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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5476 | D03_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun_CIDonly.raw | D03_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 | D03 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_D03_D-DIMSn_POSITIVE |
5477 | D03_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun_CIDonly.mzML | D03_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 | D03 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_D03_D-DIMSn_POSITIVE |
5478 | D04_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.raw | D04_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 | D04 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_D04_D-DIMSn_POSITIVE |
5479 | D04_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.mzML | D04_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 | D04 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_D04_D-DIMSn_POSITIVE |
5480 | D04_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun_CIDonly.raw | D04_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 | D04 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_D04_D-DIMSn_POSITIVE |
5481 | D04_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun_CIDonly.mzML | D04_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 | D04 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_D04_D-DIMSn_POSITIVE |
5482 | D05_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.raw | D05_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 | D05 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_D05_D-DIMSn_POSITIVE |
5483 | D05_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.mzML | D05_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 | D05 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_D05_D-DIMSn_POSITIVE |
5484 | D05_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun_CIDonly.raw | D05_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 | D05 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_D05_D-DIMSn_POSITIVE |
5485 | D05_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun_CIDonly.mzML | D05_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 | D05 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_D05_D-DIMSn_POSITIVE |
5486 | D06_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.raw | D06_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 | D06 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_D06_D-DIMSn_POSITIVE |
5487 | D06_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.mzML | D06_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 | D06 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_D06_D-DIMSn_POSITIVE |
5488 | D06_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun.raw | D06_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 | D06 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_D06_D-DIMSn_POSITIVE |
5489 | D06_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun.mzML | D06_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 | D06 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_D06_D-DIMSn_POSITIVE |
5490 | D06_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun2.raw | D06_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 | D06 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_D06_D-DIMSn_POSITIVE |
5491 | D06_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun2.mzML | D06_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 | D06 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_D06_D-DIMSn_POSITIVE |
5492 | D06_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun3.raw | D06_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 | D06 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_D06_D-DIMSn_POSITIVE |
5493 | D06_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun3.mzML | D06_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 | D06 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_D06_D-DIMSn_POSITIVE |
5494 | D07_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.raw | D07_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 | D07 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_D07_D-DIMSn_POSITIVE |
5495 | D07_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.mzML | D07_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 | D07 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_D07_D-DIMSn_POSITIVE |
5496 | D08_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.raw | D08_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 | D08 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_D08_D-DIMSn_POSITIVE |
5497 | D08_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.mzML | D08_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 | D08 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_D08_D-DIMSn_POSITIVE |
5498 | D08_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun_CIDonly.raw | D08_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 | D08 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_D08_D-DIMSn_POSITIVE |
5499 | D08_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn_rerun_CIDonly.mzML | D08_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 | D08 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_D08_D-DIMSn_POSITIVE |
5500 | D09_Apolar_Daph_CRUDE_NA_C30_LCMS_Pos_DIMSn.raw | D09_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 | D09 | D-DIMSn | POSITIVE | DAPH_D-CULT_D-APOL_NA_1_D-C30_D09_D-DIMSn_POSITIVE |