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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
11551 | C_P_WAX_4_AMD_NA_LCMS_NEG_3.raw | C_P_WAX_4_AMD_NA_LCMS_NEG_3.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_MSM_NEG | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMS | NEGATIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMS_NEGATIVE |
11552 | C_P_WAX_4_AMD_NA_LCMS_NEG_3.mzML | C_P_WAX_4_AMD_NA_LCMS_NEG_3.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_MSM_NEG | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMS | NEGATIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMS_NEGATIVE |
11553 | C_P_WAX_4_AMD_NA_LCMSMS_NEG_REP1_INCL12.raw | C_P_WAX_4_AMD_NA_LCMSMS_NEG_REP1_INCL12.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_MSM_NEG | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMSMS | NEGATIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMSMS_NEGATIVE |
11554 | C_P_WAX_4_AMD_NA_LCMSMS_NEG_REP1_INCL12.mzML | C_P_WAX_4_AMD_NA_LCMSMS_NEG_REP1_INCL12.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_MSM_NEG | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMSMS | NEGATIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMSMS_NEGATIVE |
11555 | C_P_WAX_4_AMD_NA_LCMSMS_NEG_REP2_INCL12.raw | C_P_WAX_4_AMD_NA_LCMSMS_NEG_REP2_INCL12.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_MSM_NEG | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMSMS | NEGATIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMSMS_NEGATIVE |
11556 | C_P_WAX_4_AMD_NA_LCMSMS_NEG_REP2_INCL12.mzML | C_P_WAX_4_AMD_NA_LCMSMS_NEG_REP2_INCL12.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_MSM_NEG | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMSMS | NEGATIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMSMS_NEGATIVE |
11557 | C_P_WAX_4_AMD_NA_LCMS_POS_1.raw | C_P_WAX_4_AMD_NA_LCMS_POS_1.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_MSM_POS | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMS | POSITIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMS_POSITIVE |
11558 | C_P_WAX_4_AMD_NA_LCMS_POS_1.mzML | C_P_WAX_4_AMD_NA_LCMS_POS_1.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_MSM_POS | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMS | POSITIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMS_POSITIVE |
11559 | C_P_WAX_4_AMD_NA_LCMS_POS_2.raw | C_P_WAX_4_AMD_NA_LCMS_POS_2.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_MSM_POS | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMS | POSITIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMS_POSITIVE |
11560 | C_P_WAX_4_AMD_NA_LCMS_POS_2.mzML | C_P_WAX_4_AMD_NA_LCMS_POS_2.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_MSM_POS | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMS | POSITIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMS_POSITIVE |
11561 | C_P_WAX_4_AMD_NA_LCMS_POS_3.raw | C_P_WAX_4_AMD_NA_LCMS_POS_3.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_MSM_POS | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMS | POSITIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMS_POSITIVE |
11562 | C_P_WAX_4_AMD_NA_LCMS_POS_3.mzML | C_P_WAX_4_AMD_NA_LCMS_POS_3.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_MSM_POS | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMS | POSITIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMS_POSITIVE |
11563 | C_P_WAX_4_AMD_NA_LCMSMS_POS_REP1_INCL12.raw | C_P_WAX_4_AMD_NA_LCMSMS_POS_REP1_INCL12.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_MSM_POS | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMSMS | POSITIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMSMS_POSITIVE |
11564 | C_P_WAX_4_AMD_NA_LCMSMS_POS_REP1_INCL12.mzML | C_P_WAX_4_AMD_NA_LCMSMS_POS_REP1_INCL12.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_MSM_POS | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMSMS | POSITIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMSMS_POSITIVE |
11565 | C_P_WAX_4_AMD_NA_LCMSMS_POS_REP2_INCL12.raw | C_P_WAX_4_AMD_NA_LCMSMS_POS_REP2_INCL12.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_MSM_POS | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMSMS | POSITIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMSMS_POSITIVE |
11566 | C_P_WAX_4_AMD_NA_LCMSMS_POS_REP2_INCL12.mzML | C_P_WAX_4_AMD_NA_LCMSMS_POS_REP2_INCL12.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_MSM_POS | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMSMS | POSITIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMSMS_POSITIVE |
11567 | 11_PolarExtract_Blank_QA_sample_neg_1_180122054949.raw | 11_PolarExtract_Blank_QA_sample_neg_1_180122054949.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_NEG | EQUIL_BLANK | 1 | D-CULT | NA | NA | 0 | D-AMD | 0 | D-LCMS | NEGATIVE | EQUIL_BLANK_D-CULT_NA_NA_0_D-AMD_0_D-LCMS_NEGATIVE |
11568 | 11_PolarExtract_Blank_QA_sample_neg_1_180122054949.mzML | 11_PolarExtract_Blank_QA_sample_neg_1_180122054949.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_NEG | EQUIL_BLANK | 1 | D-CULT | NA | NA | 0 | D-AMD | 0 | D-LCMS | NEGATIVE | EQUIL_BLANK_D-CULT_NA_NA_0_D-AMD_0_D-LCMS_NEGATIVE |
11569 | 11_PolarExtract_Daphnia_QA_sample_neg_1_180122044542.raw | 11_PolarExtract_Daphnia_QA_sample_neg_1_180122044542.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_NEG | EQUIL | 1 | D-CULT | NA | NA | 0 | D-AMD | 0 | D-LCMS | NEGATIVE | EQUIL_D-CULT_NA_NA_0_D-AMD_0_D-LCMS_NEGATIVE |
11570 | 11_PolarExtract_Daphnia_QA_sample_neg_1_180122044542.mzML | 11_PolarExtract_Daphnia_QA_sample_neg_1_180122044542.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_NEG | EQUIL | 1 | D-CULT | NA | NA | 0 | D-AMD | 0 | D-LCMS | NEGATIVE | EQUIL_D-CULT_NA_NA_0_D-AMD_0_D-LCMS_NEGATIVE |
11571 | A_P_WAX_4_AMD_NA_LC-MS_NEG_MJ_REP1.raw | A_P_WAX_4_AMD_NA_LC-MS_NEG_MJ_REP1.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_NEG | DAPH | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMS_NEGATIVE |
11572 | A_P_WAX_4_AMD_NA_LC-MS_NEG_MJ_REP1.mzML | A_P_WAX_4_AMD_NA_LC-MS_NEG_MJ_REP1.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_NEG | DAPH | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMS_NEGATIVE |
11573 | A_P_WAX_4_AMD_NA_LC-MS_NEG_MJ_REP2.raw | A_P_WAX_4_AMD_NA_LC-MS_NEG_MJ_REP2.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_NEG | DAPH | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMS_NEGATIVE |
11574 | A_P_WAX_4_AMD_NA_LC-MS_NEG_MJ_REP2.mzML | A_P_WAX_4_AMD_NA_LC-MS_NEG_MJ_REP2.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_NEG | DAPH | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMS_NEGATIVE |
11575 | A_P_WAX_4_AMD_NA_LC-MS_NEG_MJ_REP3.raw | A_P_WAX_4_AMD_NA_LC-MS_NEG_MJ_REP3.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_NEG | DAPH | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMS | NEGATIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMS_NEGATIVE |