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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 | MSM_Apolar_AMPFrac1_C30LCMS_neg_inj1.raw | MSM_Apolar_AMPFrac1_C30LCMS_neg_inj1.raw | DMA of D. magna (2022) | APOL_AMP_1_C30_MSM_NEG | COMPOUND | 1 | D-CULT | D-APOL | D-AMP | 1 | D-C30 | 0 | D-LCMS | NEGATIVE | COMPOUND_D-CULT_D-APOL_D-AMP_1_D-C30_0_D-LCMS_NEGATIVE |
2 | MSM_Apolar_AMPFrac1_C30LCMS_neg_inj1.mzML | MSM_Apolar_AMPFrac1_C30LCMS_neg_inj1.mzML | DMA of D. magna (2022) | APOL_AMP_1_C30_MSM_NEG | COMPOUND | 1 | D-CULT | D-APOL | D-AMP | 1 | D-C30 | 0 | D-LCMS | NEGATIVE | COMPOUND_D-CULT_D-APOL_D-AMP_1_D-C30_0_D-LCMS_NEGATIVE |
3 | MSM_Apolar_AMPFrac1_C30LCMS_neg_inj2.raw | MSM_Apolar_AMPFrac1_C30LCMS_neg_inj2.raw | DMA of D. magna (2022) | APOL_AMP_1_C30_MSM_NEG | COMPOUND | 1 | D-CULT | D-APOL | D-AMP | 1 | D-C30 | 0 | D-LCMS | NEGATIVE | COMPOUND_D-CULT_D-APOL_D-AMP_1_D-C30_0_D-LCMS_NEGATIVE |
4 | MSM_Apolar_AMPFrac1_C30LCMS_neg_inj2.mzML | MSM_Apolar_AMPFrac1_C30LCMS_neg_inj2.mzML | DMA of D. magna (2022) | APOL_AMP_1_C30_MSM_NEG | COMPOUND | 1 | D-CULT | D-APOL | D-AMP | 1 | D-C30 | 0 | D-LCMS | NEGATIVE | COMPOUND_D-CULT_D-APOL_D-AMP_1_D-C30_0_D-LCMS_NEGATIVE |
5 | MSM_Apolar_AMPFrac1_C30LCMS_neg_inj3.raw | MSM_Apolar_AMPFrac1_C30LCMS_neg_inj3.raw | DMA of D. magna (2022) | APOL_AMP_1_C30_MSM_NEG | COMPOUND | 1 | D-CULT | D-APOL | D-AMP | 1 | D-C30 | 0 | D-LCMS | NEGATIVE | COMPOUND_D-CULT_D-APOL_D-AMP_1_D-C30_0_D-LCMS_NEGATIVE |
6 | MSM_Apolar_AMPFrac1_C30LCMS_neg_inj3.mzML | MSM_Apolar_AMPFrac1_C30LCMS_neg_inj3.mzML | DMA of D. magna (2022) | APOL_AMP_1_C30_MSM_NEG | COMPOUND | 1 | D-CULT | D-APOL | D-AMP | 1 | D-C30 | 0 | D-LCMS | NEGATIVE | COMPOUND_D-CULT_D-APOL_D-AMP_1_D-C30_0_D-LCMS_NEGATIVE |
7 | MSM_Apolar_AMPFrac1_C30LCMSMS_COMBO_neg_inj1.raw | MSM_Apolar_AMPFrac1_C30LCMSMS_COMBO_neg_inj1.raw | DMA of D. magna (2022) | APOL_AMP_1_C30_MSM_NEG | COMPOUND | 1 | D-CULT | D-APOL | D-AMP | 1 | D-C30 | 0 | D-LCMSMS | NEGATIVE | COMPOUND_D-CULT_D-APOL_D-AMP_1_D-C30_0_D-LCMSMS_NEGATIVE |
8 | MSM_Apolar_AMPFrac1_C30LCMSMS_COMBO_neg_inj1.mzML | MSM_Apolar_AMPFrac1_C30LCMSMS_COMBO_neg_inj1.mzML | DMA of D. magna (2022) | APOL_AMP_1_C30_MSM_NEG | COMPOUND | 1 | D-CULT | D-APOL | D-AMP | 1 | D-C30 | 0 | D-LCMSMS | NEGATIVE | COMPOUND_D-CULT_D-APOL_D-AMP_1_D-C30_0_D-LCMSMS_NEGATIVE |
