.raw | C05_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 | C05 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_C05_D-DIMS_NEGATIVE |
13130 | C05_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.mzML | C05_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 | C05 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_C05_D-DIMS_NEGATIVE |
13131 | C05_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.raw | C05_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 | C05 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_C05_D-DIMS_NEGATIVE |
13132 | C05_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.mzML | C05_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 | C05 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_C05_D-DIMS_NEGATIVE |
13133 | C06_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | C06_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 | C06 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_C06_D-DIMS_NEGATIVE |
13134 | C06_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | C06_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 | C06 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_C06_D-DIMS_NEGATIVE |
13135 | C06_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | C06_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 | C06 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_C06_D-DIMS_NEGATIVE |
13136 | C06_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | C06_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 | C06 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_C06_D-DIMS_NEGATIVE |
13137 | C07_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | C07_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 | C07 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_C07_D-DIMS_NEGATIVE |
13138 | C07_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | C07_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 | C07 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_C07_D-DIMS_NEGATIVE |
13139 | C07_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | C07_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 | C07 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_C07_D-DIMS_NEGATIVE |
13140 | C07_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | C07_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 | C07 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_C07_D-DIMS_NEGATIVE |
13141 | C08_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | C08_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 | C08 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_C08_D-DIMS_NEGATIVE |
13142 | C08_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | C08_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 | C08 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_C08_D-DIMS_NEGATIVE |
13143 | C08_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | C08_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 | C08 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_C08_D-DIMS_NEGATIVE |
13144 | C08_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | C08_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 | C08 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_C08_D-DIMS_NEGATIVE |
13145 | C09_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | C09_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 | C09 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_C09_D-DIMS_NEGATIVE |
13146 | C09_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | C09_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 | C09 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_C09_D-DIMS_NEGATIVE |
13147 | C09_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.raw | C09_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 | C09 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_C09_D-DIMS_NEGATIVE |
13148 | C09_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.mzML | C09_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 | C09 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_C09_D-DIMS_NEGATIVE |
13149 | C10_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | C10_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 | C10 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_C10_D-DIMS_NEGATIVE |
13150 | C10_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | C10_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 | C10 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_C10_D-DIMS_NEGATIVE |