Metabolomics Data File Summary
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Summary of raw spectral data files (and open source equivalents)
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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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 3301 | 05_ColumnEquil_DaphApolExtract_pos_FinalInj.raw | 05_ColumnEquil_DaphApolExtract_pos_FinalInj.raw | DMA of D. magna (2022) | APOL_C18_1_C30_POS | EQUIL | 1 | D-CULT | NA | NA | 0 | D-C30 | 0 | D-LCMS | POSITIVE | EQUIL_D-CULT_NA_NA_0_D-C30_0_D-LCMS_POSITIVE |
| 3302 | 05_ColumnEquil_DaphApolExtract_pos_FinalInj.mzML | 05_ColumnEquil_DaphApolExtract_pos_FinalInj.mzML | DMA of D. magna (2022) | APOL_C18_1_C30_POS | EQUIL | 1 | D-CULT | NA | NA | 0 | D-C30 | 0 | D-LCMS | POSITIVE | EQUIL_D-CULT_NA_NA_0_D-C30_0_D-LCMS_POSITIVE |
| 3303 | 05_ColumnEquil_DaphApolExtract_pos_inj10.raw | 05_ColumnEquil_DaphApolExtract_pos_inj10.raw | DMA of D. magna (2022) | APOL_C18_1_C30_POS | EQUIL | 1 | D-CULT | NA | NA | 0 | D-C30 | 0 | D-LCMS | POSITIVE | EQUIL_D-CULT_NA_NA_0_D-C30_0_D-LCMS_POSITIVE |
| 3304 | 05_ColumnEquil_DaphApolExtract_pos_inj10.mzML | 05_ColumnEquil_DaphApolExtract_pos_inj10.mzML | DMA of D. magna (2022) | APOL_C18_1_C30_POS | EQUIL | 1 | D-CULT | NA | NA | 0 | D-C30 | 0 | D-LCMS | POSITIVE | EQUIL_D-CULT_NA_NA_0_D-C30_0_D-LCMS_POSITIVE |
| 3305 | 05_ColumnEquil_DaphApolExtract_pos_inj9.raw | 05_ColumnEquil_DaphApolExtract_pos_inj9.raw | DMA of D. magna (2022) | APOL_C18_1_C30_POS | EQUIL | 1 | D-CULT | NA | NA | 0 | D-C30 | 0 | D-LCMS | POSITIVE | EQUIL_D-CULT_NA_NA_0_D-C30_0_D-LCMS_POSITIVE |
| 3306 | 05_ColumnEquil_DaphApolExtract_pos_inj9.mzML | 05_ColumnEquil_DaphApolExtract_pos_inj9.mzML | DMA of D. magna (2022) | APOL_C18_1_C30_POS | EQUIL | 1 | D-CULT | NA | NA | 0 | D-C30 | 0 | D-LCMS | POSITIVE | EQUIL_D-CULT_NA_NA_0_D-C30_0_D-LCMS_POSITIVE |
| 3307 | 05_PrerunCheck_DaphApolExtract_splitImpact.raw | 05_PrerunCheck_DaphApolExtract_splitImpact.raw | DMA of D. magna (2022) | APOL_C18_1_C30_POS | MISC | 1 | NA | NA | NA | 0 | D-C30 | 0 | D-LCMS | POSITIVE | MISC_NA_NA_NA_0_D-C30_0_D-LCMS_POSITIVE |
| 3308 | 05_PrerunCheck_DaphApolExtract_splitImpact_160111162420.raw | 05_PrerunCheck_DaphApolExtract_splitImpact_160111162420.raw | DMA of D. magna (2022) | APOL_C18_1_C30_POS | MISC | 1 | NA | NA | NA | 0 | D-C30 | 0 | D-LCMS | POSITIVE | MISC_NA_NA_NA_0_D-C30_0_D-LCMS_POSITIVE |
| 3309 | 05_PrerunCheck_DaphApolExtract_splitImpact_160111162420.mzML | 05_PrerunCheck_DaphApolExtract_splitImpact_160111162420.mzML | DMA of D. magna (2022) | APOL_C18_1_C30_POS | MISC | 1 | NA | NA | NA | 0 | D-C30 | 0 | D-LCMS | POSITIVE | MISC_NA_NA_NA_0_D-C30_0_D-LCMS_POSITIVE |
| 3310 | 05_PrerunCheck_HigherMassRange_neg_DaphApExtrct.raw | 05_PrerunCheck_HigherMassRange_neg_DaphApExtrct.raw | DMA of D. magna (2022) | APOL_C18_1_C30_POS | MISC | 1 | NA | NA | NA | 0 | D-C30 | 0 | D-LCMS | POSITIVE | MISC_NA_NA_NA_0_D-C30_0_D-LCMS_POSITIVE |
| 3311 | 05_PrerunCheck_HigherMassRange_neg_DaphApExtrct.mzML | 05_PrerunCheck_HigherMassRange_neg_DaphApExtrct.mzML | DMA of D. magna (2022) | APOL_C18_1_C30_POS | MISC | 1 | NA | NA | NA | 0 | D-C30 | 0 | D-LCMS | POSITIVE | MISC_NA_NA_NA_0_D-C30_0_D-LCMS_POSITIVE |
| 3312 | 05_PrerunCheck_HigherMassRange_pos_DaphApExtrct.raw | 05_PrerunCheck_HigherMassRange_pos_DaphApExtrct.raw | DMA of D. magna (2022) | APOL_C18_1_C30_POS | MISC | 1 | NA | NA | NA | 0 | D-C30 | 0 | D-LCMS | POSITIVE | MISC_NA_NA_NA_0_D-C30_0_D-LCMS_POSITIVE |
