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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
13201 | D11_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | D11_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 | D11 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_D11_D-DIMS_NEGATIVE |
13202 | D11_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | D11_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 | D11 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_D11_D-DIMS_NEGATIVE |
13203 | D11_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | D11_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 | D11 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_D11_D-DIMS_NEGATIVE |
13204 | D12_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | D12_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 | D12 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_D12_D-DIMS_NEGATIVE |
13205 | D12_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | D12_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 | D12 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_D12_D-DIMS_NEGATIVE |
13206 | D12_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | D12_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 | D12 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_D12_D-DIMS_NEGATIVE |
13207 | D12_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | D12_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 | D12 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_D12_D-DIMS_NEGATIVE |
13208 | E01_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | E01_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 | E01 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_E01_D-DIMS_NEGATIVE |
13209 | E01_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | E01_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 | E01 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_E01_D-DIMS_NEGATIVE |
13210 | E01_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | E01_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 | E01 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_E01_D-DIMS_NEGATIVE |
13211 | E01_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | E01_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 | E01 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_E01_D-DIMS_NEGATIVE |
13212 | E02_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | E02_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 | E02 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_E02_D-DIMS_NEGATIVE |
13213 | E02_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | E02_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 | E02 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_E02_D-DIMS_NEGATIVE |
13214 | E02_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | E02_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 | E02 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_E02_D-DIMS_NEGATIVE |
13215 | E02_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | E02_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 | E02 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_E02_D-DIMS_NEGATIVE |
13216 | E03_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | E03_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 | E03 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_E03_D-DIMS_NEGATIVE |
13217 | E03_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | E03_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 | E03 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_E03_D-DIMS_NEGATIVE |
13218 | E03_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | E03_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 | E03 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_E03_D-DIMS_NEGATIVE |
13219 | E03_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | E03_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 | E03 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_E03_D-DIMS_NEGATIVE |
13220 | E04_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | E04_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 | E04 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_E04_D-DIMS_NEGATIVE |
13221 | E04_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | E04_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 | E04 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_E04_D-DIMS_NEGATIVE |
13222 | E04_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.raw | E04_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 | E04 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_E04_D-DIMS_NEGATIVE |
13223 | E04_Polar_Daph_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | E04_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 | E04 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-PHE_E04_D-DIMS_NEGATIVE |
13224 | E05_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.raw | E05_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 | E05 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_E05_D-DIMS_NEGATIVE |
13225 | E05_Polar_Blank_WCX1_Phenyl_LCMS_Neg_DIMS.mzML | E05_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 | E05 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-PHE_E05_D-DIMS_NEGATIVE |