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20240429_GSL_Dataset5_filtered.sky.zip

GlyCombo

Document Summary

 

Small Molecule Precursor List

 
Molecule List Note/Annotations
 
GlyCombo 
Molecule Note/Annotations
Precursor Note/Annotations
dHex(1) Hex(3) HexNAc(2)C40H70N2O301058.98521058.4013dHex(1) Hex(3) HexNAc(2)1-1057.39411058.98521058.40133
dHex(3) Hex(4) Neu5Ac(2) HexNAc(2)C80H134N4O592095.92342094.7608dHex(3) Hex(4) Neu5Ac(2) HexNAc(2)2-1046.37312095.92342094.76083
dHex(1) Hex(3)C24H44O20652.5978652.2426dHex(1) Hex(3)1-651.2353652.5978652.24263
dHex(3) Hex(6) Neu5Ac(3) Neu5Gc(1) HexNAc(4)C130H214N8O963425.10573423.2110dHex(3) Hex(6) Neu5Ac(3) Neu5Gc(1) HexNAc(4)3-1140.06303425.10573423.21103
dHex(1) Hex(5) Neu5Ac(1) HexNAc(3)C71H120N4O531877.71811876.6818dHex(1) Hex(5) Neu5Ac(1) HexNAc(3)2-937.33361877.71811876.68183
Hex(4) Neu5Gc(1) HexNAc(1)C43H74N2O351179.04651178.4072Hex(4) Neu5Gc(1) HexNAc(1)1-1177.39991179.04651178.40723
Hex(5) Neu5Ac(1)C41H71N1O341121.99491121.3857Hex(5) Neu5Ac(1)1-1120.37851121.99491121.38573
Hex(4) Neu5Gc(1) HexNAc(2)C51H87N3O401382.24021381.4866Hex(4) Neu5Gc(1) HexNAc(2)1-1380.47931382.24021381.48663
dHex(1) Hex(5) Neu5Ac(5) HexNAc(3)C115H188N8O853042.74313041.0634dHex(1) Hex(5) Neu5Ac(5) HexNAc(3)3-1012.68053042.74313041.06343
Hex(4) HexNAc(2)C40H70N2O311074.98461074.3963Hex(4) HexNAc(2)1-1073.38901074.98461074.39633
dHex(1) Hex(4) Neu5Ac(1) HexNAc(2)C57H97N3O431512.38291511.5496dHex(1) Hex(4) Neu5Ac(1) HexNAc(2)1-1510.54231512.38291511.54963
dHex(1) Hex(4) Neu5Ac(1) HexNAc(2)C57H97N3O431512.38291511.5496dHex(1) Hex(4) Neu5Ac(1) HexNAc(2)2-754.76751512.38291511.54963
Hex(4) HexNAc(1)C32H57N1O26871.7909871.3169Hex(4) HexNAc(1)1-870.3096871.7909871.31693
dHex(1) Hex(3) Neu5Ac(1) HexNAc(2)C51H87N3O381350.24141349.4968dHex(1) Hex(3) Neu5Ac(1) HexNAc(2)1-1348.48951350.24141349.49683
Hex(2) Neu5Ac(1) HexNAc(1)C31H54N2O24838.7641838.3067Hex(2) Neu5Ac(1) HexNAc(1)1-837.2994838.7641838.30673
Hex(3) Neu5Ac(2) HexNAc(1)C48H81N3O371292.16181291.4549Hex(3) Neu5Ac(2) HexNAc(1)1-1290.44761292.16181291.45493
Hex(3) Neu5Gc(1) HexNAc(1)C37H64N2O301016.90501016.3544Hex(3) Neu5Gc(1) HexNAc(1)1-1015.34711016.90501016.35443
