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20240429_OG_Dataset6_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(1) Sulf(2)C32H57N1O31S21015.91791015.2356dHex(1) Hex(3) HexNAc(1) Sulf(2)1-1014.22831015.91791015.23563
Hex(1) HexNAc(1)C14H27N1O11385.3664385.1584Hex(1) HexNAc(1)1-384.1511385.3664385.15843
Hex(1) HexNAc(3)C30H53N3O21791.7538791.3172Hex(1) HexNAc(3)1-790.3099791.7538791.31723
HexNAc(2)C16H30N2O11426.4186426.1850HexNAc(2)1-425.1777426.4186426.18503
Hex(1) HexNAc(2)C22H40N2O16588.5601588.2378Hex(1) HexNAc(2)1-587.2305588.5601588.23783
Hex(1) Neu5Ac(1) HexNAc(1)C25H44N2O19676.6226676.2538Hex(1) Neu5Ac(1) HexNAc(1)1-675.2466676.6226676.25383
Hex(2) HexNAc(2) Sulf(2)C28H50N2O27S2910.8280910.2042Hex(2) HexNAc(2) Sulf(2)1-909.1970910.8280910.20423
Hex(2) HexNAc(2)C28H50N2O21750.7016750.2906Hex(2) HexNAc(2)1-749.2833750.7016750.29063
Hex(1) Neu5Gc(1) HexNAc(1) Sulf(1)C25H44N2O23S1772.6852772.2056Hex(1) Neu5Gc(1) HexNAc(1) Sulf(1)1-771.1983772.6852772.20563
Hex(1) HexNAc(2) Sulf(2)C22H40N2O22S2748.6865748.1514Hex(1) HexNAc(2) Sulf(2)1-747.1441748.6865748.15143
Hex(1) HexNAc(2) Sulf(1)C22H40N2O19S1668.6233668.1946Hex(1) HexNAc(2) Sulf(1)1-667.1873668.6233668.19463
Hex(1) Neu5Gc(1) HexNAc(1)C25H44N2O20692.6220692.2487Hex(1) Neu5Gc(1) HexNAc(1)1-691.2415692.6220692.24873
Hex(2) Neu5Gc(1) HexNAc(1) Sulf(2)C31H54N2O31S21014.88991014.2152Hex(2) Neu5Gc(1) HexNAc(1) Sulf(2)1-1013.20791014.88991014.21523
dHex(2) HexNAc(2)C28H50N2O19718.7028718.3008dHex(2) HexNAc(2)1-717.2935718.7028718.30083
Neu5Ac(1) Neu5Gc(1) HexNAc(1) Sulf(2)C30H51N3O29S2981.8631981.2050Neu5Ac(1) Neu5Gc(1) HexNAc(1) Sulf(2)1-980.1977981.8631981.20503
Hex(2) Neu5Ac(1) HexNAc(2)C39H67N3O291041.95781041.3860Hex(2) Neu5Ac(1) HexNAc(2)1-1040.37871041.95781041.38603
dHex(1) Hex(1) Neu5Gc(1) HexNAc(2)C39H67N3O291041.95781041.3860dHex(1) Hex(1) Neu5Gc(1) HexNAc(2)1-1040.37871041.95781041.38603
Hex(2) HexNAc(2) Sulf(1)C28H50N2O24S1830.7648830.2474Hex(2) HexNAc(2) Sulf(1)1-829.2401830.7648830.24743
Hex(1) Neu5Ac(2) HexNAc(1)C36H61N3O27967.8788967.3492Hex(1) Neu5Ac(2) HexNAc(1)1-966.3420967.8788967.34923
dHex(1) Neu5Ac(1) Neu5Gc(1) HexNAc(1)C36H61N3O27967.8788967.3492dHex(1) Neu5Ac(1) Neu5Gc(1) HexNAc(1)1-966.3420967.8788967.34923
Hex(1) Neu5Ac(1) HexNAc(2)C33H57N3O24879.8163879.3332Hex(1) Neu5Ac(1) HexNAc(2)1-878.3259879.8163879.33323
