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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
11726 | R_B_P_WAX_4_AMD_NA_LC-MS_POS_MJ_REP2.mzML | R_B_P_WAX_4_AMD_NA_LC-MS_POS_MJ_REP2.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_REPEAT_POS | BLANK | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMS_POSITIVE |
11727 | R_B_P_WAX_4_AMD_NA_LC-MS_POS_MJ_REP3.raw | R_B_P_WAX_4_AMD_NA_LC-MS_POS_MJ_REP3.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_REPEAT_POS | BLANK | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMS_POSITIVE |
11728 | R_B_P_WAX_4_AMD_NA_LC-MS_POS_MJ_REP3.mzML | R_B_P_WAX_4_AMD_NA_LC-MS_POS_MJ_REP3.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_REPEAT_POS | BLANK | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMS_POSITIVE |
11729 | R_B_P_WAX_4_AMD_NA_LC-MS_POS_MJ_REP4.raw | R_B_P_WAX_4_AMD_NA_LC-MS_POS_MJ_REP4.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_REPEAT_POS | BLANK | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMS_POSITIVE |
11730 | R_B_P_WAX_4_AMD_NA_LC-MS_POS_MJ_REP4.mzML | R_B_P_WAX_4_AMD_NA_LC-MS_POS_MJ_REP4.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_REPEAT_POS | BLANK | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMS_POSITIVE |
11731 | R_B_P_WAX_4_AMD_NA_LC-MS_POS_MJ_REP5.raw | R_B_P_WAX_4_AMD_NA_LC-MS_POS_MJ_REP5.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_REPEAT_POS | BLANK | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMS_POSITIVE |
11732 | R_B_P_WAX_4_AMD_NA_LC-MS_POS_MJ_REP5.mzML | R_B_P_WAX_4_AMD_NA_LC-MS_POS_MJ_REP5.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_REPEAT_POS | BLANK | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMS_POSITIVE |
11733 | R_A_P_WAX_4_AMD_NA_LC-MSMS_POS_MJ_REP1_INCL1.raw | R_A_P_WAX_4_AMD_NA_LC-MSMS_POS_MJ_REP1_INCL1.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_REPEAT_POS | DAPH | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMSMS_POSITIVE |
11734 | R_A_P_WAX_4_AMD_NA_LC-MSMS_POS_MJ_REP1_INCL1.mzML | R_A_P_WAX_4_AMD_NA_LC-MSMS_POS_MJ_REP1_INCL1.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_REPEAT_POS | DAPH | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMSMS_POSITIVE |
11735 | R_A_P_WAX_4_AMD_NA_LC-MSMS_POS_MJ_REP1_INCL2.raw | R_A_P_WAX_4_AMD_NA_LC-MSMS_POS_MJ_REP1_INCL2.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_REPEAT_POS | DAPH | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMSMS_POSITIVE |
11736 | R_A_P_WAX_4_AMD_NA_LC-MSMS_POS_MJ_REP1_INCL2.mzML | R_A_P_WAX_4_AMD_NA_LC-MSMS_POS_MJ_REP1_INCL2.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_REPEAT_POS | DAPH | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMSMS_POSITIVE |
11737 | R_A_P_WAX_4_AMD_NA_LC-MSMS_POS_MJ_REP2_INCL1.raw | R_A_P_WAX_4_AMD_NA_LC-MSMS_POS_MJ_REP2_INCL1.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_REPEAT_POS | DAPH | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMSMS_POSITIVE |
11738 | R_A_P_WAX_4_AMD_NA_LC-MSMS_POS_MJ_REP2_INCL1.mzML | R_A_P_WAX_4_AMD_NA_LC-MSMS_POS_MJ_REP2_INCL1.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_REPEAT_POS | DAPH | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMSMS_POSITIVE |
11739 | R_A_P_WAX_4_AMD_NA_LC-MSMS_POS_MJ_REP2_INCL2.raw | R_A_P_WAX_4_AMD_NA_LC-MSMS_POS_MJ_REP2_INCL2.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_REPEAT_POS | DAPH | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMSMS_POSITIVE |
11740 | R_A_P_WAX_4_AMD_NA_LC-MSMS_POS_MJ_REP2_INCL2.mzML | R_A_P_WAX_4_AMD_NA_LC-MSMS_POS_MJ_REP2_INCL2.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_REPEAT_POS | DAPH | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMSMS_POSITIVE |
11741 | MSM_WAX4_neg_inj1.raw | MSM_WAX4_neg_inj1.raw | DMA of D. magna (2022) | POL_WAX_4_PHE_MSM_NEG | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | 0 | D-LCMS | NEGATIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-PHE_0_D-LCMS_NEGATIVE |
11742 | MSM_WAX4_neg_inj1.mzML | MSM_WAX4_neg_inj1.mzML | DMA of D. magna (2022) | POL_WAX_4_PHE_MSM_NEG | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | 0 | D-LCMS | NEGATIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-PHE_0_D-LCMS_NEGATIVE |
11743 | MSM_WAX4_neg_inj2.raw | MSM_WAX4_neg_inj2.raw | DMA of D. magna (2022) | POL_WAX_4_PHE_MSM_NEG | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | 0 | D-LCMS | NEGATIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-PHE_0_D-LCMS_NEGATIVE |
11744 | MSM_WAX4_neg_inj2.mzML | MSM_WAX4_neg_inj2.mzML | DMA of D. magna (2022) | POL_WAX_4_PHE_MSM_NEG | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | 0 | D-LCMS | NEGATIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-PHE_0_D-LCMS_NEGATIVE |
11745 | MSM_WAX4_neg_inj3.raw | MSM_WAX4_neg_inj3.raw | DMA of D. magna (2022) | POL_WAX_4_PHE_MSM_NEG | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | 0 | D-LCMS | NEGATIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-PHE_0_D-LCMS_NEGATIVE |
11746 | MSM_WAX4_neg_inj3.mzML | MSM_WAX4_neg_inj3.mzML | DMA of D. magna (2022) | POL_WAX_4_PHE_MSM_NEG | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-PHE | 0 | D-LCMS | NEGATIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-PHE_0_D-LCMS_NEGATIVE |
11747 | MSM_WAX4_pos_inj1.raw | MSM_WAX4_pos_inj1.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 |
11748 | MSM_WAX4_pos_inj1.mzML | MSM_WAX4_pos_inj1.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 |
11749 | MSM_WAX4_pos_inj2.raw | MSM_WAX4_pos_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-LCMS | POSITIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-PHE_0_D-LCMS_POSITIVE |
11750 | MSM_WAX4_pos_inj2.mzML | MSM_WAX4_pos_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-LCMS | POSITIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-PHE_0_D-LCMS_POSITIVE |