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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 11601 | 11_PolarExtract_Blank_QA_sample_pos_16_180122092226.raw | 11_PolarExtract_Blank_QA_sample_pos_16_180122092226.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_POS | EQUIL_BLANK | 1 | D-CULT | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_BLANK_D-CULT_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 11602 | 11_PolarExtract_Blank_QA_sample_pos_16_180122092226.mzML | 11_PolarExtract_Blank_QA_sample_pos_16_180122092226.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_POS | EQUIL_BLANK | 1 | D-CULT | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_BLANK_D-CULT_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 11603 | 11_PolarExtract_Blank_QA_sample_pos_2_180121213609.raw | 11_PolarExtract_Blank_QA_sample_pos_2_180121213609.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_POS | EQUIL_BLANK | 1 | D-CULT | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_BLANK_D-CULT_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 11604 | 11_PolarExtract_Blank_QA_sample_pos_2_180121213609.mzML | 11_PolarExtract_Blank_QA_sample_pos_2_180121213609.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_POS | EQUIL_BLANK | 1 | D-CULT | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_BLANK_D-CULT_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 11605 | 11_PolarExtract_Blank_QA_sample_pos_3_180122011305.raw | 11_PolarExtract_Blank_QA_sample_pos_3_180122011305.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_POS | EQUIL_BLANK | 1 | D-CULT | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_BLANK_D-CULT_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 11606 | 11_PolarExtract_Blank_QA_sample_pos_3_180122011305.mzML | 11_PolarExtract_Blank_QA_sample_pos_3_180122011305.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_POS | EQUIL_BLANK | 1 | D-CULT | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_BLANK_D-CULT_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 11607 | 11_PolarExtract_Daphnia_QA_sample_pos_1_180121141911.raw | 11_PolarExtract_Daphnia_QA_sample_pos_1_180121141911.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_POS | EQUIL | 1 | D-CULT | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_D-CULT_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 11608 | 11_PolarExtract_Daphnia_QA_sample_pos_1_180121141911.mzML | 11_PolarExtract_Daphnia_QA_sample_pos_1_180121141911.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_POS | EQUIL | 1 | D-CULT | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_D-CULT_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 11609 | 11_PolarExtract_Daphnia_QA_sample_pos_2_180121145119.raw | 11_PolarExtract_Daphnia_QA_sample_pos_2_180121145119.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_POS | EQUIL | 1 | D-CULT | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_D-CULT_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 11610 | 11_PolarExtract_Daphnia_QA_sample_pos_2_180121145119.mzML | 11_PolarExtract_Daphnia_QA_sample_pos_2_180121145119.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_POS | EQUIL | 1 | D-CULT | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_D-CULT_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 11611 | 11_PolarExtract_Daphnia_QA_sample_pos_3_180121152319.raw | 11_PolarExtract_Daphnia_QA_sample_pos_3_180121152319.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_POS | EQUIL | 1 | D-CULT | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_D-CULT_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 11612 | 11_PolarExtract_Daphnia_QA_sample_pos_3_180121152319.mzML | 11_PolarExtract_Daphnia_QA_sample_pos_3_180121152319.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_POS | EQUIL | 1 | D-CULT | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_D-CULT_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 11613 | 11_PolarExtract_Daphnia_QA_sample_pos_4_180121155518.raw | 11_PolarExtract_Daphnia_QA_sample_pos_4_180121155518.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_POS | EQUIL | 1 | D-CULT | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_D-CULT_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 11614 | 11_PolarExtract_Daphnia_QA_sample_pos_4_180121155518.mzML | 11_PolarExtract_Daphnia_QA_sample_pos_4_180121155518.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_POS | EQUIL | 1 | D-CULT | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_D-CULT_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 11615 | 11_PolarExtract_Daphnia_QA_sample_pos_5_180121162720.raw | 11_PolarExtract_Daphnia_QA_sample_pos_5_180121162720.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_POS | EQUIL | 1 | D-CULT | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_D-CULT_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 11616 | 11_PolarExtract_Daphnia_QA_sample_pos_5_180121162720.mzML | 11_PolarExtract_Daphnia_QA_sample_pos_5_180121162720.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_POS | EQUIL | 1 | D-CULT | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_D-CULT_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 11617 | 11_PolarExtract_Daphnia_QA_sample_pos_6_180121203203.raw | 11_PolarExtract_Daphnia_QA_sample_pos_6_180121203203.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_POS | EQUIL | 1 | D-CULT | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_D-CULT_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 11618 | 11_PolarExtract_Daphnia_QA_sample_pos_6_180121203203.mzML | 11_PolarExtract_Daphnia_QA_sample_pos_6_180121203203.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_POS | EQUIL | 1 | D-CULT | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_D-CULT_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 11619 | 11_PolarExtract_Daphnia_QA_sample_pos_7_180121210409.raw | 11_PolarExtract_Daphnia_QA_sample_pos_7_180121210409.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_POS | EQUIL | 1 | D-CULT | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_D-CULT_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 11620 | 11_PolarExtract_Daphnia_QA_sample_pos_7_180121210409.mzML | 11_PolarExtract_Daphnia_QA_sample_pos_7_180121210409.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_POS | EQUIL | 1 | D-CULT | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_D-CULT_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 11621 | 11_PolarExtract_Daphnia_QA_sample_pos_8_180122051749.raw | 11_PolarExtract_Daphnia_QA_sample_pos_8_180122051749.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_POS | EQUIL | 1 | D-CULT | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_D-CULT_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 11622 | 11_PolarExtract_Daphnia_QA_sample_pos_8_180122051749.mzML | 11_PolarExtract_Daphnia_QA_sample_pos_8_180122051749.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_POS | EQUIL | 1 | D-CULT | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | EQUIL_D-CULT_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 11623 | 11_SolventBlank_PrerunSystemCheck_NoFracColl_180121134131.raw | 11_SolventBlank_PrerunSystemCheck_NoFracColl_180121134131.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_POS | MISC | 1 | NA | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | MISC_NA_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 11624 | 11_SolventBlank_PrerunSystemCheck_NoFracColl_180121134131.mzML | 11_SolventBlank_PrerunSystemCheck_NoFracColl_180121134131.mzML | DMA of D. magna (2022) | POL_WAX_4_AMD_POS | MISC | 1 | NA | NA | NA | 0 | D-AMD | 0 | D-LCMS | POSITIVE | MISC_NA_NA_NA_0_D-AMD_0_D-LCMS_POSITIVE |
| 11625 | A_P_WAX_4_AMD_NA_LC-MS_POS_MJ_REP1.raw | A_P_WAX_4_AMD_NA_LC-MS_POS_MJ_REP1.raw | DMA of D. magna (2022) | POL_WAX_4_AMD_POS | DAPH | 1 | D-CULT | D-POL | D-WAX | 4 | D-AMD | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-POL_D-WAX_4_D-AMD_0_D-LCMS_POSITIVE |