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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
12976 | A_P_WCX_1_AMD_NA_LC-MS_POS_MJ_REP4.raw | A_P_WCX_1_AMD_NA_LC-MS_POS_MJ_REP4.raw | DMA of D. magna (2022) | POL_WCX_1_AMD_POS | DAPH | 1 | D-CULT | D-POL | D-WCX | 1 | D-AMD | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-AMD_0_D-LCMS_POSITIVE |
12977 | A_P_WCX_1_AMD_NA_LC-MS_POS_MJ_REP4.mzML | A_P_WCX_1_AMD_NA_LC-MS_POS_MJ_REP4.mzML | DMA of D. magna (2022) | POL_WCX_1_AMD_POS | DAPH | 1 | D-CULT | D-POL | D-WCX | 1 | D-AMD | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-AMD_0_D-LCMS_POSITIVE |
12978 | A_P_WCX_1_AMD_NA_LC-MS_POS_MJ_REP5.raw | A_P_WCX_1_AMD_NA_LC-MS_POS_MJ_REP5.raw | DMA of D. magna (2022) | POL_WCX_1_AMD_POS | DAPH | 1 | D-CULT | D-POL | D-WCX | 1 | D-AMD | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-AMD_0_D-LCMS_POSITIVE |
12979 | A_P_WCX_1_AMD_NA_LC-MS_POS_MJ_REP5.mzML | A_P_WCX_1_AMD_NA_LC-MS_POS_MJ_REP5.mzML | DMA of D. magna (2022) | POL_WCX_1_AMD_POS | DAPH | 1 | D-CULT | D-POL | D-WCX | 1 | D-AMD | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-AMD_0_D-LCMS_POSITIVE |
12980 | B_P_WCX_1_AMD_NA_LC-MS_POS_MJ_REP1.raw | B_P_WCX_1_AMD_NA_LC-MS_POS_MJ_REP1.raw | DMA of D. magna (2022) | POL_WCX_1_AMD_POS | BLANK | 1 | D-CULT | D-POL | D-WCX | 1 | D-AMD | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-AMD_0_D-LCMS_POSITIVE |
12981 | B_P_WCX_1_AMD_NA_LC-MS_POS_MJ_REP1.mzML | B_P_WCX_1_AMD_NA_LC-MS_POS_MJ_REP1.mzML | DMA of D. magna (2022) | POL_WCX_1_AMD_POS | BLANK | 1 | D-CULT | D-POL | D-WCX | 1 | D-AMD | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-AMD_0_D-LCMS_POSITIVE |
12982 | B_P_WCX_1_AMD_NA_LC-MS_POS_MJ_REP2.raw | B_P_WCX_1_AMD_NA_LC-MS_POS_MJ_REP2.raw | DMA of D. magna (2022) | POL_WCX_1_AMD_POS | BLANK | 1 | D-CULT | D-POL | D-WCX | 1 | D-AMD | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-AMD_0_D-LCMS_POSITIVE |
12983 | B_P_WCX_1_AMD_NA_LC-MS_POS_MJ_REP2.mzML | B_P_WCX_1_AMD_NA_LC-MS_POS_MJ_REP2.mzML | DMA of D. magna (2022) | POL_WCX_1_AMD_POS | BLANK | 1 | D-CULT | D-POL | D-WCX | 1 | D-AMD | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-AMD_0_D-LCMS_POSITIVE |
12984 | B_P_WCX_1_AMD_NA_LC-MS_POS_MJ_REP3.raw | B_P_WCX_1_AMD_NA_LC-MS_POS_MJ_REP3.raw | DMA of D. magna (2022) | POL_WCX_1_AMD_POS | BLANK | 1 | D-CULT | D-POL | D-WCX | 1 | D-AMD | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-AMD_0_D-LCMS_POSITIVE |
12985 | B_P_WCX_1_AMD_NA_LC-MS_POS_MJ_REP3.mzML | B_P_WCX_1_AMD_NA_LC-MS_POS_MJ_REP3.mzML | DMA of D. magna (2022) | POL_WCX_1_AMD_POS | BLANK | 1 | D-CULT | D-POL | D-WCX | 1 | D-AMD | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-AMD_0_D-LCMS_POSITIVE |
12986 | B_P_WCX_1_AMD_NA_LC-MS_POS_MJ_REP4.raw | B_P_WCX_1_AMD_NA_LC-MS_POS_MJ_REP4.raw | DMA of D. magna (2022) | POL_WCX_1_AMD_POS | BLANK | 1 | D-CULT | D-POL | D-WCX | 1 | D-AMD | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-AMD_0_D-LCMS_POSITIVE |
12987 | B_P_WCX_1_AMD_NA_LC-MS_POS_MJ_REP4.mzML | B_P_WCX_1_AMD_NA_LC-MS_POS_MJ_REP4.mzML | DMA of D. magna (2022) | POL_WCX_1_AMD_POS | BLANK | 1 | D-CULT | D-POL | D-WCX | 1 | D-AMD | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-AMD_0_D-LCMS_POSITIVE |
12988 | B_P_WCX_1_AMD_NA_LC-MS_POS_MJ_REP5.raw | B_P_WCX_1_AMD_NA_LC-MS_POS_MJ_REP5.raw | DMA of D. magna (2022) | POL_WCX_1_AMD_POS | BLANK | 1 | D-CULT | D-POL | D-WCX | 1 | D-AMD | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-AMD_0_D-LCMS_POSITIVE |