Hex(1) Neu5Ac(1) HexNAc(3)C41H70N4O291083.01011082.4126Hex(1) Neu5Ac(1) HexNAc(3)1-1081.40531083.01011082.41263
dHex(1) Neu5Ac(1) HexNAc(2) Sulf(2)C33H57N3O29S21023.94331023.2519dHex(1) Neu5Ac(1) HexNAc(2) Sulf(2)1-1022.24461023.94331023.25193
dHex(2) Hex(2) HexNAc(2)C40H70N2O291042.98581042.4064dHex(2) Hex(2) HexNAc(2)1-1041.39911042.98581042.40643
Hex(5) HexNAc(2)C46H80N2O361237.12611236.4491Hex(5) HexNAc(2)1-1235.44181237.12611236.44913
dHex(2) Neu5Ac(1) HexNAc(2)C39H67N3O271009.95901009.3962dHex(2) Neu5Ac(1) HexNAc(2)1-1008.38891009.95901009.39623
Hex(3) HexNAc(3)C42H73N3O311116.03681115.4228Hex(3) HexNAc(3)1-1114.41551116.03681115.42283
dHex(1) HexNAc(3) Sulf(2)C30H53N3O26S2935.8808935.2359dHex(1) HexNAc(3) Sulf(2)1-934.2286935.8808935.23593
Hex(1) Neu5Ac(1) HexNAc(2) Sulf(1)C33H57N3O27S1959.8795959.2900Hex(1) Neu5Ac(1) HexNAc(2) Sulf(1)1-958.2827959.8795959.29003
Hex(3) Neu5Ac(1) HexNAc(1) Sulf(1)C37H64N2O32S11080.96881080.3163Hex(3) Neu5Ac(1) HexNAc(1) Sulf(1)1-1079.30901080.96881080.31633
dHex(1) Neu5Ac(2) HexNAc(1) Sulf(2)C36H61N3O32S21112.00581111.2680dHex(1) Neu5Ac(2) HexNAc(1) Sulf(2)1-1110.26071112.00581111.26803
dHex(2) Hex(3) HexNAc(1) Sulf(1)C38H67N1O32S11081.99681081.3367dHex(2) Hex(3) HexNAc(1) Sulf(1)1-1080.32941081.99681081.33673
dHex(3) Neu5Ac(1) HexNAc(1) Sulf(2)C37H64N2O32S21113.03381112.2884dHex(3) Neu5Ac(1) HexNAc(1) Sulf(2)1-1111.28111113.03381112.28843
dHex(3) HexNAc(2) Sulf(2)C34H60N2O29S21024.97131024.2723dHex(3) HexNAc(2) Sulf(2)1-1023.26501024.97131024.27233
Hex(3) Neu5Ac(1) HexNAc(3)C53H90N4O391407.29301406.5182Hex(3) Neu5Ac(1) HexNAc(3)1-1405.51091407.29301406.51823
Neu5Ac(1) HexNAc(5) Sulf(1)C51H86N6O37S11407.31921406.4753Neu5Ac(1) HexNAc(5) Sulf(1)1-1405.46801407.31921406.47533
dHex(1) Neu5Ac(2) HexNAc(2) Sulf(1)C44H74N4O34S11235.13641234.3905dHex(1) Neu5Ac(2) HexNAc(2) Sulf(1)1-1233.38321235.13641234.39053
dHex(1) Neu5Ac(1) HexNAc(2) Sulf(1)C33H57N3O26S1943.8801943.2951dHex(1) Neu5Ac(1) HexNAc(2) Sulf(1)1-942.2878943.8801943.29513
Hex(2) Neu5Ac(1) HexNAc(2) Sulf(1)C39H67N3O32S11122.02101121.3428Hex(2) Neu5Ac(1) HexNAc(2) Sulf(1)1-1120.33561122.02101121.34283
dHex(1) Hex(1) Neu5Gc(1) HexNAc(2) Sulf(1)C39H67N3O32S11122.02101121.3428dHex(1) Hex(1) Neu5Gc(1) HexNAc(2) Sulf(1)1-1120.33561122.02101121.34283
dHex(3) HexNAc(2) Sulf(1)C34H60N2O26S1944.9081944.3155dHex(3) HexNAc(2) Sulf(1)1-943.3082944.9081944.31553