Hex(5) Neu5Ac(1) Neu5Gc(1) HexNAc(4)C84H140N6O632242.02542240.7936Hex(5) Neu5Ac(1) Neu5Gc(1) HexNAc(4)2-1119.38952242.02542240.79363
dHex(2) Hex(3) HexNAc(1)C38H67N1O291001.93361001.3799dHex(2) Hex(3) HexNAc(1)1-1000.37261001.93361001.37993
Hex(3) Neu5Ac(1) HexNAc(1)C37H64N2O291000.90561000.3595Hex(3) Neu5Ac(1) HexNAc(1)1-999.35221000.90561000.35953
dHex(1) Hex(2) Neu5Gc(1) HexNAc(1)C37H64N2O291000.90561000.3595dHex(1) Hex(2) Neu5Gc(1) HexNAc(1)1-999.35221000.90561000.35953
Hex(3)C18H34O16506.4557506.1847Hex(3)1-505.1774506.4557506.18473
dHex(2) Hex(3) Neu5Ac(2) HexNAc(1)C60H101N3O451584.44601583.5707dHex(2) Hex(3) Neu5Ac(2) HexNAc(1)2-790.77811584.44601583.57073
Hex(3) Neu5Ac(3) HexNAc(1)C59H98N4O451583.41811582.5503Hex(3) Neu5Ac(3) HexNAc(1)2-790.26791583.41811582.55033
dHex(3) Hex(6) Neu5Ac(1) HexNAc(1)C73H124N2O561925.75641924.6917dHex(3) Hex(6) Neu5Ac(1) HexNAc(1)2-961.33861925.75641924.69173
dHex(1) Hex(3) Neu5Ac(1) HexNAc(1)C43H74N2O331147.04771146.4174dHex(1) Hex(3) Neu5Ac(1) HexNAc(1)1-1145.41011147.04771146.41743
Hex(3) HexNAc(1)C26H47N1O21709.6494709.2641Hex(3) HexNAc(1)1-708.2568709.6494709.26413
Hex(3) Neu5Ac(3) Neu5Gc(1)C62H102N4O491687.48001686.5613Hex(3) Neu5Ac(3) Neu5Gc(1)2-842.27341687.48001686.56133
dHex(1) Hex(3) Neu5Ac(1)C35H61N1O28943.8540943.3380dHex(1) Hex(3) Neu5Ac(1)1-942.3307943.8540943.33803
Hex(2) Neu5Ac(2)C34H58N2O27926.8266926.3227Hex(2) Neu5Ac(2)1-925.3154926.8266926.32273
dHex(2) Hex(4) HexNAc(2)C52H90N2O391367.26881366.5121dHex(2) Hex(4) HexNAc(2)1-1365.50481367.26881366.51213
Hex(4) Neu5Ac(1) HexNAc(2)C51H87N3O391366.24081365.4917Hex(4) Neu5Ac(1) HexNAc(2)1-1364.48441366.24081365.49173
Hex(4) Neu5Ac(1) HexNAc(2)C51H87N3O391366.24081365.4917Hex(4) Neu5Ac(1) HexNAc(2)2-681.73861366.24081365.49173
dHex(1) Hex(3) HexNAc(1)C32H57N1O25855.7915855.3220dHex(1) Hex(3) HexNAc(1)1-854.3147855.7915855.32203
Hex(2) Neu5Gc(1)C23H41N1O20651.5698651.2222Hex(2) Neu5Gc(1)1-650.2149651.5698651.22223
Hex(2) Neu5Ac(1)C23H41N1O19635.5704635.2273Hex(2) Neu5Ac(1)1-634.2200635.5704635.22733
Hex(3) Neu5Ac(1) Neu5Gc(1)C40H68N2O331104.96751104.3704Hex(3) Neu5Ac(1) Neu5Gc(1)1-1103.36321104.96751104.37043
dHex(1) Hex(4) Neu5Ac(1)C41H71N1O331105.99551105.3908dHex(1) Hex(4) Neu5Ac(1)1-1104.38361105.99551105.39083
