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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
11526 | Blank_P_WAX_3_LCMS-FC_Phenyl_pos_inj4.mzML | Blank_P_WAX_3_LCMS-FC_Phenyl_pos_inj4.mzML | DMA of D. magna (2022) | POL_WAX_3_PHE_POS | BLANK | 1 | D-CULT | D-POL | D-WAX | 3 | D-PHE | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WAX_3_D-PHE_0_D-LCMS_POSITIVE |
11527 | Blank_P_WAX_3_LCMS-FC_Phenyl_pos_inj5.raw | Blank_P_WAX_3_LCMS-FC_Phenyl_pos_inj5.raw | DMA of D. magna (2022) | POL_WAX_3_PHE_POS | BLANK | 1 | D-CULT | D-POL | D-WAX | 3 | D-PHE | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WAX_3_D-PHE_0_D-LCMS_POSITIVE |
11528 | Blank_P_WAX_3_LCMS-FC_Phenyl_pos_inj5.mzML | Blank_P_WAX_3_LCMS-FC_Phenyl_pos_inj5.mzML | DMA of D. magna (2022) | POL_WAX_3_PHE_POS | BLANK | 1 | D-CULT | D-POL | D-WAX | 3 | D-PHE | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WAX_3_D-PHE_0_D-LCMS_POSITIVE |
11529 | Daph_P_WAX_3_LCMS-FC_Phenyl_pos_inj1.raw | Daph_P_WAX_3_LCMS-FC_Phenyl_pos_inj1.raw | DMA of D. magna (2022) | POL_WAX_3_PHE_POS | DAPH | 1 | D-CULT | D-POL | D-WAX | 3 | D-PHE | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-POL_D-WAX_3_D-PHE_0_D-LCMS_POSITIVE |
11530 | Daph_P_WAX_3_LCMS-FC_Phenyl_pos_inj1.mzML | Daph_P_WAX_3_LCMS-FC_Phenyl_pos_inj1.mzML | DMA of D. magna (2022) | POL_WAX_3_PHE_POS | DAPH | 1 | D-CULT | D-POL | D-WAX | 3 | D-PHE | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-POL_D-WAX_3_D-PHE_0_D-LCMS_POSITIVE |
11531 | Daph_P_WAX_3_LCMS-FC_Phenyl_pos_inj2.raw | Daph_P_WAX_3_LCMS-FC_Phenyl_pos_inj2.raw | DMA of D. magna (2022) | POL_WAX_3_PHE_POS | DAPH | 1 | D-CULT | D-POL | D-WAX | 3 | D-PHE | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-POL_D-WAX_3_D-PHE_0_D-LCMS_POSITIVE |
11532 | Daph_P_WAX_3_LCMS-FC_Phenyl_pos_inj2.mzML | Daph_P_WAX_3_LCMS-FC_Phenyl_pos_inj2.mzML | DMA of D. magna (2022) | POL_WAX_3_PHE_POS | DAPH | 1 | D-CULT | D-POL | D-WAX | 3 | D-PHE | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-POL_D-WAX_3_D-PHE_0_D-LCMS_POSITIVE |
11533 | Daph_P_WAX_3_LCMS-FC_Phenyl_pos_inj3.raw | Daph_P_WAX_3_LCMS-FC_Phenyl_pos_inj3.raw | DMA of D. magna (2022) | POL_WAX_3_PHE_POS | DAPH | 1 | D-CULT | D-POL | D-WAX | 3 | D-PHE | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-POL_D-WAX_3_D-PHE_0_D-LCMS_POSITIVE |
11534 | Daph_P_WAX_3_LCMS-FC_Phenyl_pos_inj3.mzML | Daph_P_WAX_3_LCMS-FC_Phenyl_pos_inj3.mzML | DMA of D. magna (2022) | POL_WAX_3_PHE_POS | DAPH | 1 | D-CULT | D-POL | D-WAX | 3 | D-PHE | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-POL_D-WAX_3_D-PHE_0_D-LCMS_POSITIVE |
11535 | Daph_P_WAX_3_LCMS-FC_Phenyl_pos_inj4.raw | Daph_P_WAX_3_LCMS-FC_Phenyl_pos_inj4.raw | DMA of D. magna (2022) | POL_WAX_3_PHE_POS | DAPH | 1 | D-CULT | D-POL | D-WAX | 3 | D-PHE | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-POL_D-WAX_3_D-PHE_0_D-LCMS_POSITIVE |
11536 | Daph_P_WAX_3_LCMS-FC_Phenyl_pos_inj4.mzML | Daph_P_WAX_3_LCMS-FC_Phenyl_pos_inj4.mzML | DMA of D. magna (2022) | POL_WAX_3_PHE_POS | DAPH | 1 | D-CULT | D-POL | D-WAX | 3 | D-PHE | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-POL_D-WAX_3_D-PHE_0_D-LCMS_POSITIVE |
11537 | Daph_P_WAX_3_LCMS-FC_Phenyl_pos_inj5.raw | Daph_P_WAX_3_LCMS-FC_Phenyl_pos_inj5.raw | DMA of D. magna (2022) | POL_WAX_3_PHE_POS | DAPH | 1 | D-CULT | D-POL | D-WAX | 3 | D-PHE | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-POL_D-WAX_3_D-PHE_0_D-LCMS_POSITIVE |
