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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
11801 | A12_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.raw | A12_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.raw | DMA of D. magna (2022) | POL_WAX_4_PHE_NEG | BLANK | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | A12 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-PHE_A12_D-DIMS_NEGATIVE |
11802 | A12_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | A12_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | DMA of D. magna (2022) | POL_WAX_4_PHE_NEG | BLANK | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | A12 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-PHE_A12_D-DIMS_NEGATIVE |
11803 | A12_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.raw | A12_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.raw | DMA of D. magna (2022) | POL_WAX_4_PHE_NEG | DAPH | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | A12 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-PHE_A12_D-DIMS_NEGATIVE |
11804 | A12_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | A12_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | DMA of D. magna (2022) | POL_WAX_4_PHE_NEG | DAPH | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | A12 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-PHE_A12_D-DIMS_NEGATIVE |
11805 | B01_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.raw | B01_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.raw | DMA of D. magna (2022) | POL_WAX_4_PHE_NEG | BLANK | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | B01 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-PHE_B01_D-DIMS_NEGATIVE |
11806 | B01_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | B01_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | DMA of D. magna (2022) | POL_WAX_4_PHE_NEG | BLANK | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | B01 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-PHE_B01_D-DIMS_NEGATIVE |
11807 | B01_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.raw | B01_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.raw | DMA of D. magna (2022) | POL_WAX_4_PHE_NEG | DAPH | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | B01 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-PHE_B01_D-DIMS_NEGATIVE |
11808 | B01_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | B01_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | DMA of D. magna (2022) | POL_WAX_4_PHE_NEG | DAPH | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | B01 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-PHE_B01_D-DIMS_NEGATIVE |
11809 | B02_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.raw | B02_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.raw | DMA of D. magna (2022) | POL_WAX_4_PHE_NEG | BLANK | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | B02 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-PHE_B02_D-DIMS_NEGATIVE |
11810 | B02_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | B02_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | DMA of D. magna (2022) | POL_WAX_4_PHE_NEG | BLANK | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | B02 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-PHE_B02_D-DIMS_NEGATIVE |
11811 | B02_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.raw | B02_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.raw | DMA of D. magna (2022) | POL_WAX_4_PHE_NEG | DAPH | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | B02 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-PHE_B02_D-DIMS_NEGATIVE |
11812 | B02_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | B02_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | DMA of D. magna (2022) | POL_WAX_4_PHE_NEG | DAPH | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | B02 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-PHE_B02_D-DIMS_NEGATIVE |
11813 | B03_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.raw | B03_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.raw | DMA of D. magna (2022) | POL_WAX_4_PHE_NEG | BLANK | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | B03 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-PHE_B03_D-DIMS_NEGATIVE |
11814 | B03_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | B03_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | DMA of D. magna (2022) | POL_WAX_4_PHE_NEG | BLANK | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | B03 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-PHE_B03_D-DIMS_NEGATIVE |
11815 | B03_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.raw | B03_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.raw | DMA of D. magna (2022) | POL_WAX_4_PHE_NEG | DAPH | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | B03 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-PHE_B03_D-DIMS_NEGATIVE |
11816 | B03_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | B03_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | DMA of D. magna (2022) | POL_WAX_4_PHE_NEG | DAPH | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | B03 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-PHE_B03_D-DIMS_NEGATIVE |
11817 | B04_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.raw | B04_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.raw | DMA of D. magna (2022) | POL_WAX_4_PHE_NEG | BLANK | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | B04 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-PHE_B04_D-DIMS_NEGATIVE |
11818 | B04_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.raw | B04_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.raw | DMA of D. magna (2022) | POL_WAX_4_PHE_NEG | DAPH | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | B04 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-PHE_B04_D-DIMS_NEGATIVE |
11819 | B04_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | B04_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | DMA of D. magna (2022) | POL_WAX_4_PHE_NEG | DAPH | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | B04 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-PHE_B04_D-DIMS_NEGATIVE |
11820 | B05_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.raw | B05_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.raw | DMA of D. magna (2022) | POL_WAX_4_PHE_NEG | BLANK | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | B05 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-PHE_B05_D-DIMS_NEGATIVE |
11821 | B05_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | B05_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | DMA of D. magna (2022) | POL_WAX_4_PHE_NEG | BLANK | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | B05 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-PHE_B05_D-DIMS_NEGATIVE |
11822 | B05_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.raw | B05_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.raw | DMA of D. magna (2022) | POL_WAX_4_PHE_NEG | DAPH | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | B05 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-PHE_B05_D-DIMS_NEGATIVE |
11823 | B05_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | B05_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | DMA of D. magna (2022) | POL_WAX_4_PHE_NEG | DAPH | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | B05 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-PHE_B05_D-DIMS_NEGATIVE |
11824 | B06_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.raw | B06_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.raw | DMA of D. magna (2022) | POL_WAX_4_PHE_NEG | BLANK | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | B06 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-PHE_B06_D-DIMS_NEGATIVE |
11825 | B06_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | B06_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | DMA of D. magna (2022) | POL_WAX_4_PHE_NEG | BLANK | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | B06 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-PHE_B06_D-DIMS_NEGATIVE |