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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
17468 | 27_SolventBlank_pos_prerun.mzML | 27_SolventBlank_pos_prerun.mzML | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | EQUIL_BLANK | 1 | NA | NA | NA | 0 | D-PHE | 0 | D-LCMS | POSITIVE | EQUIL_BLANK_NA_NA_NA_0_D-PHE_0_D-LCMS_POSITIVE |
17477 | Blank_P_WCX_4_LCMS-FC_Phenyl_pos_inj1.raw | Blank_P_WCX_4_LCMS-FC_Phenyl_pos_inj1.raw | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | BLANK | 1 | D-CULT | D-POL | D-WCX | 4 | D-PHE | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WCX_4_D-PHE_0_D-LCMS_POSITIVE |
17478 | Blank_P_WCX_4_LCMS-FC_Phenyl_pos_inj1.mzML | Blank_P_WCX_4_LCMS-FC_Phenyl_pos_inj1.mzML | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | BLANK | 1 | D-CULT | D-POL | D-WCX | 4 | D-PHE | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WCX_4_D-PHE_0_D-LCMS_POSITIVE |
17479 | Blank_P_WCX_4_LCMS-FC_Phenyl_pos_inj2.raw | Blank_P_WCX_4_LCMS-FC_Phenyl_pos_inj2.raw | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | BLANK | 1 | D-CULT | D-POL | D-WCX | 4 | D-PHE | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WCX_4_D-PHE_0_D-LCMS_POSITIVE |
17480 | Blank_P_WCX_4_LCMS-FC_Phenyl_pos_inj2.mzML | Blank_P_WCX_4_LCMS-FC_Phenyl_pos_inj2.mzML | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | BLANK | 1 | D-CULT | D-POL | D-WCX | 4 | D-PHE | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WCX_4_D-PHE_0_D-LCMS_POSITIVE |
17481 | Blank_P_WCX_4_LCMS-FC_Phenyl_pos_inj3.raw | Blank_P_WCX_4_LCMS-FC_Phenyl_pos_inj3.raw | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | BLANK | 1 | D-CULT | D-POL | D-WCX | 4 | D-PHE | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WCX_4_D-PHE_0_D-LCMS_POSITIVE |
17482 | Blank_P_WCX_4_LCMS-FC_Phenyl_pos_inj3.mzML | Blank_P_WCX_4_LCMS-FC_Phenyl_pos_inj3.mzML | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | BLANK | 1 | D-CULT | D-POL | D-WCX | 4 | D-PHE | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WCX_4_D-PHE_0_D-LCMS_POSITIVE |
17483 | Blank_P_WCX_4_LCMS-FC_Phenyl_pos_inj4.raw | Blank_P_WCX_4_LCMS-FC_Phenyl_pos_inj4.raw | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | BLANK | 1 | D-CULT | D-POL | D-WCX | 4 | D-PHE | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WCX_4_D-PHE_0_D-LCMS_POSITIVE |
17484 | Blank_P_WCX_4_LCMS-FC_Phenyl_pos_inj4.mzML | Blank_P_WCX_4_LCMS-FC_Phenyl_pos_inj4.mzML | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | BLANK | 1 | D-CULT | D-POL | D-WCX | 4 | D-PHE | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WCX_4_D-PHE_0_D-LCMS_POSITIVE |
17485 | Blank_P_WCX_4_LCMS-FC_Phenyl_pos_inj5.raw | Blank_P_WCX_4_LCMS-FC_Phenyl_pos_inj5.raw | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | BLANK | 1 | D-CULT | D-POL | D-WCX | 4 | D-PHE | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WCX_4_D-PHE_0_D-LCMS_POSITIVE |
17486 | Blank_P_WCX_4_LCMS-FC_Phenyl_pos_inj5.mzML | Blank_P_WCX_4_LCMS-FC_Phenyl_pos_inj5.mzML | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | BLANK | 1 | D-CULT | D-POL | D-WCX | 4 | D-PHE | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WCX_4_D-PHE_0_D-LCMS_POSITIVE |
17487 | Daph_P_WCX_4_LCMS-FC_Phenyl_pos_inj1.raw | Daph_P_WCX_4_LCMS-FC_Phenyl_pos_inj1.raw | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | DAPH | 1 | D-CULT | D-POL | D-WCX | 4 | D-PHE | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-POL_D-WCX_4_D-PHE_0_D-LCMS_POSITIVE |
