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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5351 | A08_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.mzML | A08_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 | A08 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_A08_D-DIMSn_POSITIVE |
5352 | A09_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.raw | A09_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 | A09 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_A09_D-DIMSn_POSITIVE |
5353 | A09_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.mzML | A09_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 | A09 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_A09_D-DIMSn_POSITIVE |
5354 | A09_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun_CIDonly.raw | A09_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 | A09 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_A09_D-DIMSn_POSITIVE |
5355 | A09_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun_CIDonly.mzML | A09_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 | A09 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_A09_D-DIMSn_POSITIVE |
5356 | A10_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.raw | A10_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 | A10 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_A10_D-DIMSn_POSITIVE |
5357 | A10_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.mzML | A10_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 | A10 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_A10_D-DIMSn_POSITIVE |
5358 | A10_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun_CIDonly.raw | A10_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 | A10 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_A10_D-DIMSn_POSITIVE |
5359 | A10_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun_CIDonly.mzML | A10_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 | A10 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_A10_D-DIMSn_POSITIVE |
5360 | A11_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMS_rerun_CIDonly.raw | A11_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMS_rerun_CIDonly.raw | DMA of D. magna (2022) | APOL_NA_NA_C30_POS | DAPH | 1 | D-CULT | D-APOL | NA | 1 | D-C30 | A11 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_A11_D-DIMSn_POSITIVE |
5361 | A11_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMS_rerun_CIDonly.mzML | A11_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMS_rerun_CIDonly.mzML | DMA of D. magna (2022) | APOL_NA_NA_C30_POS | DAPH | 1 | D-CULT | D-APOL | NA | 1 | D-C30 | A11 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_A11_D-DIMSn_POSITIVE |
5362 | A11_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.raw | A11_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 | A11 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_A11_D-DIMSn_POSITIVE |
5363 | A11_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.mzML | A11_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 | A11 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_A11_D-DIMSn_POSITIVE |
5364 | A12_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.raw | A12_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 | A12 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_A12_D-DIMSn_POSITIVE |
5365 | A12_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.mzML | A12_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 | A12 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_A12_D-DIMSn_POSITIVE |
5366 | A12_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun.raw | A12_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 | A12 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_A12_D-DIMSn_POSITIVE |
5367 | A12_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun.mzML | A12_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 | A12 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_A12_D-DIMSn_POSITIVE |
5368 | B01_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.raw | B01_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 | B01 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_B01_D-DIMSn_POSITIVE |
5369 | B01_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.mzML | B01_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 | B01 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_B01_D-DIMSn_POSITIVE |
5370 | B01_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun.raw | B01_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 | B01 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_B01_D-DIMSn_POSITIVE |
5371 | B01_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun.mzML | B01_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 | B01 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_B01_D-DIMSn_POSITIVE |
5372 | B01_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun2.raw | B01_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 | B01 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_B01_D-DIMSn_POSITIVE |
5373 | B01_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun2.mzML | B01_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 | B01 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_B01_D-DIMSn_POSITIVE |
5374 | B02_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.raw | B02_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 | B02 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_B02_D-DIMSn_POSITIVE |
5375 | B02_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.mzML | B02_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 | B02 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_B02_D-DIMSn_POSITIVE |