dHex(1) HexNAc(2) Sulf(1)C22H40N2O18S1652.6239652.1997dHex(1) HexNAc(2) Sulf(1)1-651.1924652.6239652.19973
dHex(2) Hex(3) HexNAc(1) Sulf(2)C38H67N1O35S21162.06001161.2935dHex(2) Hex(3) HexNAc(1) Sulf(2)1-1160.28621162.06001161.29353
Hex(3) Neu5Ac(1) HexNAc(1) Sulf(2)C37H64N2O35S21161.03201160.2731Hex(3) Neu5Ac(1) HexNAc(1) Sulf(2)1-1159.26581161.03201160.27313
dHex(2) Hex(2) Neu5Ac(1) HexNAc(1)C43H74N2O321131.04831130.4225dHex(2) Hex(2) Neu5Ac(1) HexNAc(1)1-1129.41521131.04831130.42253
dHex(1) Neu5Ac(2) HexNAc(1)C36H61N3O26951.8794951.3543dHex(1) Neu5Ac(2) HexNAc(1)1-950.3471951.8794951.35433
dHex(3) Neu5Ac(1) HexNAc(2) Sulf(1)C45H77N3O34S11236.16431235.4109dHex(3) Neu5Ac(1) HexNAc(2) Sulf(1)1-1234.40361236.16431235.41093
Hex(4) HexNAc(4)C56H96N4O411481.37201480.5550Hex(4) HexNAc(4)1-1479.54771481.37201480.55503
Hex(1) HexNAc(6) Sulf(1)C54H92N6O39S11481.39821480.5121Hex(1) HexNAc(6) Sulf(1)1-1479.50481481.39821480.51213
dHex(1) Hex(1) Neu5Ac(1) HexNAc(2) Sulf(2)C39H67N3O34S21186.08481185.3047dHex(1) Hex(1) Neu5Ac(1) HexNAc(2) Sulf(2)1-1184.29751186.08481185.30473
Hex(2) Neu5Ac(2) HexNAc(2)C50H84N4O371333.21411332.4814Hex(2) Neu5Ac(2) HexNAc(2)1-1331.47421333.21411332.48143
dHex(2) Hex(2) Neu5Ac(1) HexNAc(2)C51H87N3O371334.24201333.5018dHex(2) Hex(2) Neu5Ac(1) HexNAc(2)1-1332.49461334.24201333.50183
dHex(1) Hex(3) HexNAc(1)C32H57N1O25855.7915855.3220dHex(1) Hex(3) HexNAc(1)1-854.3147855.7915855.32203
dHex(1) HexNAc(3) Sulf(1)C30H53N3O23S1855.8176855.2791dHex(1) HexNAc(3) Sulf(1)1-854.2718855.8176855.27913
dHex(2) Hex(3) HexNAc(3)C54H93N3O391408.32101407.5386dHex(2) Hex(3) HexNAc(3)1-1406.53131408.32101407.53863
dHex(2) HexNAc(5) Sulf(1)C52H89N5O37S11408.34721407.4957dHex(2) HexNAc(5) Sulf(1)1-1406.48841408.34721407.49573
dHex(1) HexNAc(2) Sulf(2)C22H40N2O21S2732.6871732.1565dHex(1) HexNAc(2) Sulf(2)1-731.1492732.6871732.15653
Neu5Ac(2) HexNAc(1) Sulf(1)C30H51N3O25S1885.8005885.2532Neu5Ac(2) HexNAc(1) Sulf(1)1-884.2460885.8005885.25323
dHex(2) Hex(2) Neu5Ac(1) HexNAc(1) Sulf(2)C43H74N2O38S21291.17471290.3361dHex(2) Hex(2) Neu5Ac(1) HexNAc(1) Sulf(2)1-1289.32881291.17471290.33613
dHex(1) Neu5Ac(2) HexNAc(2) Sulf(2)C44H74N4O37S21315.19961314.3473dHex(1) Neu5Ac(2) HexNAc(2) Sulf(2)1-1313.34011315.19961314.34733
dHex(3) Neu5Ac(1) HexNAc(2) Sulf(2)C45H77N3O37S21316.22751315.3677dHex(3) Neu5Ac(1) HexNAc(2) Sulf(2)1-1314.36051316.22751315.36773
