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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
13026 | A03_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | A03_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 | A03 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_A03_D-DIMS_NEGATIVE |
13027 | A03_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | A03_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 | A03 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_A03_D-DIMS_NEGATIVE |
13028 | A03_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | A03_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 | A03 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_A03_D-DIMS_NEGATIVE |
13029 | A03_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | A03_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 | A03 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_A03_D-DIMS_NEGATIVE |
13030 | A04_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.raw | A04_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 | A04 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_A04_D-DIMS_NEGATIVE |
13031 | A04_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.mzML | A04_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 | A04 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_A04_D-DIMS_NEGATIVE |
13032 | A04_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | A04_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 | A04 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_A04_D-DIMS_NEGATIVE |
13033 | A04_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | A04_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 | A04 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_A04_D-DIMS_NEGATIVE |
13034 | A05_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.raw | A05_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 | A05 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_A05_D-DIMS_NEGATIVE |
13035 | A05_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.mzML | A05_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 | A05 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_A05_D-DIMS_NEGATIVE |
13036 | A05_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | A05_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 | A05 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_A05_D-DIMS_NEGATIVE |
13037 | A05_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | A05_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 | A05 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_A05_D-DIMS_NEGATIVE |
13038 | A06_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | A06_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 | A06 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_A06_D-DIMS_NEGATIVE |
13039 | A06_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | A06_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 | A06 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_A06_D-DIMS_NEGATIVE |
13040 | A06_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | A06_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 | A06 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_A06_D-DIMS_NEGATIVE |
13041 | A06_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | A06_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 | A06 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_A06_D-DIMS_NEGATIVE |
13042 | A07_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | A07_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 | A07 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_A07_D-DIMS_NEGATIVE |
13043 | A07_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | A07_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 | A07 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_A07_D-DIMS_NEGATIVE |
13044 | A07_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.raw | A07_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 | A07 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_A07_D-DIMS_NEGATIVE |
13045 | A07_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.mzML | A07_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 | A07 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_A07_D-DIMS_NEGATIVE |
13046 | A08_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | A08_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 | A08 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_A08_D-DIMS_NEGATIVE |
13047 | A08_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | A08_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 | A08 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_A08_D-DIMS_NEGATIVE |
13048 | A08_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | A08_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 | A08 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_A08_D-DIMS_NEGATIVE |
13049 | A08_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | A08_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 | A08 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_A08_D-DIMS_NEGATIVE |
13050 | A09_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS_rerun.raw | A09_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 | A09 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_A09_D-DIMS_NEGATIVE |