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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
11751 | MSM_WAX4_pos_inj3.raw | MSM_WAX4_pos_inj3.raw | DMA of D. magna (2022) | POL_WAX_4_PHE_MSM_POS | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | 0 | D-LCMS | POSITIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-PHE_0_D-LCMS_POSITIVE |
11752 | MSM_WAX4_pos_inj3.mzML | MSM_WAX4_pos_inj3.mzML | DMA of D. magna (2022) | POL_WAX_4_PHE_MSM_POS | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | 0 | D-LCMS | POSITIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-PHE_0_D-LCMS_POSITIVE |
11753 | MSM_WAX4_LCMSMS_pos_COMBO_inj1_151216215606.raw | MSM_WAX4_LCMSMS_pos_COMBO_inj1_151216215606.raw | DMA of D. magna (2022) | POL_WAX_4_PHE_MSM_POS | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | 0 | D-LCMSMS | POSITIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-PHE_0_D-LCMSMS_POSITIVE |
11754 | MSM_WAX4_LCMSMS_pos_COMBO_inj1_151216215606.mzML | MSM_WAX4_LCMSMS_pos_COMBO_inj1_151216215606.mzML | DMA of D. magna (2022) | POL_WAX_4_PHE_MSM_POS | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | 0 | D-LCMSMS | POSITIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-PHE_0_D-LCMSMS_POSITIVE |
11755 | MSM_WAX4_LCMSMS_pos_COMBO_inj2.raw | MSM_WAX4_LCMSMS_pos_COMBO_inj2.raw | DMA of D. magna (2022) | POL_WAX_4_PHE_MSM_POS | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | 0 | D-LCMSMS | POSITIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-PHE_0_D-LCMSMS_POSITIVE |
11756 | MSM_WAX4_LCMSMS_pos_COMBO_inj2.mzML | MSM_WAX4_LCMSMS_pos_COMBO_inj2.mzML | DMA of D. magna (2022) | POL_WAX_4_PHE_MSM_POS | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | 0 | D-LCMSMS | POSITIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-PHE_0_D-LCMSMS_POSITIVE |
11757 | A01_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.raw | A01_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 | A01 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-PHE_A01_D-DIMS_NEGATIVE |
11758 | A01_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | A01_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 | A01 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-PHE_A01_D-DIMS_NEGATIVE |
11759 | A01_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.raw | A01_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 | A01 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-PHE_A01_D-DIMS_NEGATIVE |
11760 | A01_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | A01_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 | A01 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-PHE_A01_D-DIMS_NEGATIVE |
11761 | A02_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.raw | A02_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 | A02 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-PHE_A02_D-DIMS_NEGATIVE |
11762 | A02_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | A02_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 | A02 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-PHE_A02_D-DIMS_NEGATIVE |
11763 | A02_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.raw | A02_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 | A02 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-PHE_A02_D-DIMS_NEGATIVE |
11764 | A02_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | A02_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 | A02 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-PHE_A02_D-DIMS_NEGATIVE |
11765 | A03_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.raw | A03_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 | A03 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-PHE_A03_D-DIMS_NEGATIVE |
11766 | A03_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | A03_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 | A03 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-PHE_A03_D-DIMS_NEGATIVE |
11767 | A03_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.raw | A03_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 | A03 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-PHE_A03_D-DIMS_NEGATIVE |
11768 | A03_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | A03_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 | A03 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-PHE_A03_D-DIMS_NEGATIVE |
11769 | A04_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.raw | A04_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 | A04 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-PHE_A04_D-DIMS_NEGATIVE |
11770 | A04_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | A04_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 | A04 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-PHE_A04_D-DIMS_NEGATIVE |
11771 | A04_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.raw | A04_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 | A04 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-PHE_A04_D-DIMS_NEGATIVE |
11772 | A04_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | A04_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 | A04 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-PHE_A04_D-DIMS_NEGATIVE |
11773 | A05_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.raw | A05_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 | A05 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-PHE_A05_D-DIMS_NEGATIVE |
11774 | A05_Polar_Blank_WAX4_Phenyl_LCMS_Neg_DIMS.mzML | A05_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 | A05 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-PHE_A05_D-DIMS_NEGATIVE |
11775 | A05_Polar_Daph_WAX4_Phenyl_LCMS_Neg_DIMS.raw | A05_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 | A05 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-PHE_A05_D-DIMS_NEGATIVE |