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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5401 | B09_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun.mzML | B09_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun.mzML | DMA of D. magna (2022) | APOL_NA_NA_C30_POS | DAPH | 1 | D-CULT | D-APOL | NA | 1 | D-C30 | B09 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_B09_D-DIMSn_POSITIVE |
5402 | B10_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.raw | B10_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.raw | DMA of D. magna (2022) | APOL_NA_NA_C30_POS | DAPH | 1 | D-CULT | D-APOL | NA | 1 | D-C30 | B10 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_B10_D-DIMSn_POSITIVE |
5403 | B10_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.mzML | B10_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.mzML | DMA of D. magna (2022) | APOL_NA_NA_C30_POS | DAPH | 1 | D-CULT | D-APOL | NA | 1 | D-C30 | B10 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_B10_D-DIMSn_POSITIVE |
5404 | B10_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun.raw | B10_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun.raw | DMA of D. magna (2022) | APOL_NA_NA_C30_POS | DAPH | 1 | D-CULT | D-APOL | NA | 1 | D-C30 | B10 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_B10_D-DIMSn_POSITIVE |
5405 | B10_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun.mzML | B10_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun.mzML | DMA of D. magna (2022) | APOL_NA_NA_C30_POS | DAPH | 1 | D-CULT | D-APOL | NA | 1 | D-C30 | B10 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_B10_D-DIMSn_POSITIVE |
5406 | B10_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun2.raw | B10_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun2.raw | DMA of D. magna (2022) | APOL_NA_NA_C30_POS | DAPH | 1 | D-CULT | D-APOL | NA | 1 | D-C30 | B10 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_B10_D-DIMSn_POSITIVE |
5407 | B10_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun2.mzML | B10_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun2.mzML | DMA of D. magna (2022) | APOL_NA_NA_C30_POS | DAPH | 1 | D-CULT | D-APOL | NA | 1 | D-C30 | B10 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_B10_D-DIMSn_POSITIVE |
5408 | B10_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun3.raw | B10_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun3.raw | DMA of D. magna (2022) | APOL_NA_NA_C30_POS | DAPH | 1 | D-CULT | D-APOL | NA | 1 | D-C30 | B10 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_B10_D-DIMSn_POSITIVE |
5409 | B10_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun3.mzML | B10_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun3.mzML | DMA of D. magna (2022) | APOL_NA_NA_C30_POS | DAPH | 1 | D-CULT | D-APOL | NA | 1 | D-C30 | B10 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_B10_D-DIMSn_POSITIVE |
5410 | B11_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.raw | B11_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.raw | DMA of D. magna (2022) | APOL_NA_NA_C30_POS | DAPH | 1 | D-CULT | D-APOL | NA | 1 | D-C30 | B11 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_B11_D-DIMSn_POSITIVE |
5411 | B11_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.mzML | B11_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.mzML | DMA of D. magna (2022) | APOL_NA_NA_C30_POS | DAPH | 1 | D-CULT | D-APOL | NA | 1 | D-C30 | B11 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_B11_D-DIMSn_POSITIVE |
5412 | B11_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun_CIDonly.raw | B11_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun_CIDonly.raw | DMA of D. magna (2022) | APOL_NA_NA_C30_POS | DAPH | 1 | D-CULT | D-APOL | NA | 1 | D-C30 | B11 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_B11_D-DIMSn_POSITIVE |
5413 | B11_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun_CIDonly.mzML | B11_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun_CIDonly.mzML | DMA of D. magna (2022) | APOL_NA_NA_C30_POS | DAPH | 1 | D-CULT | D-APOL | NA | 1 | D-C30 | B11 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_B11_D-DIMSn_POSITIVE |
5414 | B11_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun2_CIDonly.raw | B11_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun2_CIDonly.raw | DMA of D. magna (2022) | APOL_NA_NA_C30_POS | DAPH | 1 | D-CULT | D-APOL | NA | 1 | D-C30 | B11 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_B11_D-DIMSn_POSITIVE |
5415 | B11_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun2_CIDonly.mzML | B11_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun2_CIDonly.mzML | DMA of D. magna (2022) | APOL_NA_NA_C30_POS | DAPH | 1 | D-CULT | D-APOL | NA | 1 | D-C30 | B11 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_B11_D-DIMSn_POSITIVE |
5416 | B12_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.raw | B12_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.raw | DMA of D. magna (2022) | APOL_NA_NA_C30_POS | DAPH | 1 | D-CULT | D-APOL | NA | 1 | D-C30 | B12 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_B12_D-DIMSn_POSITIVE |
5417 | B12_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.mzML | B12_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.mzML | DMA of D. magna (2022) | APOL_NA_NA_C30_POS | DAPH | 1 | D-CULT | D-APOL | NA | 1 | D-C30 | B12 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_B12_D-DIMSn_POSITIVE |
5418 | B12_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun.raw | B12_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun.raw | DMA of D. magna (2022) | APOL_NA_NA_C30_POS | DAPH | 1 | D-CULT | D-APOL | NA | 1 | D-C30 | B12 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_B12_D-DIMSn_POSITIVE |
5419 | B12_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun.mzML | B12_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun.mzML | DMA of D. magna (2022) | APOL_NA_NA_C30_POS | DAPH | 1 | D-CULT | D-APOL | NA | 1 | D-C30 | B12 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_B12_D-DIMSn_POSITIVE |
5420 | C01_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.raw | C01_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.raw | DMA of D. magna (2022) | APOL_NA_NA_C30_POS | DAPH | 1 | D-CULT | D-APOL | NA | 1 | D-C30 | C01 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C01_D-DIMSn_POSITIVE |
5421 | C01_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.mzML | C01_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.mzML | DMA of D. magna (2022) | APOL_NA_NA_C30_POS | DAPH | 1 | D-CULT | D-APOL | NA | 1 | D-C30 | C01 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C01_D-DIMSn_POSITIVE |
5422 | C01_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun.raw | C01_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun.raw | DMA of D. magna (2022) | APOL_NA_NA_C30_POS | DAPH | 1 | D-CULT | D-APOL | NA | 1 | D-C30 | C01 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C01_D-DIMSn_POSITIVE |
5423 | C01_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun.mzML | C01_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun.mzML | DMA of D. magna (2022) | APOL_NA_NA_C30_POS | DAPH | 1 | D-CULT | D-APOL | NA | 1 | D-C30 | C01 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C01_D-DIMSn_POSITIVE |
5424 | C01_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun2.raw | C01_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun2.raw | DMA of D. magna (2022) | APOL_NA_NA_C30_POS | DAPH | 1 | D-CULT | D-APOL | NA | 1 | D-C30 | C01 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C01_D-DIMSn_POSITIVE |
5425 | C01_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun2.mzML | C01_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun2.mzML | DMA of D. magna (2022) | APOL_NA_NA_C30_POS | DAPH | 1 | D-CULT | D-APOL | NA | 1 | D-C30 | C01 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C01_D-DIMSn_POSITIVE |