17488 | Daph_P_WCX_4_LCMS-FC_Phenyl_pos_inj1.mzML | Daph_P_WCX_4_LCMS-FC_Phenyl_pos_inj1.mzML | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | DAPH | 1 | D-CULT | D-POL | D-WCX | 4 | D-PHE | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-POL_D-WCX_4_D-PHE_0_D-LCMS_POSITIVE |
17489 | Daph_P_WCX_4_LCMS-FC_Phenyl_pos_inj2.raw | Daph_P_WCX_4_LCMS-FC_Phenyl_pos_inj2.raw | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | DAPH | 1 | D-CULT | D-POL | D-WCX | 4 | D-PHE | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-POL_D-WCX_4_D-PHE_0_D-LCMS_POSITIVE |
17490 | Daph_P_WCX_4_LCMS-FC_Phenyl_pos_inj2.mzML | Daph_P_WCX_4_LCMS-FC_Phenyl_pos_inj2.mzML | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | DAPH | 1 | D-CULT | D-POL | D-WCX | 4 | D-PHE | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-POL_D-WCX_4_D-PHE_0_D-LCMS_POSITIVE |
17491 | Daph_P_WCX_4_LCMS-FC_Phenyl_pos_inj3.raw | Daph_P_WCX_4_LCMS-FC_Phenyl_pos_inj3.raw | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | DAPH | 1 | D-CULT | D-POL | D-WCX | 4 | D-PHE | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-POL_D-WCX_4_D-PHE_0_D-LCMS_POSITIVE |
17492 | Daph_P_WCX_4_LCMS-FC_Phenyl_pos_inj3.mzML | Daph_P_WCX_4_LCMS-FC_Phenyl_pos_inj3.mzML | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | DAPH | 1 | D-CULT | D-POL | D-WCX | 4 | D-PHE | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-POL_D-WCX_4_D-PHE_0_D-LCMS_POSITIVE |
17493 | Daph_P_WCX_4_LCMS-FC_Phenyl_pos_inj4.raw | Daph_P_WCX_4_LCMS-FC_Phenyl_pos_inj4.raw | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | DAPH | 1 | D-CULT | D-POL | D-WCX | 4 | D-PHE | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-POL_D-WCX_4_D-PHE_0_D-LCMS_POSITIVE |
17494 | Daph_P_WCX_4_LCMS-FC_Phenyl_pos_inj4.mzML | Daph_P_WCX_4_LCMS-FC_Phenyl_pos_inj4.mzML | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | DAPH | 1 | D-CULT | D-POL | D-WCX | 4 | D-PHE | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-POL_D-WCX_4_D-PHE_0_D-LCMS_POSITIVE |
17495 | Daph_P_WCX_4_LCMS-FC_Phenyl_pos_inj5.raw | Daph_P_WCX_4_LCMS-FC_Phenyl_pos_inj5.raw | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | DAPH | 1 | D-CULT | D-POL | D-WCX | 4 | D-PHE | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-POL_D-WCX_4_D-PHE_0_D-LCMS_POSITIVE |
17496 | Daph_P_WCX_4_LCMS-FC_Phenyl_pos_inj5.mzML | Daph_P_WCX_4_LCMS-FC_Phenyl_pos_inj5.mzML | DMA of D. magna (2022) | POL_WCX_4_PHE_POS | DAPH | 1 | D-CULT | D-POL | D-WCX | 4 | D-PHE | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-POL_D-WCX_4_D-PHE_0_D-LCMS_POSITIVE |
17497 | 36_PolarDaphniaExtract_QA_neg_1.raw | 36_PolarDaphniaExtract_QA_neg_1.raw | DMA of D. magna (2022) | POL_WCX_NA_AMD_MSM_BLANK_OTHER_NEG | EQUIL | 1 | NA | NA | NA | 0 | D-AMD | 0 | D-LCMS | NEGATIVE | EQUIL_NA_NA_NA_0_D-AMD_0_D-LCMS_NEGATIVE |
17498 | 36_PolarDaphniaExtract_QA_neg_1.mzML | 36_PolarDaphniaExtract_QA_neg_1.mzML | DMA of D. magna (2022) | POL_WCX_NA_AMD_MSM_BLANK_OTHER_NEG | EQUIL | 1 | NA | NA | NA | 0 | D-AMD | 0 | D-LCMS | NEGATIVE | EQUIL_NA_NA_NA_0_D-AMD_0_D-LCMS_NEGATIVE |
17499 | 36_PolarDaphniaExtract_QA_pos_1.raw | 36_PolarDaphniaExtract_QA_pos_1.raw | DMA of D. magna (2022) | POL_WCX_NA_AMD_MSM_BLANK_OTHER_NEG | EQUIL | 1 | NA | NA | NA | 0 | D-AMD | 0 | D-LCMS | NEGATIVE | EQUIL_NA_NA_NA_0_D-AMD_0_D-LCMS_NEGATIVE |
17500 | 36_PolarDaphniaExtract_QA_pos_1.mzML | 36_PolarDaphniaExtract_QA_pos_1.mzML | DMA of D. magna (2022) | POL_WCX_NA_AMD_MSM_BLANK_OTHER_NEG | EQUIL | 1 | NA | NA | NA | 0 | D-AMD | 0 | D-LCMS | NEGATIVE | EQUIL_NA_NA_NA_0_D-AMD_0_D-LCMS_NEGATIVE |