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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3326 | Blank_Apolar_C18Frac1_LCMS_pos_inj4.raw | Blank_Apolar_C18Frac1_LCMS_pos_inj4.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 |
3327 | Blank_Apolar_C18Frac1_LCMS_pos_inj4.mzML | Blank_Apolar_C18Frac1_LCMS_pos_inj4.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 |
3328 | Blank_Apolar_C18Frac1_LCMS_pos_inj5.raw | Blank_Apolar_C18Frac1_LCMS_pos_inj5.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 |
3329 | Blank_Apolar_C18Frac1_LCMS_pos_inj5.mzML | Blank_Apolar_C18Frac1_LCMS_pos_inj5.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 |
3330 | Daph_Apolar_C18Frac1_LCMS_pos_inj1.raw | Daph_Apolar_C18Frac1_LCMS_pos_inj1.raw | DMA of D. magna (2022) | APOL_C18_1_C30_POS | DAPH | 1 | D-CULT | D-APOL | D-C18 | 1 | D-C30 | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-APOL_D-C18_1_D-C30_0_D-LCMS_POSITIVE |
3331 | Daph_Apolar_C18Frac1_LCMS_pos_inj1.mzML | Daph_Apolar_C18Frac1_LCMS_pos_inj1.mzML | DMA of D. magna (2022) | APOL_C18_1_C30_POS | DAPH | 1 | D-CULT | D-APOL | D-C18 | 1 | D-C30 | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-APOL_D-C18_1_D-C30_0_D-LCMS_POSITIVE |
3332 | Daph_Apolar_C18Frac1_LCMS_pos_inj2.raw | Daph_Apolar_C18Frac1_LCMS_pos_inj2.raw | DMA of D. magna (2022) | APOL_C18_1_C30_POS | DAPH | 1 | D-CULT | D-APOL | D-C18 | 1 | D-C30 | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-APOL_D-C18_1_D-C30_0_D-LCMS_POSITIVE |
3333 | Daph_Apolar_C18Frac1_LCMS_pos_inj2.mzML | Daph_Apolar_C18Frac1_LCMS_pos_inj2.mzML | DMA of D. magna (2022) | APOL_C18_1_C30_POS | DAPH | 1 | D-CULT | D-APOL | D-C18 | 1 | D-C30 | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-APOL_D-C18_1_D-C30_0_D-LCMS_POSITIVE |
3334 | Daph_Apolar_C18Frac1_LCMS_pos_inj3.raw | Daph_Apolar_C18Frac1_LCMS_pos_inj3.raw | DMA of D. magna (2022) | APOL_C18_1_C30_POS | DAPH | 1 | D-CULT | D-APOL | D-C18 | 1 | D-C30 | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-APOL_D-C18_1_D-C30_0_D-LCMS_POSITIVE |
3335 | Daph_Apolar_C18Frac1_LCMS_pos_inj3.mzML | Daph_Apolar_C18Frac1_LCMS_pos_inj3.mzML | DMA of D. magna (2022) | APOL_C18_1_C30_POS | DAPH | 1 | D-CULT | D-APOL | D-C18 | 1 | D-C30 | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-APOL_D-C18_1_D-C30_0_D-LCMS_POSITIVE |
3336 | Daph_Apolar_C18Frac1_LCMS_pos_inj4.raw | Daph_Apolar_C18Frac1_LCMS_pos_inj4.raw | DMA of D. magna (2022) | APOL_C18_1_C30_POS | DAPH | 1 | D-CULT | D-APOL | D-C18 | 1 | D-C30 | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-APOL_D-C18_1_D-C30_0_D-LCMS_POSITIVE |
3337 | Daph_Apolar_C18Frac1_LCMS_pos_inj4.mzML | Daph_Apolar_C18Frac1_LCMS_pos_inj4.mzML | DMA of D. magna (2022) | APOL_C18_1_C30_POS | DAPH | 1 | D-CULT | D-APOL | D-C18 | 1 | D-C30 | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-APOL_D-C18_1_D-C30_0_D-LCMS_POSITIVE |
3338 | Daph_Apolar_C18Frac1_LCMS_pos_inj5.raw | Daph_Apolar_C18Frac1_LCMS_pos_inj5.raw | DMA of D. magna (2022) | APOL_C18_1_C30_POS | DAPH | 1 | D-CULT | D-APOL | D-C18 | 1 | D-C30 | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-APOL_D-C18_1_D-C30_0_D-LCMS_POSITIVE |
3339 | Daph_Apolar_C18Frac1_LCMS_pos_inj5.mzML | Daph_Apolar_C18Frac1_LCMS_pos_inj5.mzML | DMA of D. magna (2022) | APOL_C18_1_C30_POS | DAPH | 1 | D-CULT | D-APOL | D-C18 | 1 | D-C30 | 0 | D-LCMS | POSITIVE | DAPH_D-CULT_D-APOL_D-C18_1_D-C30_0_D-LCMS_POSITIVE |