12989 | B_P_WCX_1_AMD_NA_LC-MS_POS_MJ_REP5.mzML | B_P_WCX_1_AMD_NA_LC-MS_POS_MJ_REP5.mzML | DMA of D. magna (2022) | POL_WCX_1_AMD_POS | BLANK | 1 | D-CULT | D-POL | D-WCX | 1 | D-AMD | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WCX_1_D-AMD_0_D-LCMS_POSITIVE |
12990 | A_P_WCX_1_AMD_NA_LC-MSMS_POS_MJ_REP1_INCL1.raw | A_P_WCX_1_AMD_NA_LC-MSMS_POS_MJ_REP1_INCL1.raw | DMA of D. magna (2022) | POL_WCX_1_AMD_POS | DAPH | 1 | D-CULT | D-POL | D-WCX | 1 | D-AMD | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-AMD_0_D-LCMSMS_POSITIVE |
12991 | A_P_WCX_1_AMD_NA_LC-MSMS_POS_MJ_REP1_INCL1.mzML | A_P_WCX_1_AMD_NA_LC-MSMS_POS_MJ_REP1_INCL1.mzML | DMA of D. magna (2022) | POL_WCX_1_AMD_POS | DAPH | 1 | D-CULT | D-POL | D-WCX | 1 | D-AMD | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-AMD_0_D-LCMSMS_POSITIVE |
12992 | A_P_WCX_1_AMD_NA_LC-MSMS_POS_MJ_REP1_INCL2.raw | A_P_WCX_1_AMD_NA_LC-MSMS_POS_MJ_REP1_INCL2.raw | DMA of D. magna (2022) | POL_WCX_1_AMD_POS | DAPH | 1 | D-CULT | D-POL | D-WCX | 1 | D-AMD | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-AMD_0_D-LCMSMS_POSITIVE |
12993 | A_P_WCX_1_AMD_NA_LC-MSMS_POS_MJ_REP1_INCL2.mzML | A_P_WCX_1_AMD_NA_LC-MSMS_POS_MJ_REP1_INCL2.mzML | DMA of D. magna (2022) | POL_WCX_1_AMD_POS | DAPH | 1 | D-CULT | D-POL | D-WCX | 1 | D-AMD | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-AMD_0_D-LCMSMS_POSITIVE |
12994 | A_P_WCX_1_AMD_NA_LC-MSMS_POS_MJ_REP2_INCL1.raw | A_P_WCX_1_AMD_NA_LC-MSMS_POS_MJ_REP2_INCL1.raw | DMA of D. magna (2022) | POL_WCX_1_AMD_POS | DAPH | 1 | D-CULT | D-POL | D-WCX | 1 | D-AMD | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-AMD_0_D-LCMSMS_POSITIVE |
12995 | A_P_WCX_1_AMD_NA_LC-MSMS_POS_MJ_REP2_INCL1.mzML | A_P_WCX_1_AMD_NA_LC-MSMS_POS_MJ_REP2_INCL1.mzML | DMA of D. magna (2022) | POL_WCX_1_AMD_POS | DAPH | 1 | D-CULT | D-POL | D-WCX | 1 | D-AMD | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-AMD_0_D-LCMSMS_POSITIVE |
12996 | A_P_WCX_1_AMD_NA_LC-MSMS_POS_MJ_REP2_INCL2.raw | A_P_WCX_1_AMD_NA_LC-MSMS_POS_MJ_REP2_INCL2.raw | DMA of D. magna (2022) | POL_WCX_1_AMD_POS | DAPH | 1 | D-CULT | D-POL | D-WCX | 1 | D-AMD | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-AMD_0_D-LCMSMS_POSITIVE |
12997 | A_P_WCX_1_AMD_NA_LC-MSMS_POS_MJ_REP2_INCL2.mzML | A_P_WCX_1_AMD_NA_LC-MSMS_POS_MJ_REP2_INCL2.mzML | DMA of D. magna (2022) | POL_WCX_1_AMD_POS | DAPH | 1 | D-CULT | D-POL | D-WCX | 1 | D-AMD | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-POL_D-WCX_1_D-AMD_0_D-LCMSMS_POSITIVE |
12998 | MSM_WCX1_PHE_neg_inj1.raw | MSM_WCX1_PHE_neg_inj1.raw | DMA of D. magna (2022) | POL_WCX_1_PHE_MSM_NEG | COMPOUND | 1 | D-CULT | D-POL | D-WCX | 1 | D-PHE | 0 | D-LCMS | NEGATIVE | COMPOUND_D-CULT_D-POL_D-WCX_1_D-PHE_0_D-LCMS_NEGATIVE |
12999 | MSM_WCX1_PHE_neg_inj1.mzML | MSM_WCX1_PHE_neg_inj1.mzML | DMA of D. magna (2022) | POL_WCX_1_PHE_MSM_NEG | COMPOUND | 1 | D-CULT | D-POL | D-WCX | 1 | D-PHE | 0 | D-LCMS | NEGATIVE | COMPOUND_D-CULT_D-POL_D-WCX_1_D-PHE_0_D-LCMS_NEGATIVE |
13000 | MSM_WCX1_PHE_neg_inj2.raw | MSM_WCX1_PHE_neg_inj2.raw | DMA of D. magna (2022) | POL_WCX_1_PHE_MSM_NEG | COMPOUND | 1 | D-CULT | D-POL | D-WCX | 1 | D-PHE | 0 | D-LCMS | NEGATIVE | COMPOUND_D-CULT_D-POL_D-WCX_1_D-PHE_0_D-LCMS_NEGATIVE |