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20240429_OG_Dataset6_filtered.sky.zip
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20240429_OG_Dataset6_filtered.sky.zip
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1 version
1 molecule list
,
80 small molecules
,
80 precursors
,
240 transitions
-
1 replicate
- Skyline-daily (64-bit) 23.1.1.459 (f9dd888b9)
Small Molecule Precursor List
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dHex(1) Hex(3) HexNAc(1) Sulf(2)
C32H57N1O31S2
1015.9179
1015.2356
dHex(1) Hex(3) HexNAc(1) Sulf(2)
1-
1014.2283
1015.9179
1015.2356
3
Hex(1) HexNAc(1)
C14H27N1O11
385.3664
385.1584
Hex(1) HexNAc(1)
1-
384.1511
385.3664
385.1584
3
Hex(1) HexNAc(3)
C30H53N3O21
791.7538
791.3172
Hex(1) HexNAc(3)
1-
790.3099
791.7538
791.3172
3
HexNAc(2)
C16H30N2O11
426.4186
426.1850
HexNAc(2)
1-
425.1777
426.4186
426.1850
3
Hex(1) HexNAc(2)
C22H40N2O16
588.5601
588.2378
Hex(1) HexNAc(2)
1-
587.2305
588.5601
588.2378
3
Hex(1) Neu5Ac(1) HexNAc(1)
C25H44N2O19
676.6226
676.2538
Hex(1) Neu5Ac(1) HexNAc(1)
1-
675.2466
676.6226
676.2538
3
Hex(2) HexNAc(2) Sulf(2)
C28H50N2O27S2
910.8280
910.2042
Hex(2) HexNAc(2) Sulf(2)
1-
909.1970
910.8280
910.2042
3
Hex(2) HexNAc(2)
C28H50N2O21
750.7016
750.2906
Hex(2) HexNAc(2)
1-
749.2833
750.7016
750.2906
3
Hex(1) Neu5Gc(1) HexNAc(1) Sulf(1)
C25H44N2O23S1
772.6852
772.2056
Hex(1) Neu5Gc(1) HexNAc(1) Sulf(1)
1-
771.1983
772.6852
772.2056
3
Hex(1) HexNAc(2) Sulf(2)
C22H40N2O22S2
748.6865
748.1514
Hex(1) HexNAc(2) Sulf(2)
1-
747.1441
748.6865
748.1514
3
Hex(1) HexNAc(2) Sulf(1)
C22H40N2O19S1
668.6233
668.1946
Hex(1) HexNAc(2) Sulf(1)
1-
667.1873
668.6233
668.1946
3
Hex(1) Neu5Gc(1) HexNAc(1)
C25H44N2O20
692.6220
692.2487
Hex(1) Neu5Gc(1) HexNAc(1)
1-
691.2415
692.6220
692.2487
3
Hex(2) Neu5Gc(1) HexNAc(1) Sulf(2)
C31H54N2O31S2
1014.8899
1014.2152
Hex(2) Neu5Gc(1) HexNAc(1) Sulf(2)
1-
1013.2079
1014.8899
1014.2152
3
dHex(2) HexNAc(2)
C28H50N2O19
718.7028
718.3008
dHex(2) HexNAc(2)
1-
717.2935
718.7028
718.3008
3
Neu5Ac(1) Neu5Gc(1) HexNAc(1) Sulf(2)
C30H51N3O29S2
981.8631
981.2050
Neu5Ac(1) Neu5Gc(1) HexNAc(1) Sulf(2)