Hex(4) Neu5Ac(1)C35H61N1O29959.8534959.3329Hex(4) Neu5Ac(1)1-958.3256959.8534959.33293
dHex(1) Hex(4) HexNAc(2)C46H80N2O351221.12671220.4542dHex(1) Hex(4) HexNAc(2)1-1219.44691221.12671220.45423
dHex(3) Hex(5) Neu5Ac(1) HexNAc(3)C83H140N4O612170.00242168.7976dHex(3) Hex(5) Neu5Ac(1) HexNAc(3)2-1083.39152170.00242168.79763
dHex(3) Hex(4) HexNAc(2)C58H100N2O431513.41091512.5700dHex(3) Hex(4) HexNAc(2)1-1511.56271513.41091512.57003
dHex(3) Hex(4) HexNAc(2)C58H100N2O431513.41091512.5700dHex(3) Hex(4) HexNAc(2)2-755.27771513.41091512.57003
Hex(4) Neu5Ac(2)C46H78N2O371251.10961250.4283Hex(4) Neu5Ac(2)1-1249.42111251.10961250.42833
dHex(2) Hex(5) Neu5Ac(1) HexNAc(1)C61H104N2O471617.47281616.5809dHex(2) Hex(5) Neu5Ac(1) HexNAc(1)1-1615.57371617.47281616.58093
Hex(5) Neu5Ac(1) HexNAc(1)C49H84N2O391325.18861324.4651Hex(5) Neu5Ac(1) HexNAc(1)1-1323.45781325.18861324.46513
dHex(1) Hex(5) Neu5Ac(1)C47H81N1O381268.13701267.4437dHex(1) Hex(5) Neu5Ac(1)1-1266.43641268.13701267.44373
dHex(1) Hex(5) Neu5Ac(1) HexNAc(1)C55H94N2O431471.33071470.5230dHex(1) Hex(5) Neu5Ac(1) HexNAc(1)1-1469.51581471.33071470.52303
dHex(2) Hex(6) Neu5Ac(1) HexNAc(4)C91H153N5O672389.19552387.8719dHex(2) Hex(6) Neu5Ac(1) HexNAc(4)2-1192.92872389.19552387.87193
dHex(3) Hex(5) HexNAc(3)C72H123N3O531878.74611877.7022dHex(3) Hex(5) HexNAc(3)1-1876.69491878.74611877.70223
dHex(2) Hex(4) Neu5Ac(4) HexNAc(3)C104H171N7O762735.48742733.9731dHex(2) Hex(4) Neu5Ac(4) HexNAc(3)2-1365.97932735.48742733.97313
dHex(1) Hex(5) HexNAc(3)C60H103N3O451586.46191585.5864dHex(1) Hex(5) HexNAc(3)1-1584.57911586.46191585.58643
dHex(1) Hex(5) HexNAc(3)C60H103N3O451586.46191585.5864dHex(1) Hex(5) HexNAc(3)2-791.78591586.46191585.58643
Hex(2) Neu5Ac(1) HexNAc(2)C39H67N3O291041.95781041.3860Hex(2) Neu5Ac(1) HexNAc(2)1-1040.37871041.95781041.38603
dHex(1) Hex(6) Neu5Ac(1) HexNAc(2)C69H117N3O531836.66591835.6552dHex(1) Hex(6) Neu5Ac(1) HexNAc(2)2-916.82031836.66591835.65523
Hex(5) HexNAc(2)C46H80N2O361237.12611236.4491Hex(5) HexNAc(2)1-1235.44181237.12611236.44913
dHex(3) Hex(6) HexNAc(4)C86H146N4O632244.08132242.8344dHex(3) Hex(6) HexNAc(4)2-1120.40992244.08132242.83443
dHex(3) Hex(4) Neu5Ac(5) Neu5Gc(1) HexNAc(3)C132H215N9O973480.14143478.2168dHex(3) Hex(4) Neu5Ac(5) Neu5Gc(1) HexNAc(3)3-1158.39833480.14143478.21683
