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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5426 | C01_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun3.raw | C01_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 | C01 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C01_D-DIMSn_POSITIVE |
5427 | C01_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun3.mzML | C01_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 | C01 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C01_D-DIMSn_POSITIVE |
5428 | C02_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.raw | C02_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 | C02 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C02_D-DIMSn_POSITIVE |
5429 | C02_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.mzML | C02_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 | C02 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C02_D-DIMSn_POSITIVE |
5430 | C02_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun.raw | C02_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 | C02 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C02_D-DIMSn_POSITIVE |
5431 | C02_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun.mzML | C02_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 | C02 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C02_D-DIMSn_POSITIVE |
5432 | C03_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.raw | C03_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 | C03 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C03_D-DIMSn_POSITIVE |
5433 | C03_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.mzML | C03_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 | C03 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C03_D-DIMSn_POSITIVE |
5434 | C04_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.raw | C04_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 | C04 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C04_D-DIMSn_POSITIVE |
5435 | C04_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.mzML | C04_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 | C04 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C04_D-DIMSn_POSITIVE |
5436 | C04_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun.raw | C04_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 | C04 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C04_D-DIMSn_POSITIVE |
5437 | C04_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun.mzML | C04_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 | C04 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C04_D-DIMSn_POSITIVE |
5438 | C05_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.raw | C05_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 | C05 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C05_D-DIMSn_POSITIVE |
5439 | C05_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.mzML | C05_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 | C05 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C05_D-DIMSn_POSITIVE |
5440 | C06_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.raw | C06_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 | C06 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C06_D-DIMSn_POSITIVE |
5441 | C06_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.mzML | C06_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 | C06 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C06_D-DIMSn_POSITIVE |
5442 | C07_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.raw | C07_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 | C07 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C07_D-DIMSn_POSITIVE |
5443 | C07_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.mzML | C07_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 | C07 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C07_D-DIMSn_POSITIVE |
5444 | C07_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun.raw | C07_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 | C07 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C07_D-DIMSn_POSITIVE |
5445 | C07_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun.mzML | C07_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 | C07 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C07_D-DIMSn_POSITIVE |
5446 | C08_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.raw | C08_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 | C08 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C08_D-DIMSn_POSITIVE |
5447 | C08_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.mzML | C08_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 | C08 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C08_D-DIMSn_POSITIVE |
5448 | C09_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.raw | C09_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 | C09 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C09_D-DIMSn_POSITIVE |
5449 | C09_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.mzML | C09_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 | C09 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C09_D-DIMSn_POSITIVE |
5450 | C09_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun_CIDonly.raw | C09_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 | C09 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_C09_D-DIMSn_POSITIVE |