| 3313 | 05_PrerunCheck_HigherMassRange_pos_DaphApExtrct.mzML | 05_PrerunCheck_HigherMassRange_pos_DaphApExtrct.mzML | DMA of D. magna (2022) | APOL_C18_1_C30_POS | MISC | 1 | NA | NA | NA | 0 | D-C30 | 0 | D-LCMS | POSITIVE | MISC_NA_NA_NA_0_D-C30_0_D-LCMS_POSITIVE |
| 3314 | 05_PrerunCheck_RegMassRange_140K_pos_DaphApExtrct.raw | 05_PrerunCheck_RegMassRange_140K_pos_DaphApExtrct.raw | DMA of D. magna (2022) | APOL_C18_1_C30_POS | MISC | 1 | NA | NA | NA | 0 | D-C30 | 0 | D-LCMS | POSITIVE | MISC_NA_NA_NA_0_D-C30_0_D-LCMS_POSITIVE |
| 3315 | 05_PrerunCheck_RegMassRange_140K_pos_DaphApExtrct.mzML | 05_PrerunCheck_RegMassRange_140K_pos_DaphApExtrct.mzML | DMA of D. magna (2022) | APOL_C18_1_C30_POS | MISC | 1 | NA | NA | NA | 0 | D-C30 | 0 | D-LCMS | POSITIVE | MISC_NA_NA_NA_0_D-C30_0_D-LCMS_POSITIVE |
| 3316 | 05_SystemCheck_1to1_IPA_MeCN.raw | 05_SystemCheck_1to1_IPA_MeCN.raw | DMA of D. magna (2022) | APOL_C18_1_C30_POS | MISC | 1 | NA | NA | NA | 0 | D-C30 | 0 | D-LCMS | POSITIVE | MISC_NA_NA_NA_0_D-C30_0_D-LCMS_POSITIVE |
| 3317 | 05_SystemCheck_1to1_IPA_MeCN.mzML | 05_SystemCheck_1to1_IPA_MeCN.mzML | DMA of D. magna (2022) | APOL_C18_1_C30_POS | MISC | 1 | NA | NA | NA | 0 | D-C30 | 0 | D-LCMS | POSITIVE | MISC_NA_NA_NA_0_D-C30_0_D-LCMS_POSITIVE |
| 3318 | 05_SystemCheck_1to1_IPA_MeCN_160111130018.raw | 05_SystemCheck_1to1_IPA_MeCN_160111130018.raw | DMA of D. magna (2022) | APOL_C18_1_C30_POS | MISC | 1 | NA | NA | NA | 0 | D-C30 | 0 | D-LCMS | POSITIVE | MISC_NA_NA_NA_0_D-C30_0_D-LCMS_POSITIVE |
| 3319 | 05_SystemCheck_1to1_IPA_MeCN_160111130018.mzML | 05_SystemCheck_1to1_IPA_MeCN_160111130018.mzML | DMA of D. magna (2022) | APOL_C18_1_C30_POS | MISC | 1 | NA | NA | NA | 0 | D-C30 | 0 | D-LCMS | POSITIVE | MISC_NA_NA_NA_0_D-C30_0_D-LCMS_POSITIVE |
| 3320 | Blank_Apolar_C18Frac1_LCMS_pos_inj1.raw | Blank_Apolar_C18Frac1_LCMS_pos_inj1.raw | DMA of D. magna (2022) | APOL_C18_1_C30_POS | BLANK | 1 | D-CULT | D-APOL | D-C18 | 1 | D-C30 | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-APOL_D-C18_1_D-C30_0_D-LCMS_POSITIVE |
| 3321 | Blank_Apolar_C18Frac1_LCMS_pos_inj1.mzML | Blank_Apolar_C18Frac1_LCMS_pos_inj1.mzML | DMA of D. magna (2022) | APOL_C18_1_C30_POS | BLANK | 1 | D-CULT | D-APOL | D-C18 | 1 | D-C30 | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-APOL_D-C18_1_D-C30_0_D-LCMS_POSITIVE |
| 3322 | Blank_Apolar_C18Frac1_LCMS_pos_inj2.raw | Blank_Apolar_C18Frac1_LCMS_pos_inj2.raw | DMA of D. magna (2022) | APOL_C18_1_C30_POS | BLANK | 1 | D-CULT | D-APOL | D-C18 | 1 | D-C30 | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-APOL_D-C18_1_D-C30_0_D-LCMS_POSITIVE |
| 3323 | Blank_Apolar_C18Frac1_LCMS_pos_inj2.mzML | Blank_Apolar_C18Frac1_LCMS_pos_inj2.mzML | DMA of D. magna (2022) | APOL_C18_1_C30_POS | BLANK | 1 | D-CULT | D-APOL | D-C18 | 1 | D-C30 | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-APOL_D-C18_1_D-C30_0_D-LCMS_POSITIVE |
| 3324 | Blank_Apolar_C18Frac1_LCMS_pos_inj3.raw | Blank_Apolar_C18Frac1_LCMS_pos_inj3.raw | DMA of D. magna (2022) | APOL_C18_1_C30_POS | BLANK | 1 | D-CULT | D-APOL | D-C18 | 1 | D-C30 | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-APOL_D-C18_1_D-C30_0_D-LCMS_POSITIVE |
| 3325 | Blank_Apolar_C18Frac1_LCMS_pos_inj3.mzML | Blank_Apolar_C18Frac1_LCMS_pos_inj3.mzML | DMA of D. magna (2022) | APOL_C18_1_C30_POS | BLANK | 1 | D-CULT | D-APOL | D-C18 | 1 | D-C30 | 0 | D-LCMS | POSITIVE | BLANK_D-CULT_D-APOL_D-C18_1_D-C30_0_D-LCMS_POSITIVE |