11538 | Daph_P_WAX_3_LCMS-FC_Phenyl_pos_inj5.mzML | Daph_P_WAX_3_LCMS-FC_Phenyl_pos_inj5.mzML | DMA of D. magna (2022) | POL_WAX_3_PHE_POS | DAPH | 1 | D-CULT | D-POL | D-WAX | 3 | D-PHE | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-POL_D-WAX_3_D-PHE_0_D-LCMS_POSITIVE |
11539 | Daph_P_WAX_3_LCMSMS-FC_Phenyl_pos_inj1.raw | Daph_P_WAX_3_LCMSMS-FC_Phenyl_pos_inj1.raw | DMA of D. magna (2022) | POL_WAX_3_PHE_POS | DAPH | 1 | D-CULT | D-POL | D-WAX | 3 | D-PHE | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-POL_D-WAX_3_D-PHE_0_D-LCMSMS_POSITIVE |
11540 | Daph_P_WAX_3_LCMSMS-FC_Phenyl_pos_inj1.mzML | Daph_P_WAX_3_LCMSMS-FC_Phenyl_pos_inj1.mzML | DMA of D. magna (2022) | POL_WAX_3_PHE_POS | DAPH | 1 | D-CULT | D-POL | D-WAX | 3 | D-PHE | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-POL_D-WAX_3_D-PHE_0_D-LCMSMS_POSITIVE |
11541 | Daph_P_WAX_3_LCMSMS-FC_Phenyl_pos_inj2.raw | Daph_P_WAX_3_LCMSMS-FC_Phenyl_pos_inj2.raw | DMA of D. magna (2022) | POL_WAX_3_PHE_POS | DAPH | 1 | D-CULT | D-POL | D-WAX | 3 | D-PHE | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-POL_D-WAX_3_D-PHE_0_D-LCMSMS_POSITIVE |
11542 | Daph_P_WAX_3_LCMSMS-FC_Phenyl_pos_inj2.mzML | Daph_P_WAX_3_LCMSMS-FC_Phenyl_pos_inj2.mzML | DMA of D. magna (2022) | POL_WAX_3_PHE_POS | DAPH | 1 | D-CULT | D-POL | D-WAX | 3 | D-PHE | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-POL_D-WAX_3_D-PHE_0_D-LCMSMS_POSITIVE |
11543 | Daph_P_WAX_3_LCMSMS-FC_Phenyl_pos_inj3.raw | Daph_P_WAX_3_LCMSMS-FC_Phenyl_pos_inj3.raw | DMA of D. magna (2022) | POL_WAX_3_PHE_POS | DAPH | 1 | D-CULT | D-POL | D-WAX | 3 | D-PHE | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-POL_D-WAX_3_D-PHE_0_D-LCMSMS_POSITIVE |
11544 | Daph_P_WAX_3_LCMSMS-FC_Phenyl_pos_inj3.mzML | Daph_P_WAX_3_LCMSMS-FC_Phenyl_pos_inj3.mzML | DMA of D. magna (2022) | POL_WAX_3_PHE_POS | DAPH | 1 | D-CULT | D-POL | D-WAX | 3 | D-PHE | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-POL_D-WAX_3_D-PHE_0_D-LCMSMS_POSITIVE |
11545 | Daph_P_WAX_3_LCMSMS-FC_Phenyl_pos_inj4.raw | Daph_P_WAX_3_LCMSMS-FC_Phenyl_pos_inj4.raw | DMA of D. magna (2022) | POL_WAX_3_PHE_POS | DAPH | 1 | D-CULT | D-POL | D-WAX | 3 | D-PHE | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-POL_D-WAX_3_D-PHE_0_D-LCMSMS_POSITIVE |
11546 | Daph_P_WAX_3_LCMSMS-FC_Phenyl_pos_inj4.mzML | Daph_P_WAX_3_LCMSMS-FC_Phenyl_pos_inj4.mzML | DMA of D. magna (2022) | POL_WAX_3_PHE_POS | DAPH | 1 | D-CULT | D-POL | D-WAX | 3 | D-PHE | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-POL_D-WAX_3_D-PHE_0_D-LCMSMS_POSITIVE |
11547 | C_P_WAX_4_AMD_NA_LCMS_NEG_1.raw | C_P_WAX_4_AMD_NA_LCMS_NEG_1.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_MSM_NEG | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMS | NEGATIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMS_NEGATIVE |
11548 | C_P_WAX_4_AMD_NA_LCMS_NEG_1.mzML | C_P_WAX_4_AMD_NA_LCMS_NEG_1.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_MSM_NEG | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMS | NEGATIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMS_NEGATIVE |
11549 | C_P_WAX_4_AMD_NA_LCMS_NEG_2.raw | C_P_WAX_4_AMD_NA_LCMS_NEG_2.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_MSM_NEG | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMS | NEGATIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMS_NEGATIVE |
11550 | C_P_WAX_4_AMD_NA_LCMS_NEG_2.mzML | C_P_WAX_4_AMD_NA_LCMS_NEG_2.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_MSM_NEG | COMPOUND | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMS | NEGATIVE | COMPOUND_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMS_NEGATIVE |