dHex(1) Hex(6) Neu5Ac(1) HexNAc(4)C85H143N5O632243.05342241.8140dHex(1) Hex(6) Neu5Ac(1) HexNAc(4)2-1119.89972243.05342241.81403
dHex(3) Hex(3) Neu5Ac(3) HexNAc(2)C85H141N5O622225.03812223.8034dHex(3) Hex(3) Neu5Ac(3) HexNAc(2)2-1110.89442225.03812223.80343
Hex(5) HexNAc(3)C54H93N3O411440.31981439.5285Hex(5) HexNAc(3)2-718.75691440.31981439.52853
dHex(1) Hex(6) HexNAc(1)C50H87N1O401342.21601341.4804dHex(1) Hex(6) HexNAc(1)1-1340.47321342.21601341.48043
Hex(4) Neu5Ac(1) Neu5Gc(1) HexNAc(1)C54H91N3O431470.30271469.5026Hex(4) Neu5Ac(1) Neu5Gc(1) HexNAc(1)1-1468.49541470.30271469.50263
Hex(4) Neu5Ac(4) Neu5Gc(1)C79H129N5O622140.87772139.7095Hex(4) Neu5Ac(4) Neu5Gc(1)2-1068.84752140.87772139.70953
dHex(2) Hex(5) HexNAc(3)C66H113N3O491732.60401731.6443dHex(2) Hex(5) HexNAc(3)1-1730.63701732.60401731.64433
dHex(2) Hex(5) HexNAc(3)C66H113N3O491732.60401731.6443dHex(2) Hex(5) HexNAc(3)2-864.81491732.60401731.64433
Hex(5) Neu5Ac(1) HexNAc(3)C65H110N4O491731.57601730.6239Hex(5) Neu5Ac(1) HexNAc(3)1-1729.61661731.57601730.62393
Hex(5) Neu5Ac(1) HexNAc(3)C65H110N4O491731.57601730.6239Hex(5) Neu5Ac(1) HexNAc(3)2-864.30471731.57601730.62393
Hex(6) Neu5Ac(3) Neu5Gc(1) HexNAc(2)C96H158N6O742580.29192578.8785Hex(6) Neu5Ac(3) Neu5Gc(1) HexNAc(2)2-1288.43202580.29192578.87853
dHex(1) Hex(5) Neu5Ac(2) HexNAc(1)C66H111N3O511762.58691761.6184dHex(1) Hex(5) Neu5Ac(2) HexNAc(1)2-879.80191762.58691761.61843
dHex(3) Hex(3) Neu5Ac(4)C80H132N4O602109.90692108.7401dHex(3) Hex(3) Neu5Ac(4)2-1053.36282109.90692108.74013
dHex(1) Hex(2) Neu5Ac(1) HexNAc(3)C53H90N4O381391.29371390.5233dHex(1) Hex(2) Neu5Ac(1) HexNAc(3)2-694.25441391.29371390.52333
Hex(4) Neu5Ac(1) HexNAc(1)C43H74N2O341163.04711162.4123Hex(4) Neu5Ac(1) HexNAc(1)1-1161.40501163.04711162.41233
dHex(1) Hex(3) Neu5Ac(5)C79H129N5O602108.87892107.7197dHex(1) Hex(3) Neu5Ac(5)2-1052.85262108.87892107.71973
Hex(2) HexNAc(1)C20H37N1O16547.5079547.2112Hex(2) HexNAc(1)1-546.2040547.5079547.21123
dHex(2) Hex(4) Neu5Ac(4) HexNAc(4)C112H184N8O812938.68122937.0525dHex(2) Hex(4) Neu5Ac(4) HexNAc(4)3-978.01022938.68122937.05253
Hex(6) Neu5Ac(2) Neu5Gc(1)C69H115N3O561882.64821881.6243Hex(6) Neu5Ac(2) Neu5Gc(1)2-939.80491882.64821881.62433