1-
980.1977
981.8631
981.2050
3
Hex(2) Neu5Ac(1) HexNAc(2)
C39H67N3O29
1041.9578
1041.3860
Hex(2) Neu5Ac(1) HexNAc(2)
1-
1040.3787
1041.9578
1041.3860
3
dHex(1) Hex(1) Neu5Gc(1) HexNAc(2)
C39H67N3O29
1041.9578
1041.3860
dHex(1) Hex(1) Neu5Gc(1) HexNAc(2)
1-
1040.3787
1041.9578
1041.3860
3
Hex(2) HexNAc(2) Sulf(1)
C28H50N2O24S1
830.7648
830.2474
Hex(2) HexNAc(2) Sulf(1)
1-
829.2401
830.7648
830.2474
3
Hex(1) Neu5Ac(2) HexNAc(1)
C36H61N3O27
967.8788
967.3492
Hex(1) Neu5Ac(2) HexNAc(1)
1-
966.3420
967.8788
967.3492
3
dHex(1) Neu5Ac(1) Neu5Gc(1) HexNAc(1)
C36H61N3O27
967.8788
967.3492
dHex(1) Neu5Ac(1) Neu5Gc(1) HexNAc(1)
1-
966.3420
967.8788
967.3492
3
Hex(1) Neu5Ac(1) HexNAc(2)
C33H57N3O24
879.8163
879.3332
Hex(1) Neu5Ac(1) HexNAc(2)
1-
878.3259
879.8163
879.3332
3
Hex(1) Neu5Ac(1) HexNAc(3)
C41H70N4O29
1083.0101
1082.4126
Hex(1) Neu5Ac(1) HexNAc(3)
1-
1081.4053
1083.0101
1082.4126
3
dHex(1) Neu5Ac(1) HexNAc(2) Sulf(2)
C33H57N3O29S2
1023.9433
1023.2519
dHex(1) Neu5Ac(1) HexNAc(2) Sulf(2)
1-
1022.2446
1023.9433
1023.2519
3
dHex(2) Hex(2) HexNAc(2)
C40H70N2O29
1042.9858
1042.4064
dHex(2) Hex(2) HexNAc(2)
1-
1041.3991
1042.9858
1042.4064
3
Hex(5) HexNAc(2)
C46H80N2O36
1237.1261
1236.4491
Hex(5) HexNAc(2)
1-
1235.4418
1237.1261
1236.4491
3
dHex(2) Neu5Ac(1) HexNAc(2)
C39H67N3O27
1009.9590
1009.3962
dHex(2) Neu5Ac(1) HexNAc(2)
1-
1008.3889
1009.9590
1009.3962
3
Hex(3) HexNAc(3)
C42H73N3O31
1116.0368
1115.4228
Hex(3) HexNAc(3)
1-
1114.4155
1116.0368
1115.4228
3
dHex(1) HexNAc(3) Sulf(2)
C30H53N3O26S2
935.8808
935.2359
dHex(1) HexNAc(3) Sulf(2)
1-
934.2286
935.8808
935.2359
3
Hex(1) Neu5Ac(1) HexNAc(2) Sulf(1)
C33H57N3O27S1
959.8795
959.2900
Hex(1) Neu5Ac(1) HexNAc(2) Sulf(1)
1-
958.2827
959.8795
959.2900
3
Hex(3) Neu5Ac(1) HexNAc(1) Sulf(1)
C37H64N2O32S1
1080.9688
1080.3163
Hex(3) Neu5Ac(1) HexNAc(1) Sulf(1)
1-
1079.3090
1080.9688
1080.3163
3
dHex(1) Neu5Ac(2) HexNAc(1) Sulf(2)
C36H61N3O32S2
1112.0058
1111.2680
dHex(1) Neu5Ac(2) HexNAc(1) Sulf(2)
1-
1110.2607
1112.0058
1111.2680
3
dHex(2) Hex(3) HexNAc(1) Sulf(1)
C38H67N1O32S1
1081.9968
1081.3367