dHex(1) Hex(4) Neu5Ac(1) HexNAc(1) Sulf(1)C49H84N2O41S11389.25241388.4270dHex(1) Hex(4) Neu5Ac(1) HexNAc(1) Sulf(1)1-1387.41971389.25241388.42703
dHex(1) Hex(1) Neu5Ac(1) HexNAc(3) Sulf(2)C47H80N4O39S21389.27851388.3841dHex(1) Hex(1) Neu5Ac(1) HexNAc(3) Sulf(2)1-1387.37681389.27851388.38413
dHex(2) Neu5Ac(3) HexNAc(1)C53H88N4O381389.27781388.5077dHex(2) Neu5Ac(3) HexNAc(1)1-1387.50041389.27781388.50773
dHex(3) Hex(1) HexNAc(2) Sulf(2)C40H70N2O34S21187.11281186.3251dHex(3) Hex(1) HexNAc(2) Sulf(2)1-1185.31791187.11281186.32513
Hex(2) Neu5Ac(2) HexNAc(2) Sulf(1)C50H84N4O40S11413.27731412.4383Hex(2) Neu5Ac(2) HexNAc(2) Sulf(1)1-1411.43101413.27731412.43833
Hex(4) HexNAc(1) Sulf(2)C32H57N1O32S21031.91731031.2305Hex(4) HexNAc(1) Sulf(2)1-1030.22321031.91731031.23053
dHex(1) Neu5Ac(2) HexNAc(1) Sulf(1)C36H61N3O29S11031.94261031.3111dHex(1) Neu5Ac(2) HexNAc(1) Sulf(1)1-1030.30391031.94261031.31113
dHex(2) Neu5Ac(1) HexNAc(2) Sulf(2)C39H67N3O33S21170.08541169.3098dHex(2) Neu5Ac(1) HexNAc(2) Sulf(2)1-1168.30251170.08541169.30983
Hex(4) Neu5Ac(1) HexNAc(4)C67H113N5O491772.62831771.6504Hex(4) Neu5Ac(1) HexNAc(4)1-1770.64311772.62831771.65043
Hex(1) Neu5Ac(1) HexNAc(6) Sulf(1)C65H109N7O47S11772.65441771.6075Hex(1) Neu5Ac(1) HexNAc(6) Sulf(1)1-1770.60021772.65441771.60753
dHex(2) Hex(4) HexNAc(4)C68H116N4O491773.65621772.6708dHex(2) Hex(4) HexNAc(4)1-1771.66351773.65621772.67083
dHex(2) Hex(1) HexNAc(6) Sulf(1)C66H112N6O47S11773.68241772.6279dHex(2) Hex(1) HexNAc(6) Sulf(1)1-1771.62061773.68241772.62793
Hex(3) Neu5Ac(2) HexNAc(3)C64H107N5O471698.54931697.6136Hex(3) Neu5Ac(2) HexNAc(3)1-1696.60641698.54931697.61363
Neu5Ac(2) HexNAc(5) Sulf(1)C62H103N7O45S11698.57541697.5707Neu5Ac(2) HexNAc(5) Sulf(1)1-1696.56351698.57541697.57073
dHex(2) Hex(3) Neu5Ac(1) HexNAc(3)C65H110N4O471699.57731698.6340dHex(2) Hex(3) Neu5Ac(1) HexNAc(3)1-1697.62681699.57731698.63403
dHex(2) Neu5Ac(1) HexNAc(5) Sulf(1)C63H106N6O45S11699.60341698.5911dHex(2) Neu5Ac(1) HexNAc(5) Sulf(1)1-1697.58391699.60341698.59113
dHex(2) Hex(1) HexNAc(2)C34H60N2O24880.8443880.3536dHex(2) Hex(1) HexNAc(2)1-879.3463880.8443880.35363
dHex(3) HexNAc(2)C34H60N2O23864.8449864.3587dHex(3) HexNAc(2)1-863.3514864.8449864.35873
Hex(3) HexNAc(4) Sulf(1)C50H86N4O39S11399.29371398.4590Hex(3) HexNAc(4) Sulf(1)1-1397.45171399.29371398.45903