Metabolomics Data File Summary
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Summary of raw spectral data files (and open source equivalents)
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Summary
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ID
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Original filename
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Data file
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Study
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Assay
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Sample name
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tech replicate
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Sample collection
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Liquid Phase Extraction (LPE)
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Solid Phase Extraction (SPE)
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SPE frac
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Chromatography
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Chromatography frac
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Measurement
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Polarity
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Code field
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| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 17526 | 36_PolarDaphniaExtract_QA_pos_6.mzML | 36_PolarDaphniaExtract_QA_pos_6.mzML | DMA of D. magna (2022) | POL_WCX_NA_AMD_MSM_BLANK_OTHER_POS | EQUIL | 1 | NA | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 17527 | 36_PolarDaphniaExtract_QA_pos_6_180227125841.raw | 36_PolarDaphniaExtract_QA_pos_6_180227125841.raw | DMA of D. magna (2022) | POL_WCX_NA_AMD_MSM_BLANK_OTHER_POS | EQUIL | 1 | NA | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 17528 | 36_PolarDaphniaExtract_QA_pos_6_180227125841.mzML | 36_PolarDaphniaExtract_QA_pos_6_180227125841.mzML | DMA of D. magna (2022) | POL_WCX_NA_AMD_MSM_BLANK_OTHER_POS | EQUIL | 1 | NA | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 17529 | 36_PolarDaphniaExtract_QA_pos_7.raw | 36_PolarDaphniaExtract_QA_pos_7.raw | DMA of D. magna (2022) | POL_WCX_NA_AMD_MSM_BLANK_OTHER_POS | EQUIL | 1 | NA | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 17530 | 36_PolarDaphniaExtract_QA_pos_7.mzML | 36_PolarDaphniaExtract_QA_pos_7.mzML | DMA of D. magna (2022) | POL_WCX_NA_AMD_MSM_BLANK_OTHER_POS | EQUIL | 1 | NA | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 17531 | 36_PolarDaphniaExtract_QA_pos_7_180227211615.raw | 36_PolarDaphniaExtract_QA_pos_7_180227211615.raw | DMA of D. magna (2022) | POL_WCX_NA_AMD_MSM_BLANK_OTHER_POS | EQUIL | 1 | NA | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 17532 | 36_PolarDaphniaExtract_QA_pos_7_180227211615.mzML | 36_PolarDaphniaExtract_QA_pos_7_180227211615.mzML | DMA of D. magna (2022) | POL_WCX_NA_AMD_MSM_BLANK_OTHER_POS | EQUIL | 1 | NA | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 17533 | B_NA_WCX_AMD_NA_LCMS_POS_1_MSM.raw | B_NA_WCX_AMD_NA_LCMS_POS_1_MSM.raw | DMA of D. magna (2022) | POL_WCX_NA_AMD_MSM_BLANK_OTHER_POS | BLANK | 1 | D-CULT | D-POL | D-WCX | 0 | D-AMD | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WCX_0_D-AMD_0_D-LCMS_POSITIVE |
| 17534 | B_NA_WCX_AMD_NA_LCMS_POS_1_MSM.mzML | B_NA_WCX_AMD_NA_LCMS_POS_1_MSM.mzML | DMA of D. magna (2022) | POL_WCX_NA_AMD_MSM_BLANK_OTHER_POS | BLANK | 1 | D-CULT | D-POL | D-WCX | 0 | D-AMD | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WCX_0_D-AMD_0_D-LCMS_POSITIVE |
| 17535 | B_NA_WCX_AMD_NA_LCMS_POS_2_MSM.raw | B_NA_WCX_AMD_NA_LCMS_POS_2_MSM.raw | DMA of D. magna (2022) | POL_WCX_NA_AMD_MSM_BLANK_OTHER_POS | BLANK | 1 | D-CULT | D-POL | D-WCX | 0 | D-AMD | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WCX_0_D-AMD_0_D-LCMS_POSITIVE |
| 17536 | B_NA_WCX_AMD_NA_LCMS_POS_2_MSM.mzML | B_NA_WCX_AMD_NA_LCMS_POS_2_MSM.mzML | DMA of D. magna (2022) | POL_WCX_NA_AMD_MSM_BLANK_OTHER_POS | BLANK | 1 | D-CULT | D-POL | D-WCX | 0 | D-AMD | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WCX_0_D-AMD_0_D-LCMS_POSITIVE |