dHex(2) Hex(3) HexNAc(1) Sulf(1)
1-
1080.3294
1081.9968
1081.3367
3
dHex(3) Neu5Ac(1) HexNAc(1) Sulf(2)
C37H64N2O32S2
1113.0338
1112.2884
dHex(3) Neu5Ac(1) HexNAc(1) Sulf(2)
1-
1111.2811
1113.0338
1112.2884
3
dHex(3) HexNAc(2) Sulf(2)
C34H60N2O29S2
1024.9713
1024.2723
dHex(3) HexNAc(2) Sulf(2)
1-
1023.2650
1024.9713
1024.2723
3
Hex(3) Neu5Ac(1) HexNAc(3)
C53H90N4O39
1407.2930
1406.5182
Hex(3) Neu5Ac(1) HexNAc(3)
1-
1405.5109
1407.2930
1406.5182
3
Neu5Ac(1) HexNAc(5) Sulf(1)
C51H86N6O37S1
1407.3192
1406.4753
Neu5Ac(1) HexNAc(5) Sulf(1)
1-
1405.4680
1407.3192
1406.4753
3
dHex(1) Neu5Ac(2) HexNAc(2) Sulf(1)
C44H74N4O34S1
1235.1364
1234.3905
dHex(1) Neu5Ac(2) HexNAc(2) Sulf(1)
1-
1233.3832
1235.1364
1234.3905
3
dHex(1) Neu5Ac(1) HexNAc(2) Sulf(1)
C33H57N3O26S1
943.8801
943.2951
dHex(1) Neu5Ac(1) HexNAc(2) Sulf(1)
1-
942.2878
943.8801
943.2951
3
Hex(2) Neu5Ac(1) HexNAc(2) Sulf(1)
C39H67N3O32S1
1122.0210
1121.3428
Hex(2) Neu5Ac(1) HexNAc(2) Sulf(1)
1-
1120.3356
1122.0210
1121.3428
3
dHex(1) Hex(1) Neu5Gc(1) HexNAc(2) Sulf(1)
C39H67N3O32S1
1122.0210
1121.3428
dHex(1) Hex(1) Neu5Gc(1) HexNAc(2) Sulf(1)
1-
1120.3356
1122.0210
1121.3428
3
dHex(3) HexNAc(2) Sulf(1)
C34H60N2O26S1
944.9081
944.3155
dHex(3) HexNAc(2) Sulf(1)
1-
943.3082
944.9081
944.3155
3
dHex(1) HexNAc(2) Sulf(1)
C22H40N2O18S1
652.6239
652.1997
dHex(1) HexNAc(2) Sulf(1)
1-
651.1924
652.6239
652.1997
3
dHex(2) Hex(3) HexNAc(1) Sulf(2)
C38H67N1O35S2
1162.0600
1161.2935
dHex(2) Hex(3) HexNAc(1) Sulf(2)
1-
1160.2862
1162.0600
1161.2935
3
Hex(3) Neu5Ac(1) HexNAc(1) Sulf(2)
C37H64N2O35S2
1161.0320
1160.2731
Hex(3) Neu5Ac(1) HexNAc(1) Sulf(2)
1-
1159.2658
1161.0320
1160.2731
3
dHex(2) Hex(2) Neu5Ac(1) HexNAc(1)
C43H74N2O32
1131.0483
1130.4225
dHex(2) Hex(2) Neu5Ac(1) HexNAc(1)
1-
1129.4152
1131.0483
1130.4225
3
dHex(1) Neu5Ac(2) HexNAc(1)
C36H61N3O26
951.8794
951.3543
dHex(1) Neu5Ac(2) HexNAc(1)
1-
950.3471
951.8794
951.3543
3
dHex(3) Neu5Ac(1) HexNAc(2) Sulf(1)
C45H77N3O34S1
1236.1643
1235.4109
dHex(3) Neu5Ac(1) HexNAc(2) Sulf(1)
1-
1234.4036
1236.1643
1235.4109
3
Hex(4) HexNAc(4)
C56H96N4O41
1481.3720
1480.5550