3340 | Daph_Apolar_C18Frac1_LCMSMS_pos_incl1_inj1.raw | Daph_Apolar_C18Frac1_LCMSMS_pos_incl1_inj1.raw | DMA of D. magna (2022) | APOL_C18_1_C30_POS | DAPH | 1 | D-CULT | D-APOL | D-C18 | 1 | D-C30 | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-APOL_D-C18_1_D-C30_0_D-LCMSMS_POSITIVE |
3341 | Daph_Apolar_C18Frac1_LCMSMS_pos_incl1_inj1.mzML | Daph_Apolar_C18Frac1_LCMSMS_pos_incl1_inj1.mzML | DMA of D. magna (2022) | APOL_C18_1_C30_POS | DAPH | 1 | D-CULT | D-APOL | D-C18 | 1 | D-C30 | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-APOL_D-C18_1_D-C30_0_D-LCMSMS_POSITIVE |
3342 | Daph_Apolar_C18Frac1_LCMSMS_pos_incl1_inj2.raw | Daph_Apolar_C18Frac1_LCMSMS_pos_incl1_inj2.raw | DMA of D. magna (2022) | APOL_C18_1_C30_POS | DAPH | 1 | D-CULT | D-APOL | D-C18 | 1 | D-C30 | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-APOL_D-C18_1_D-C30_0_D-LCMSMS_POSITIVE |
3343 | Daph_Apolar_C18Frac1_LCMSMS_pos_incl1_inj2.mzML | Daph_Apolar_C18Frac1_LCMSMS_pos_incl1_inj2.mzML | DMA of D. magna (2022) | APOL_C18_1_C30_POS | DAPH | 1 | D-CULT | D-APOL | D-C18 | 1 | D-C30 | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-APOL_D-C18_1_D-C30_0_D-LCMSMS_POSITIVE |
3344 | Daph_Apolar_C18Frac1_LCMSMS_pos_incl2_inj1.raw | Daph_Apolar_C18Frac1_LCMSMS_pos_incl2_inj1.raw | DMA of D. magna (2022) | APOL_C18_1_C30_POS | DAPH | 1 | D-CULT | D-APOL | D-C18 | 1 | D-C30 | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-APOL_D-C18_1_D-C30_0_D-LCMSMS_POSITIVE |
3345 | Daph_Apolar_C18Frac1_LCMSMS_pos_incl2_inj1.mzML | Daph_Apolar_C18Frac1_LCMSMS_pos_incl2_inj1.mzML | DMA of D. magna (2022) | APOL_C18_1_C30_POS | DAPH | 1 | D-CULT | D-APOL | D-C18 | 1 | D-C30 | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-APOL_D-C18_1_D-C30_0_D-LCMSMS_POSITIVE |
3346 | Daph_Apolar_C18Frac1_LCMSMS_pos_incl2_inj2.raw | Daph_Apolar_C18Frac1_LCMSMS_pos_incl2_inj2.raw | DMA of D. magna (2022) | APOL_C18_1_C30_POS | DAPH | 1 | D-CULT | D-APOL | D-C18 | 1 | D-C30 | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-APOL_D-C18_1_D-C30_0_D-LCMSMS_POSITIVE |
3347 | Daph_Apolar_C18Frac1_LCMSMS_pos_incl2_inj2.mzML | Daph_Apolar_C18Frac1_LCMSMS_pos_incl2_inj2.mzML | DMA of D. magna (2022) | APOL_C18_1_C30_POS | DAPH | 1 | D-CULT | D-APOL | D-C18 | 1 | D-C30 | 0 | D-LCMSMS | POSITIVE | DAPH_D-CULT_D-APOL_D-C18_1_D-C30_0_D-LCMSMS_POSITIVE |
3348 | MSM_Apolar_C18Frac2_C30LCMS_neg_inj1.raw | MSM_Apolar_C18Frac2_C30LCMS_neg_inj1.raw | DMA of D. magna (2022) | APOL_C18_2_C30_MSM_NEG | COMPOUND | 1 | D-CULT | D-APOL | D-C18 | 2 | D-C30 | 0 | D-LCMS | NEGATIVE | COMPOUND_D-CULT_D-APOL_D-C18_2_D-C30_0_D-LCMS_NEGATIVE |
3349 | MSM_Apolar_C18Frac2_C30LCMS_neg_inj1.mzML | MSM_Apolar_C18Frac2_C30LCMS_neg_inj1.mzML | DMA of D. magna (2022) | APOL_C18_2_C30_MSM_NEG | COMPOUND | 1 | D-CULT | D-APOL | D-C18 | 2 | D-C30 | 0 | D-LCMS | NEGATIVE | COMPOUND_D-CULT_D-APOL_D-C18_2_D-C30_0_D-LCMS_NEGATIVE |
3350 | MSM_Apolar_C18Frac2_C30LCMS_neg_inj2.raw | MSM_Apolar_C18Frac2_C30LCMS_neg_inj2.raw | DMA of D. magna (2022) | APOL_C18_2_C30_MSM_NEG | COMPOUND | 1 | D-CULT | D-APOL | D-C18 | 2 | D-C30 | 0 | D-LCMS | NEGATIVE | COMPOUND_D-CULT_D-APOL_D-C18_2_D-C30_0_D-LCMS_NEGATIVE |