9 | MSM_Apolar_AMPFrac1_C30LCMSMS_COMBO_neg_inj2.raw | MSM_Apolar_AMPFrac1_C30LCMSMS_COMBO_neg_inj2.raw | DMA of D. magna (2022) | APOL_AMP_1_C30_MSM_NEG | COMPOUND | 1 | D-CULT | D-APOL | D-AMP | 1 | D-C30 | 0 | D-LCMSMS | NEGATIVE | COMPOUND_D-CULT_D-APOL_D-AMP_1_D-C30_0_D-LCMSMS_NEGATIVE |
10 | MSM_Apolar_AMPFrac1_C30LCMSMS_COMBO_neg_inj2.mzML | MSM_Apolar_AMPFrac1_C30LCMSMS_COMBO_neg_inj2.mzML | DMA of D. magna (2022) | APOL_AMP_1_C30_MSM_NEG | COMPOUND | 1 | D-CULT | D-APOL | D-AMP | 1 | D-C30 | 0 | D-LCMSMS | NEGATIVE | COMPOUND_D-CULT_D-APOL_D-AMP_1_D-C30_0_D-LCMSMS_NEGATIVE |
11 | MSM_Apolar_AMPFrac1_C30LCMS_pos_inj1.raw | MSM_Apolar_AMPFrac1_C30LCMS_pos_inj1.raw | DMA of D. magna (2022) | APOL_AMP_1_C30_MSM_POS | COMPOUND | 1 | D-CULT | D-APOL | D-AMP | 1 | D-C30 | 0 | D-LCMS | POSITIVE | COMPOUND_D-CULT_D-APOL_D-AMP_1_D-C30_0_D-LCMS_POSITIVE |
12 | MSM_Apolar_AMPFrac1_C30LCMS_pos_inj1.mzML | MSM_Apolar_AMPFrac1_C30LCMS_pos_inj1.mzML | DMA of D. magna (2022) | APOL_AMP_1_C30_MSM_POS | COMPOUND | 1 | D-CULT | D-APOL | D-AMP | 1 | D-C30 | 0 | D-LCMS | POSITIVE | COMPOUND_D-CULT_D-APOL_D-AMP_1_D-C30_0_D-LCMS_POSITIVE |
13 | MSM_Apolar_AMPFrac1_C30LCMS_pos_inj2.raw | MSM_Apolar_AMPFrac1_C30LCMS_pos_inj2.raw | DMA of D. magna (2022) | APOL_AMP_1_C30_MSM_POS | COMPOUND | 1 | D-CULT | D-APOL | D-AMP | 1 | D-C30 | 0 | D-LCMS | POSITIVE | COMPOUND_D-CULT_D-APOL_D-AMP_1_D-C30_0_D-LCMS_POSITIVE |
14 | MSM_Apolar_AMPFrac1_C30LCMS_pos_inj2.mzML | MSM_Apolar_AMPFrac1_C30LCMS_pos_inj2.mzML | DMA of D. magna (2022) | APOL_AMP_1_C30_MSM_POS | COMPOUND | 1 | D-CULT | D-APOL | D-AMP | 1 | D-C30 | 0 | D-LCMS | POSITIVE | COMPOUND_D-CULT_D-APOL_D-AMP_1_D-C30_0_D-LCMS_POSITIVE |
15 | MSM_Apolar_AMPFrac1_C30LCMS_pos_inj3.raw | MSM_Apolar_AMPFrac1_C30LCMS_pos_inj3.raw | DMA of D. magna (2022) | APOL_AMP_1_C30_MSM_POS | COMPOUND | 1 | D-CULT | D-APOL | D-AMP | 1 | D-C30 | 0 | D-LCMS | POSITIVE | COMPOUND_D-CULT_D-APOL_D-AMP_1_D-C30_0_D-LCMS_POSITIVE |
16 | MSM_Apolar_AMPFrac1_C30LCMS_pos_inj3.mzML | MSM_Apolar_AMPFrac1_C30LCMS_pos_inj3.mzML | DMA of D. magna (2022) | APOL_AMP_1_C30_MSM_POS | COMPOUND | 1 | D-CULT | D-APOL | D-AMP | 1 | D-C30 | 0 | D-LCMS | POSITIVE | COMPOUND_D-CULT_D-APOL_D-AMP_1_D-C30_0_D-LCMS_POSITIVE |
17 | MSM_Apolar_AMPFrac1_C30LCMSMS_COMBO_pos_inj1.raw | MSM_Apolar_AMPFrac1_C30LCMSMS_COMBO_pos_inj1.raw | DMA of D. magna (2022) | APOL_AMP_1_C30_MSM_POS | COMPOUND | 1 | D-CULT | D-APOL | D-AMP | 1 | D-C30 | 0 | D-LCMSMS | POSITIVE | COMPOUND_D-CULT_D-APOL_D-AMP_1_D-C30_0_D-LCMSMS_POSITIVE |
18 | MSM_Apolar_AMPFrac1_C30LCMSMS_COMBO_pos_inj1.mzML | MSM_Apolar_AMPFrac1_C30LCMSMS_COMBO_pos_inj1.mzML | DMA of D. magna (2022) | APOL_AMP_1_C30_MSM_POS | COMPOUND | 1 | D-CULT | D-APOL | D-AMP | 1 | D-C30 | 0 | D-LCMSMS | POSITIVE | COMPOUND_D-CULT_D-APOL_D-AMP_1_D-C30_0_D-LCMSMS_POSITIVE |
19 | MSM_Apolar_AMPFrac1_C30LCMSMS_COMBO_pos_inj2.raw | MSM_Apolar_AMPFrac1_C30LCMSMS_COMBO_pos_inj2.raw | DMA of D. magna (2022) | APOL_AMP_1_C30_MSM_POS | COMPOUND | 1 | D-CULT | D-APOL | D-AMP | 1 | D-C30 | 0 | D-LCMSMS | POSITIVE | COMPOUND_D-CULT_D-APOL_D-AMP_1_D-C30_0_D-LCMSMS_POSITIVE |
20 | MSM_Apolar_AMPFrac1_C30LCMSMS_COMBO_pos_inj2.mzML | MSM_Apolar_AMPFrac1_C30LCMSMS_COMBO_pos_inj2.mzML | DMA of D. magna (2022) | APOL_AMP_1_C30_MSM_POS | COMPOUND | 1 | D-CULT | D-APOL | D-AMP | 1 | D-C30 | 0 | D-LCMSMS | POSITIVE | COMPOUND_D-CULT_D-APOL_D-AMP_1_D-C30_0_D-LCMSMS_POSITIVE |
21 | A01_Apolar_Blank_AMP_1_C30_LCMS_Neg_DIMS.raw | A01_Apolar_Blank_AMP_1_C30_LCMS_Neg_DIMS.raw | DMA of D. magna (2022) | APOL_AMP_1_C30_NEG | BLANK | 1 | D-CULT | D-APOL | D-AMP | 1 | D-C30 | A01 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-APOL_D-AMP_1_D-C30_A01_D-DIMS_NEGATIVE |
22 | A01_Apolar_Blank_AMP_1_C30_LCMS_Neg_DIMS.mzML | A01_Apolar_Blank_AMP_1_C30_LCMS_Neg_DIMS.mzML | DMA of D. magna (2022) | APOL_AMP_1_C30_NEG | BLANK | 1 | D-CULT | D-APOL | D-AMP | 1 | D-C30 | A01 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-APOL_D-AMP_1_D-C30_A01_D-DIMS_NEGATIVE |
23 | A01_Apolar_Daph_AMP_1_C30_LCMS_Neg_DIMS_rerun2.raw | A01_Apolar_Daph_AMP_1_C30_LCMS_Neg_DIMS_rerun2.raw | DMA of D. magna (2022) | APOL_AMP_1_C30_NEG | DAPH | 1 | D-CULT | D-APOL | D-AMP | 1 | D-C30 | A01 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-APOL_D-AMP_1_D-C30_A01_D-DIMS_NEGATIVE |
24 | A01_Apolar_Daph_AMP_1_C30_LCMS_Neg_DIMS_rerun2.mzML | A01_Apolar_Daph_AMP_1_C30_LCMS_Neg_DIMS_rerun2.mzML | DMA of D. magna (2022) | APOL_AMP_1_C30_NEG | DAPH | 1 | D-CULT | D-APOL | D-AMP | 1 | D-C30 | A01 | D-DIMS | NEGATIVE | DAPH_D-CULT_D-APOL_D-AMP_1_D-C30_A01_D-DIMS_NEGATIVE |
25 | A02_Apolar_Blank_AMP_1_C30_LCMS_Neg_DIMS.raw | A02_Apolar_Blank_AMP_1_C30_LCMS_Neg_DIMS.raw | DMA of D. magna (2022) | APOL_AMP_1_C30_NEG | BLANK | 1 | D-CULT | D-APOL | D-AMP | 1 | D-C30 | A02 | D-DIMS | NEGATIVE | BLANK_D-CULT_D-APOL_D-AMP_1_D-C30_A02_D-DIMS_NEGATIVE |