Hex(4) HexNAc(4)
1-
1479.5477
1481.3720
1480.5550
3
Hex(1) HexNAc(6) Sulf(1)
C54H92N6O39S1
1481.3982
1480.5121
Hex(1) HexNAc(6) Sulf(1)
1-
1479.5048
1481.3982
1480.5121
3
dHex(1) Hex(1) Neu5Ac(1) HexNAc(2) Sulf(2)
C39H67N3O34S2
1186.0848
1185.3047
dHex(1) Hex(1) Neu5Ac(1) HexNAc(2) Sulf(2)
1-
1184.2975
1186.0848
1185.3047
3
Hex(2) Neu5Ac(2) HexNAc(2)
C50H84N4O37
1333.2141
1332.4814
Hex(2) Neu5Ac(2) HexNAc(2)
1-
1331.4742
1333.2141
1332.4814
3
dHex(2) Hex(2) Neu5Ac(1) HexNAc(2)
C51H87N3O37
1334.2420
1333.5018
dHex(2) Hex(2) Neu5Ac(1) HexNAc(2)
1-
1332.4946
1334.2420
1333.5018
3
dHex(1) Hex(3) HexNAc(1)
C32H57N1O25
855.7915
855.3220
dHex(1) Hex(3) HexNAc(1)
1-
854.3147
855.7915
855.3220
3
dHex(1) HexNAc(3) Sulf(1)
C30H53N3O23S1
855.8176
855.2791
dHex(1) HexNAc(3) Sulf(1)
1-
854.2718
855.8176
855.2791
3
dHex(2) Hex(3) HexNAc(3)
C54H93N3O39
1408.3210
1407.5386
dHex(2) Hex(3) HexNAc(3)
1-
1406.5313
1408.3210
1407.5386
3
dHex(2) HexNAc(5) Sulf(1)
C52H89N5O37S1
1408.3472
1407.4957
dHex(2) HexNAc(5) Sulf(1)
1-
1406.4884
1408.3472
1407.4957
3
dHex(1) HexNAc(2) Sulf(2)
C22H40N2O21S2
732.6871
732.1565
dHex(1) HexNAc(2) Sulf(2)
1-
731.1492
732.6871
732.1565
3
Neu5Ac(2) HexNAc(1) Sulf(1)
C30H51N3O25S1
885.8005
885.2532
Neu5Ac(2) HexNAc(1) Sulf(1)
1-
884.2460
885.8005
885.2532
3
dHex(2) Hex(2) Neu5Ac(1) HexNAc(1) Sulf(2)
C43H74N2O38S2
1291.1747
1290.3361
dHex(2) Hex(2) Neu5Ac(1) HexNAc(1) Sulf(2)
1-
1289.3288
1291.1747
1290.3361
3
dHex(1) Neu5Ac(2) HexNAc(2) Sulf(2)
C44H74N4O37S2
1315.1996
1314.3473
dHex(1) Neu5Ac(2) HexNAc(2) Sulf(2)
1-
1313.3401
1315.1996
1314.3473
3
dHex(3) Neu5Ac(1) HexNAc(2) Sulf(2)
C45H77N3O37S2
1316.2275
1315.3677
dHex(3) Neu5Ac(1) HexNAc(2) Sulf(2)
1-
1314.3605
1316.2275
1315.3677
3
dHex(1) Hex(4) Neu5Ac(1) HexNAc(1) Sulf(1)
C49H84N2O41S1
1389.2524
1388.4270
dHex(1) Hex(4) Neu5Ac(1) HexNAc(1) Sulf(1)
1-
1387.4197
1389.2524
1388.4270
3
dHex(1) Hex(1) Neu5Ac(1) HexNAc(3) Sulf(2)
C47H80N4O39S2
1389.2785
1388.3841
dHex(1) Hex(1) Neu5Ac(1) HexNAc(3) Sulf(2)
1-
1387.3768
1389.2785
1388.3841
3
dHex(2) Neu5Ac(3) HexNAc(1)
C53H88N4O38
1389.2778
1388.5077
dHex(2) Neu5Ac(3) HexNAc(1)
1-
1387.5004
1389.2778
1388.5077
3
dHex(3) Hex(1) HexNAc(2) Sulf(2)
C40H70N2O34S2
1187.1128
1186.3251
dHex(3) Hex(1) HexNAc(2) Sulf(2)
1-
1185.3179
1187.1128
1186.3251
3
Hex(2) Neu5Ac(2) HexNAc(2) Sulf(1)
C50H84N4O40S1
1413.2773
1412.4383
Hex(2) Neu5Ac(2) HexNAc(2) Sulf(1)
1-
1411.4310
1413.2773
1412.4383
3
Hex(4) HexNAc(1) Sulf(2)
C32H57N1O32S2
1031.9173
1031.2305
Hex(4) HexNAc(1) Sulf(2)
1-
1030.2232
1031.9173
1031.2305
3
dHex(1) Neu5Ac(2) HexNAc(1) Sulf(1)
C36H61N3O29S1
1031.9426
1031.3111
dHex(1) Neu5Ac(2) HexNAc(1) Sulf(1)
1-
1030.3039
1031.9426
1031.3111
3
dHex(2) Neu5Ac(1) HexNAc(2) Sulf(2)
C39H67N3O33S2
1170.0854
1169.3098
dHex(2) Neu5Ac(1) HexNAc(2) Sulf(2)
1-
1168.3025
1170.0854
1169.3098
3
Hex(4) Neu5Ac(1) HexNAc(4)
C67H113N5O49
1772.6283
1771.6504
Hex(4) Neu5Ac(1) HexNAc(4)
1-
1770.6431
1772.6283
1771.6504
3
Hex(1) Neu5Ac(1) HexNAc(6) Sulf(1)
C65H109N7O47S1
1772.6544
1771.6075
Hex(1) Neu5Ac(1) HexNAc(6) Sulf(1)
1-
1770.6002
1772.6544
1771.6075
3
dHex(2) Hex(4) HexNAc(4)
C68H116N4O49
1773.6562
1772.6708
dHex(2) Hex(4) HexNAc(4)
1-
1771.6635
1773.6562
1772.6708
3
dHex(2) Hex(1) HexNAc(6) Sulf(1)
C66H112N6O47S1
1773.6824
1772.6279
dHex(2) Hex(1) HexNAc(6) Sulf(1)
1-
1771.6206
1773.6824
1772.6279
3
Hex(3) Neu5Ac(2) HexNAc(3)
C64H107N5O47
1698.5493
1697.6136
Hex(3) Neu5Ac(2) HexNAc(3)
1-
1696.6064
1698.5493
1697.6136
3
Neu5Ac(2) HexNAc(5) Sulf(1)
C62H103N7O45S1
1698.5754
1697.5707
Neu5Ac(2) HexNAc(5) Sulf(1)
1-
1696.5635
1698.5754
1697.5707
3
dHex(2) Hex(3) Neu5Ac(1) HexNAc(3)
C65H110N4O47
1699.5773
1698.6340
dHex(2) Hex(3) Neu5Ac(1) HexNAc(3)
1-
1697.6268
1699.5773
1698.6340
3
dHex(2) Neu5Ac(1) HexNAc(5) Sulf(1)
C63H106N6O45S1
1699.6034
1698.5911
dHex(2) Neu5Ac(1) HexNAc(5) Sulf(1)
1-
1697.5839
1699.6034
1698.5911
3
dHex(2) Hex(1) HexNAc(2)
C34H60N2O24
880.8443
880.3536
dHex(2) Hex(1) HexNAc(2)
1-
879.3463
880.8443
880.3536
3
dHex(3) HexNAc(2)
C34H60N2O23
864.8449
864.3587
dHex(3) HexNAc(2)
1-
863.3514
864.8449
864.3587
3
Hex(3) HexNAc(4) Sulf(1)
C50H86N4O39S1
1399.2937
1398.4590
Hex(3) HexNAc(4) Sulf(1)
1-
1397.4517
1399.2937
1398.4590
3