MALDISkyLink_Permeth_Eval.sky.zip: /BIDMC - Glycomics Core/MALDISkyLink_ProofOfConcept

MALDISkyLink_Permeth_Eval.sky.zip

MALDISkyLink_ProofOfConcept

Document Summary

MALDISkyLink_Permeth_Eval.sky.zip 1 version

2 molecule lists, 10 small molecules, 10 precursors, 28 transitions - 5 replicates - Skyline-daily (64-bit) 24.1.1.284 (bc93c2813)

Small Molecule Precursor List

Molecule List Note/Annotations

Fully permethylated comparison

Molecule Sort Ascending Sort Descending Clear Sort Filter... Clear Filter Remove Column Summary Statistics... Bar Chart Pie Chart Quick Chart	Ion Formula Sort Ascending Sort Descending Clear Sort Filter... Clear Filter Remove Column Summary Statistics... Bar Chart Pie Chart Quick Chart	Molecule Note/Annotations	Mass Average Sort Ascending Sort Descending Clear Sort Filter... Clear Filter Remove Column Summary Statistics... Box & Whisker Quick Chart	Mass Monoisotopic Sort Ascending Sort Descending Clear Sort Filter... Clear Filter Remove Column Summary Statistics... Box & Whisker Quick Chart	Precursor Sort Ascending Sort Descending Clear Sort Filter... Clear Filter Remove Column Summary Statistics... Bar Chart Pie Chart Quick Chart	Precursor Note/Annotations	Q1 Z Sort Ascending Sort Descending Clear Sort Filter... Clear Filter Remove Column Summary Statistics... Box & Whisker Quick Chart	Q1 m/z Sort Ascending Sort Descending Clear Sort Filter... Clear Filter Remove Column Summary Statistics... Box & Whisker Quick Chart	Mass Average Sort Ascending Sort Descending Clear Sort Filter... Clear Filter Remove Column Summary Statistics... Box & Whisker Quick Chart	Mass Monoisotopic Sort Ascending Sort Descending Clear Sort Filter... Clear Filter Remove Column Summary Statistics... Box & Whisker Quick Chart	Transition Count Sort Ascending Sort Descending Clear Sort Filter... Clear Filter Remove Column Summary Statistics... Box & Whisker Quick Chart
(Hex)6 (HexNAc)5	C111H197N5O56	Keep for permeth	2497.7684	2496.2721	(Hex)6 (HexNAc)5		1+	2519.2613	2497.7684	2496.2721	3
(Hex)5 (HexNAc)2	C69H124N2O36	Keep	1557.7250	1556.7934	(Hex)5 (HexNAc)2		1+	1579.7826	1557.7250	1556.7934	3
(Hex)5 (NeuAc)2 (HexNAc)4	C123H216N6O62	Keep for permeth comp	2771.0526	2769.3934	(Hex)5 (NeuAc)2 (HexNAc)4		1+	2792.3826	2771.0526	2769.3934	2
(dHex)1 (Hex)4 (HexNAc)4	C90H160N4O45	Keep	2018.2467	2017.0355	(dHex)1 (Hex)4 (HexNAc)4		1+	2040.0247	2018.2467	2017.0355	3
(dHex)1 (Hex)3 (HexNAc)4	C81H144N4O40	Keep	1814.0250	1812.9357	(dHex)1 (Hex)3 (HexNAc)4		1+	1835.9249	1814.0250	1812.9357	3

Underpermethylated comparison

Molecule Sort Ascending Sort Descending Clear Sort Filter... Clear Filter Remove Column Summary Statistics... Bar Chart Pie Chart Quick Chart	Ion Formula Sort Ascending Sort Descending Clear Sort Filter... Clear Filter Remove Column Summary Statistics... Bar Chart Pie Chart Quick Chart	Molecule Note/Annotations	Mass Average Sort Ascending Sort Descending Clear Sort Filter... Clear Filter Remove Column Summary Statistics... Box & Whisker Quick Chart	Mass Monoisotopic Sort Ascending Sort Descending Clear Sort Filter... Clear Filter Remove Column Summary Statistics... Box & Whisker Quick Chart	Precursor Sort Ascending Sort Descending Clear Sort Filter... Clear Filter Remove Column Summary Statistics... Bar Chart Pie Chart Quick Chart	Precursor Note/Annotations	Q1 Z Sort Ascending Sort Descending Clear Sort Filter... Clear Filter Remove Column Summary Statistics... Box & Whisker Quick Chart	Q1 m/z Sort Ascending Sort Descending Clear Sort Filter... Clear Filter Remove Column Summary Statistics... Box & Whisker Quick Chart	Mass Average Sort Ascending Sort Descending Clear Sort Filter... Clear Filter Remove Column Summary Statistics... Box & Whisker Quick Chart	Mass Monoisotopic Sort Ascending Sort Descending Clear Sort Filter... Clear Filter Remove Column Summary Statistics... Box & Whisker Quick Chart	Transition Count Sort Ascending Sort Descending Clear Sort Filter... Clear Filter Remove Column Summary Statistics... Box & Whisker Quick Chart
(Hex)6 (HexNAc)5	C110H195N5O56		2483.7417	2482.2565	(Hex)6 (HexNAc)5		1+	2505.2457	2483.7417	2482.2565	3
(Hex)5 (HexNAc)2	C68H122N2O36		1543.6983	1542.7777	(Hex)5 (HexNAc)2		1+	1565.7669	1543.6983	1542.7777	3
(Hex)5 (NeuAc)2 (HexNAc)4	C122H214N6O62		2757.0259	2755.3777	(Hex)5 (NeuAc)2 (HexNAc)4		1+	2778.3669	2757.0259	2755.3777	2
(dHex)1 (Hex)4 (HexNAc)4	C89H158N4O45		2004.2200	2003.0198	(dHex)1 (Hex)4 (HexNAc)4		1+	2026.0090	2004.2200	2003.0198	3
(dHex)1 (Hex)3 (HexNAc)4	C80H142N4O40		1799.9983	1798.9200	(dHex)1 (Hex)3 (HexNAc)4		1+	1821.9093	1799.9983	1798.9200	3