| 17537 | B_NA_WCX_AMD_NA_LCMS_POS_3_MSM.raw | B_NA_WCX_AMD_NA_LCMS_POS_3_MSM.raw | DMA of D. magna (2022) | POL_WCX_NA_AMD_MSM_BLANK_OTHER_POS | BLANK | 1 | D-CULT | D-POL | D-WCX | 0 | D-AMD | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WCX_0_D-AMD_0_D-LCMS_POSITIVE |
| 17538 | B_NA_WCX_AMD_NA_LCMS_POS_3_MSM.mzML | B_NA_WCX_AMD_NA_LCMS_POS_3_MSM.mzML | DMA of D. magna (2022) | POL_WCX_NA_AMD_MSM_BLANK_OTHER_POS | BLANK | 1 | D-CULT | D-POL | D-WCX | 0 | D-AMD | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-POL_D-WCX_0_D-AMD_0_D-LCMS_POSITIVE |
| 17539 | SolventBlank_MSM_WCX_PHE_neg_inj1.raw | SolventBlank_MSM_WCX_PHE_neg_inj1.raw | DMA of D. magna (2022) | POL_WCX_NA_PHE_MSM_BLANK_OTHER_NEG | BLANK | 1 | D-CULT | D-POL | D-WCX | 0 | D-PHE | 0 | D-LCMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_0_D-PHE_0_D-LCMS_NEGATIVE |
| 17540 | SolventBlank_MSM_WCX_PHE_neg_inj1.mzML | SolventBlank_MSM_WCX_PHE_neg_inj1.mzML | DMA of D. magna (2022) | POL_WCX_NA_PHE_MSM_BLANK_OTHER_NEG | BLANK | 1 | D-CULT | D-POL | D-WCX | 0 | D-PHE | 0 | D-LCMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_0_D-PHE_0_D-LCMS_NEGATIVE |
| 17541 | SolventBlank_MSM_WCX_PHE_neg_inj2.raw | SolventBlank_MSM_WCX_PHE_neg_inj2.raw | DMA of D. magna (2022) | POL_WCX_NA_PHE_MSM_BLANK_OTHER_NEG | BLANK | 1 | D-CULT | D-POL | D-WCX | 0 | D-PHE | 0 | D-LCMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_0_D-PHE_0_D-LCMS_NEGATIVE |
| 17542 | SolventBlank_MSM_WCX_PHE_neg_inj2.mzML | SolventBlank_MSM_WCX_PHE_neg_inj2.mzML | DMA of D. magna (2022) | POL_WCX_NA_PHE_MSM_BLANK_OTHER_NEG | BLANK | 1 | D-CULT | D-POL | D-WCX | 0 | D-PHE | 0 | D-LCMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_0_D-PHE_0_D-LCMS_NEGATIVE |
| 17543 | SolventBlank_MSM_WCX_PHE_neg_inj3.raw | SolventBlank_MSM_WCX_PHE_neg_inj3.raw | DMA of D. magna (2022) | POL_WCX_NA_PHE_MSM_BLANK_OTHER_NEG | BLANK | 1 | D-CULT | D-POL | D-WCX | 0 | D-PHE | 0 | D-LCMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_0_D-PHE_0_D-LCMS_NEGATIVE |
| 17544 | SolventBlank_MSM_WCX_PHE_neg_inj3.mzML | SolventBlank_MSM_WCX_PHE_neg_inj3.mzML | DMA of D. magna (2022) | POL_WCX_NA_PHE_MSM_BLANK_OTHER_NEG | BLANK | 1 | D-CULT | D-POL | D-WCX | 0 | D-PHE | 0 | D-LCMS | NEGATIVE | BLANK_D-CULT_D-POL_D-WCX_0_D-PHE_0_D-LCMS_NEGATIVE |
| 17545 | 37_ColumnEquilibration_DaphniaPolarExtract_inj1.raw | 37_ColumnEquilibration_DaphniaPolarExtract_inj1.raw | DMA of D. magna (2022) | POL_WCX_NA_PHE_MSM_BLANK_OTHER_POS | EQUIL | 1 | NA | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 17546 | 37_ColumnEquilibration_DaphniaPolarExtract_inj1.mzML | 37_ColumnEquilibration_DaphniaPolarExtract_inj1.mzML | DMA of D. magna (2022) | POL_WCX_NA_PHE_MSM_BLANK_OTHER_POS | EQUIL | 1 | NA | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 17547 | 37_ColumnEquilibration_DaphniaPolarExtract_inj2.raw | 37_ColumnEquilibration_DaphniaPolarExtract_inj2.raw | DMA of D. magna (2022) | POL_WCX_NA_PHE_MSM_BLANK_OTHER_POS | EQUIL | 1 | NA | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 17548 | 37_ColumnEquilibration_DaphniaPolarExtract_inj2.mzML | 37_ColumnEquilibration_DaphniaPolarExtract_inj2.mzML | DMA of D. magna (2022) | POL_WCX_NA_PHE_MSM_BLANK_OTHER_POS | EQUIL | 1 | NA | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 17549 | 37_ColumnEquilibration_DaphniaPolarExtract_inj3.raw | 37_ColumnEquilibration_DaphniaPolarExtract_inj3.raw | DMA of D. magna (2022) | POL_WCX_NA_PHE_MSM_BLANK_OTHER_POS | EQUIL | 1 | NA | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 17550 | 37_ColumnEquilibration_DaphniaPolarExtract_inj3.mzML | 37_ColumnEquilibration_DaphniaPolarExtract_inj3.mzML | DMA of D. magna (2022) | POL_WCX_NA_PHE_MSM_BLANK_OTHER_POS | EQUIL | 1 | NA | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_NA_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |