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Merged
Bribak merged 7 commits into from
Apr 17, 2026
Merged

Submission metformin 121 20260417 072043 #15

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b93f05f
Add CA_PGMLAD_OG_051017_submission.csv
Bribak Apr 17, 2026
a85aef9
Add JC_141128PGMa_submission.csv
Bribak Apr 17, 2026
080f6f9
Add JC_171002Y1_submission.csv
Bribak Apr 17, 2026
6f86656
Add JC_200217P1N_200218002345_submission.csv
Bribak Apr 17, 2026
0bcb9f9
Add JC_240920PGM1_2_submission.csv
Bribak Apr 17, 2026
ac99c86
Add TT_200116Hayden_2_submission.csv
Bribak Apr 17, 2026
705dec6
Update leaderboard for Metformin-121
invalid-email-address Apr 17, 2026
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13 changes: 8 additions & 5 deletions leaderboard/public.md
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Original file line number Diff line number Diff line change
@@ -1,8 +1,11 @@
# Public Test Leaderboard

Last updated: 2025-12-17 15:54:33 UTC
Last updated: 2026-04-17 07:45:21 UTC

| Rank | Username | Best F1 Score | Submissions |
|------|----------|---------------|-------------|
| 1 | CandyCrunch | 0.7403 | 2 |
| 2 | baseline | 0.0000 | 1 |
Total participants: 3 | Total submissions: 4

| Rank | Username | Best F1 Score | Submissions | Last Submission |
|------|----------|---------------|-------------|------------------|
| 1 | Metformin-121 | 0.9767 | 1 | 2026-04-17 |
| 2 | CandyCrunch | 0.7403 | 2 | 2025-11-28 |
| 3 | baseline | 0.0000 | 1 | 2025-11-17 |
9 changes: 9 additions & 0 deletions leaderboard/public_scores.json
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Expand Up @@ -20,5 +20,14 @@
"timestamp": "2025-11-28T12:23:36.731443"
}
]
},
"Metformin-121": {
"best_score": 0.9767,
"submissions": [
{
"score": 0.9767,
"timestamp": "2026-04-17T07:45:21.442726"
}
]
}
}
124 changes: 124 additions & 0 deletions submissions/Metformin-121/public/CA_PGMLAD_OG_051017_submission.csv
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m/z,RT,charge,top1_pred
512.0054932,19.30209,-1,Hex(?1-?)[Hex(?1-?)]Hex(?1-?)Hex
530.2503052,26.54044833,-1,Fuc(a1-2)Gal(b1-3)GalNAc
530.2503052,27.91,-1,Fuc(a1-2)Gal(b1-3/4)HexNAc
548.8,27.49,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)[GlcNAc(a1-4)Gal(b1-3)]GalNAc
577.3,22.71,-1,GlcNAc(?1-3/4)Gal(b1-3/4)GlcNAc(b1-6)[GlcNAc(?1-3/4)Gal(b1-3)]GalNAc
587.2626953,17.49537833,-1,Gal(b1-4)GlcNAc(b1-6)GalNAc
587.2681885,10.437415,-1,GlcNAc(a1-4)Gal(b1-3)GalNAc
587.2681885,11.45,-1,{HexNAc(?1-?)}Hex(?1-?)HexNAc
587.2681885,16.38,-1,{Hex(?1-?)}HexNAc(?1-?)HexNAc
587.274292,17.64506167,-1,GlcA(?1-?)[Hex(?1-?)]Hex(?1-?)Hex(?1-?)Hex
587.2868652,14.27591333,-1,Gal(b1-3)[GlcNAc(b1-6)]GalNAc
650.35,23.21,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc(b1-6)[GlcNAc(a1-4)Gal(b1-3)]GalNAc
665.2702637,19.70563,-1,GlcA(?1-?)Hex(?1-?)Hex(?1-?)Hex(?1-?)Hex(?1-?)Hex
667.3,16.29,-1,Gal(b1-4)GlcNAc6S(b1-3)GalNAc
667.3,19.76,-1,Hex(?1-?)Hex(?1-?)Hex(?1-?)Hex
669.8052368,28.98521333,-1,Fuc(a1-2)Gal(b1-3/4)GlcNAc(b1-3)Gal(b1-3)[Gal(b1-3/4)GlcNAc6S(b1-6)]GalNAc
675.324707,13.18914167,-1,Neu5Ac(a2-3)Gal(b1-3)GalNAc
678.833374,25.631225,-1,GlcNAc(?1-3/4)Gal(b1-3/4)GlcNAc(b1-6)[GlcNAc(b1-3)[GlcNAc(b1-6)]Gal(b1-3)]GalNAc
702.8515015,27.27,-1,
702.8515015,32.7,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-3)Gal(b1-3)[Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)]GalNAc
702.8515015,34.46131667,-1,Fuc(a1-2)Gal(b1-3/4)GlcNAc(b1-3)Gal(b1-3/4)GlcNAc(b1-6)[Fuc(a1-2)Gal(b1-3)]GalNAc
731.3654175,30.86660333,-1,Fuc(a1-2)Gal(b1-3/4)GlcNAc(b1-3)Gal(b1-3)[GlcNAc(?1-3/4)Gal(b1-3/4)GlcNAc(b1-6)]GalNAc
733.3867188,20.31808,-1,Fuc(a1-2)Gal(b1-3)[HexNAc(?1-?)]GalNAc
733.4164429,27.56868667,-1,Fuc(a1-2)Gal(b1-3)[GlcNAc(b1-6)]GalNAc
733.4401855,33.06180833,-1,Fuc(a1-2)Gal(b1-3)[GlcNAc(b1-6)]GalNAc
739.3619385,30.11603333,-1,Gal(b1-3/4)GlcNAc(b1-3)[Gal(b1-3/4)GlcNAc(b1-6)]Gal(b1-3)[Gal(b1-3/4)GlcNAc(b1-6)]GalNAc
749.3777466,19.92208667,-1,Gal(b1-4)GlcNAc(b1-6)[Gal(b1-3)]GalNAc
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759.9,28.9,-1,{Gal(b1-3/4)GlcNAc(b1-3)}GlcNAc(?1-3/4)Gal(b1-3/4)GlcNAc(b1-6)[GlcNAc(?1-3/4)Gal(b1-3)]GalNAc
772.3,17,-1,Fuc(a1-3)[Gal(b1-4)]GlcNAc6S(b1-3)Gal
790.4016113,17.553295,-1,GlcNAc(a1-4)Gal(b1-3)[GlcNAc(b1-6)]GalNAc
790.4016113,20.72,-1,GalNAc(b1-4)GlcNAc(b1-6)[Gal(b1-3)]GalNAc
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804.416626,32.87231167,-1,Fuc(a1-2)Gal(b1-3/4)GlcNAc(b1-3/6)[Fuc(a1-3/4)[Gal(b1-3/4)]GlcNAc(b1-3/6)]Gal(b1-3)[GlcNAc(b1-6)]GalNAc
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812.4050293,32.89598167,-1,Fuc(a1-2)Gal(b1-3/4)GlcNAc(b1-3)Gal(b1-3)[Gal(b1-3/4)GlcNAc(b1-3)Gal(b1-3/4)GlcNAc(b1-6)]GalNAc
812.4177856,38.90552333,-1,Fuc(a1-2)Gal(b1-3/4)GlcNAc(b1-3/6)[GlcNAc(?1-3/4)Gal(b1-3/4)GlcNAc(b1-3/6)]Gal(b1-3)[GlcNAc(b1-6)]GalNAc
812.4202271,39.44089,-1,Gal(b1-3/4)GlcNAc(b1-3/6)[Fuc(a1-3/4)[Gal(b1-3/4)]GlcNAc(b1-3/6)]Gal(b1-3)[Gal(b1-3/4)GlcNAc(b1-6)]GalNAc
813.378542,24.41,-1,Hex(?1-?)Hex(?1-?)Hex(?1-?)Hex(?1-?)Hex
813.160523,35.27,-1,Hex(?1-?)Hex(?1-?)Hex(?1-?)Hex(?1-?)Hex
821.3892822,24.17167,-1,Fuc(a1-2)Gal(b1-3)[Neu5Ac(a2-6)]GalNAc
832.918335,30.45150667,-1,Fuc(a1-2)Gal(b1-3/4)GlcNAc(b1-3/6)[GlcNAc(b1-3/6)]Gal(b1-3)[GlcNAc(?1-3/4)Gal(b1-3/4)GlcNAc(b1-6)]GalNAc
832.918457,27.01662,-1,Fuc(a1-2)Gal(b1-3/4)GlcNAc(b1-3/6)[GlcNAc(b1-3/6)]Gal(b1-3)[GlcNAc(?1-3/4)Gal(b1-3/4)GlcNAc(b1-6)]GalNAc
832.9190063,31.13317167,-1,Fuc(a1-2)Gal(b1-3/4)GlcNAc(b1-3/6)[GlcNAc(b1-3/6)]Gal(b1-3)[GlcNAc(?1-3/4)Gal(b1-3/4)GlcNAc(b1-6)]GalNAc
832.923645,31.440905,-1,Fuc(a1-2)Gal(b1-3/4)GlcNAc(b1-3/6)[GlcNAc(b1-3/6)]Gal(b1-3)[GlcNAc(?1-3/4)Gal(b1-3/4)GlcNAc(b1-6)]GalNAc
832.9333496,32.55002333,-1,Fuc(a1-2)Gal(b1-3/4)GlcNAc(b1-3)Gal(b1-3)[Fuc(a1-3/4)[Gal(b1-3/4)]GlcNAc(b1-3)Gal(b1-3/4)GlcNAc(b1-6)]GalNAc
861.4376221,28.72125833,-1,GlcNAc(?1-3/4)Gal(b1-3/4)GlcNAc(b1-3)[GlcNAc(?1-3/4)Gal(b1-3/4)GlcNAc(b1-6)]Gal(b1-3)[GlcNAc(b1-6)]GalNAc
861.440918,28.07804167,-1,GlcNAc(?1-3/4)Gal(b1-3/4)GlcNAc(b1-3/6)[GlcNAc(b1-3/6)]Gal(b1-3)[GlcNAc(?1-3/4)Gal(b1-3/4)GlcNAc(b1-6)]GalNAc
878.4248047,19.20968667,-1,Neu5Ac(a2-3)Gal(b1-3)[GlcNAc(b1-6)]GalNAc
878.4274902,14.269155,-1,Gal(b1-4)GlcNAc(b1-3)[Neu5Ac(a2-6)]GalNAc
885.434082,35.427675,-1,Fuc(a1-2)[Gal(a1-3)]Gal(b1-3/4)GlcNAc(b1-3)Gal(b1-3)[Fuc(a1-3/4)GlcNAc(b1-3)Gal(b1-3/4)GlcNAc(b1-6)]GalNAc
885.4407959,33.4602,-1,Fuc(a1-2)[Gal(a1-3)]Gal(b1-3/4)GlcNAc(b1-6)[Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3/4)GlcNAc(b1-3)Gal(b1-3)]GalNAc
885.4415283,37.04031667,-1,Fuc(a1-2)Gal(b1-3/4)GlcNAc(b1-3)Gal(b1-3/4)GlcNAc(b1-3)[Fuc(a1-2)]Gal(b1-3/4)GlcNAc(b1-6)[Gal(b1-3)]GalNAc
885.4797974,32.379615,-1,Fuc(a1-2)[Gal(a1-3)]Gal(b1-3/4)GlcNAc(b1-6)[Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3/4)GlcNAc(b1-3)Gal(b1-3)]GalNAc
885.4980469,36.54435333,-1,Fuc(a1-2)[Gal(a1-3)]Gal(b1-3/4)GlcNAc(b1-3)Gal(b1-3)[Fuc(a1-3/4)GlcNAc(b1-3)Gal(b1-3/4)GlcNAc(b1-6)]GalNAc
895.4510498,23.44,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-3)Gal(b1-3)GalNAc
895.4510498,24.65650833,-1,Gal(b1-3/4)GlcNAc(b1-3)[Fuc(a1-2)]Gal(b1-3)GalNAc
895.4568481,28.626625,-1,Fuc(a1-3/4)[Gal(b1-3/4)]GlcNAc(b1-6)[Gal(b1-3)]GalNAc
905.967044,25.56,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc(b1-3)Gal(b1-3)[Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc(b1-6)]GalNAc
936.5149536,28.30531833,-1,Fuc(a1-2)Gal(b1-3/4)GlcNAc(b1-6)[GlcNAc(b1-3)]GalNAc
936.5166016,21.839425,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3)[GlcNAc(b1-6)]GalNAc
942.5,30.7,-1,
952.4854736,21.520915,-1,Gal(b1-3/4)GlcNAc(b1-3/6)[GlcNAc(b1-3/6)]Gal(b1-3)GalNAc
952.4858398,21.9053,-1,GlcNAc(?1-3/4)Gal(b1-3)[Gal(b1-3/4)GlcNAc(b1-6)]GalNAc
952.5053711,20.72316667,-1,GlcNAc(?1-3/4)Gal(b1-3/4)GlcNAc(b1-6)[Gal(b1-3)]GalNAc
958.4893799,38.56854333,-1,Fuc(a1-2)Gal(b1-3/4)[Fuc(a1-3/4)]GlcNAc(b1-3/6)[Gal(b1-3/4)GlcNAc(b1-3/6)]Gal(b1-3)[Fuc(a1-2)Gal(b1-3/4)GlcNAc(b1-6)]GalNAc
958.4909668,35.59608833,-1,Fuc(a1-2)Gal(b1-3/4)[Fuc(a1-3/4)]GlcNAc(b1-3/6)[Gal(b1-3/4)GlcNAc(b1-3/6)]Gal(b1-3)[Fuc(a1-2)Gal(b1-3/4)GlcNAc(b1-6)]GalNAc
966.4501343,15.27752167,-1,Neu5Ac(a2-3)Gal(b1-3)[Neu5Ac(a2-6)]GalNAc
975.421814,19.52424333,-1,Fuc(a1-3/4)[Gal(b1-3/4)]GlcNAc6S(b1-3)Gal(b1-3)GalNAc
975.4343872,18.26516333,-1,Fuc(a1-3/4)[Gal(b1-3/4)]GlcNAc6S(b1-6)[Gal(b1-3)]GalNAc
987.0067749,35.76888833,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3/4)GlcNAc(b1-3)[Fuc(a1-2)]Gal(b1-3)[Gal(b1-3/4)GlcNAc(b1-3)Gal(b1-3/4)GlcNAc(b1-6)]GalNAc
987.0188599,36.705005,-1,Fuc(a1-2)Gal(b1-3/4)GlcNAc(b1-3/6)[Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3/4)GlcNAc(b1-3/6)]Gal(b1-3)[Gal(b1-3/4)GlcNAc(b1-6)]GalNAc
993.5114136,20.968315,-1,GlcNAc(?1-3/4)Gal(b1-3/4)GlcNAc(b1-3)[GlcNAc(b1-6)]GalNAc
993.5146484,21.60690167,-1,GlcNAc(?1-3/4)Gal(b1-3/4)GlcNAc(b1-6)[GlcNAc(b1-3)]GalNAc
1016.464111,19.93526333,-1,GlcNAc(?1-3/4)Gal(b1-3)[Fuc(a1-3/4)GlcNAc6S(b1-6)]GalNAc
1016.483887,19.22921833,-1,Fuc(a1-3/4)GlcNAc6S(b1-3)Gal(b1-3)[GlcNAc(b1-6)]GalNAc
1040.56897,21.91216667,-1,Neu5Ac(a2-3)Gal(b1-3/4)GlcNAc(b1-6)[Gal(b1-3)]GalNAc
1041.560181,25,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)[Fuc(a1-2)Gal(b1-3)]GalNAc
1041.560181,31.46505,-1,Fuc(a1-2)Gal(b1-3)[Fuc(a1-3/4)[Gal(b1-3/4)]GlcNAc(b1-6)]GalNAc
1041.57605,32.94985167,-1,Fuc(a1-2)Gal(b1-3)[Fuc(a1-3/4)[Gal(b1-3/4)]GlcNAc(b1-6)]GalNAc
1044.1,30.78,-1,
1081.567627,21.13547833,-1,Neu5Ac(a2-3/6)Gal(b1-3)[GalNAc(b1-4)GlcNAc(b1-6)]GalNAc
1081.594971,20.88891833,-1,Neu5Ac(a2-3/6)Gal(b1-3)[GalNAc(b1-4)GlcNAc(b1-6)]GalNAc
1081.596191,22.093535,-1,Neu5Ac(a2-3)Gal(b1-3/4)GlcNAc(b1-3)[GlcNAc(b1-6)]GalNAc
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1098.630493,20.88,-1,
1098.630493,29.45281,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3/4)GlcNAc(b1-6)[Gal(b1-3)]GalNAc
1098.649292,27.398555,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3/4)GlcNAc(b1-6)[Gal(b1-3)]GalNAc
1098.630493,31.05,-1,
1113.61792,22.15886,-1,Hex(?1-?)[Hex(?1-?)]Hex(?1-?)Hex(?1-?)Hex
1114.586182,27.34714,-1,Gal(b1-3/4)GlcNAc(b1-3)Gal(b1-3)[Gal(b1-3/4)GlcNAc(b1-6)]GalNAc
1114.589722,27.99572333,-1,Gal(b1-3/4)GlcNAc(b1-3/6)[Gal(b1-3/4)GlcNAc(b1-3/6)]Gal(b1-3)GalNAc
1121.560303,25.72188833,-1,Fuc(a1-2)Gal(b1-3/4)GlcNAc6S(b1-6)[Fuc(a1-2)Gal(b1-3)]GalNAc
1139.637695,23.62259167,-1,GalNAc(?1-?)Gal(b1-3/4)GlcNAc(b1-6)[Fuc(a1-3/4)GlcNAc(b1-3)]GalNAc
1155.638306,22.70653167,-1,GlcNAc(?1-3/4)Gal(b1-3/4)GlcNAc(b1-6)[GlcNAc(?1-3/4)Gal(b1-3)]GalNAc
1155.638306,25.13,-1,
1178.582764,22.38792,-1,Fuc(a1-2)Gal(b1-3/4)GlcNAc6S(b1-6)[GlcNAc(?1-3/4)Gal(b1-3)]GalNAc
1178.586182,17.71682333,-1,Fuc(a1-3/4)[Gal(b1-3/4)]GlcNAc6S(b1-3)Gal(b1-3)[GlcNAc(b1-6)]GalNAc
1178.587524,23.77712667,-1,Fuc(a1-2)Gal(b1-3/4)GlcNAc6S(b1-6)[GlcNAc(?1-3/4)Gal(b1-3)]GalNAc
1186.62561,23.606915,-1,Neu5Ac(a2-3)Gal(b1-3/4)[Fuc(a1-3/4)]GlcNAc(b1-6)[Gal(b1-3)]GalNAc
1186.648071,25.89923333,-1,Neu5Ac(a2-3)Gal(b1-3/4)[Fuc(a1-3/4)]GlcNAc(b1-6)[Gal(b1-3)]GalNAc
1203.657837,30.54668667,-1,Fuc(a1-2)[Gal(a1-3)]Gal(b1-3)[Fuc(a1-3/4)[Gal(b1-3/4)]GlcNAc(b1-6)]GalNAc
1203.662964,32.81215833,-1,Fuc(a1-2)[Gal(a1-3)]Gal(b1-3/4)[Fuc(a1-3/4)]GlcNAc(b1-6)[Gal(b1-3)]GalNAc
1219.607666,18.5781,-1,Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-3)[Gal(b1-6)]Gal(b1-3)[Gal(b1-6)]GalNAc
1243.669067,23.94119833,-1,Neu5Ac(a2-3)Gal(b1-3/4)GlcNAc(b1-3)[Gal(b1-3/4)GlcNAc(b1-6)]GalNAc
1243.670166,21.346235,-1,GlcNAc(?1-3/4)Gal(b1-3/4)GlcNAc(b1-6)[Neu5Ac(a2-3)Gal(b1-3)]GalNAc
1244.666138,29.31083667,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3/4)[Fuc(a1-3/4)]GlcNAc(b1-6)[Gal(b1-3)]GalNAc
1244.689087,35.95878333,-1,Fuc(a1-3/4)[Gal(b1-3/4)]GlcNAc(b1-6)[Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3)]GalNAc
1260.65918,34.03146,-1,Fuc(a1-2)[Gal(a1-3)]Gal(b1-3/4)GlcNAc(b1-6)[GlcNAc(?1-3/4)Gal(b1-3)]GalNAc
1260.683838,32.73,-1,
1260.683838,31.38856833,-1,Fuc(a1-2)[Gal(a1-3)]Gal(b1-3/4)GlcNAc(b1-6)[GlcNAc(?1-3/4)Gal(b1-3)]GalNAc
1260.696655,29.77702667,-1,Fuc(a1-3/4)[Gal(b1-3/4)]GlcNAc(b1-3)Gal(b1-3)[Gal(b1-3/4)GlcNAc(b1-6)]GalNAc
1301.707397,23.04888,-1,GlcNAc(?1-3/4)Gal(b1-3/4)GlcNAc(b1-6)[Fuc(a1-3/4)[Gal(b1-3/4)]GlcNAc(b1-3)]GalNAc
1301.713989,24.81586833,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3/4)GlcNAc(b1-6)[GlcNAc(?1-3/4)Gal(b1-3)]GalNAc
1301.714111,27.97441667,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3/4)GlcNAc(b1-6)[GlcNAc(?1-3/4)Gal(b1-3)]GalNAc
1317.7,26.21,-1,
1331.687866,22.23347,-1,Neu5Ac(a2-3)Gal(b1-3/4)GlcNAc(b1-6)[Neu5Ac(a2-3)Gal(b1-3)]GalNAc
1406.7,34.61,-1,Fuc(a1-2)Gal(b1-3/4)GlcNAc(b1-3)Gal(b1-3/4)GlcNAc(b1-6)[Fuc(a1-2)Gal(b1-3)]GalNAc
1447.796387,24.97694833,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3/4)GlcNAc(b1-6)[Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3)]GalNAc
1477.750244,31.855145,-1,Neu5Ac(a2-3)Gal(b1-3/4)[Fuc(a1-3/4)]GlcNAc(b1-6)[Neu5Ac(a2-3)Gal(b1-3)]GalNAc
77 changes: 77 additions & 0 deletions submissions/Metformin-121/public/JC_141128PGMa_submission.csv
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m/z,RT,charge,top1_pred
384.15,10.61,-1,Gal(b1-3)GalNAc
384.15,14.31,-1,GlcNAc(a1-4)Gal
530.21,17.46,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal
530.21,28.91,-1,Fuc(a1-2)Gal(b1-3)GalNAc
587.25,15.21,-1,Gal(b1-3)[GlcNAc(b1-6)]GalNAc
587.42,15.85,-1,GlcNAc(a1-4)Gal(b1-3)GalNAc
587.42,16.92,-1,
667.33,18.76,-1,Gal(b1-3)[GlcNAc6S(b1-6)]GalNAc
667.33,19.64,-1,Gal(b1-4)GlcNAc6S(b1-6)GalNAc
675.42,16.64,-1,Gal(b1-3)[Neu5Ac(a2-6)]GalNAc
675.25,19.29,-1,Neu5Ac(a2-3)Gal(b1-3)GalNAc
702.76,27.52,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-3)Gal(b1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)]GalNAc
702.76,30.48,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)[Fuc(a1-2)Gal(b1-3)]GalNAc
733.29,20.7,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3)GalNAc
733.29,29.5,-1,Fuc(a1-2)Gal(b1-3)[GlcNAc(b1-6)]GalNAc
749.28,18.83,-1,Gal(b1-4)GlcNAc(b1-6)[Gal(b1-3)]GalNAc
749.28,19.76,-1,Gal(b1-4)GlcNAc(b1-3)Gal(b1-3)GalNAc
751.7,19.91,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc(b1-3)[GlcNAc(b1-6)]Gal(b1-3)[GlcNAc(b1-6)]GalNAc
790.31,18.55,-1,GlcNAc(a1-4)Gal(b1-3)[GlcNAc(b1-6)]GalNAc
804.5,27.66,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)]Gal(b1-3)[GlcNAc(b1-6)]GalNAc
804.5,28.37,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-3)[GlcNAc(b1-6)]Gal(b1-3)[Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)]GalNAc
804.5,30.37,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-3)[Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)]Gal(b1-3)[GlcNAc(b1-6)]GalNAc
812.44,26.84,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-3)[Gal(b1-4)GlcNAc(b1-6)]Gal(b1-3)[Gal(b1-4)GlcNAc(b1-6)]GalNAc
813.25,33.8,-1,Fuc(a1-2)Gal(b1-3)[GlcNAc6S(b1-6)]GalNAc
832.99,22.44,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)[GalNAc(b1-4)GlcNAc(b1-3)]Gal(b1-3)[Gal(b1-4)GlcNAc(b1-6)]GalNAc
832.99,26.61,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)[GlcNAc(a1-4)Gal(b1-4)GlcNAc(b1-3)]GalNAc
844.4,29.61,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-3)[Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)]Gal(b1-3)GalNAc66SGlcNAc
861.5,24.61,-1,GlcNAc(a1-4)Gal(b1-4)GlcNAc(b1-6)[GlcNAc(b1-3)]Gal(b1-3)[GlcNAc(a1-4)Gal(b1-4)GlcNAc(b1-6)]GalNAc
878.33,20.24,-1,GlcNAc(a1-4)Gal(b1-3)[Neu5Ac(a2-6)]GalNAc
895.34,20.81,-1,Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-3)Gal(b1-3)GalNAc
895.34,22.94,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-3)Gal(b1-3)GalNAc
895.34,24.29,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)[Gal(b1-3)]GalNAc
895.34,29.72,-1,Fuc(a1-2)Gal(b1-3)[Gal(b1-4)GlcNAc(b1-6)]GalNAc
905.99,20.92,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-3)[GlcNAc(b1-6)]Gal(b1-3)[Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc(b1-6)]GalNAc
905.99,21.64,-1,
914.53,27.33,-1,
934.5,23.17,-1,
936.37,21.64,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3)[GlcNAc(b1-6)]GalNAc
936.37,29.72,-1,Fuc(a1-2)Gal(b1-3)[GalNAc(b1-4)GlcNAc(b1-6)]GalNAc
942.54,25.51,-1,GlcNAc(a1-4)Gal(b1-4)GlcNAc(b1-3)[Gal(b1-4)GlcNAc(b1-6)]Gal(b1-3)[GlcNAc(a1-4)Gal(b1-4)GlcNAc(b1-6)]GalNAc
952.5,20.48,-1,Gal(b1-4)GlcNAc(b1-3)[GlcNAc(b1-6)]Gal(b1-3)GalNAc
952.5,20.92,-1,GlcNAc(a1-4)Gal(b1-3)[Gal(b1-4)GlcNAc(b1-6)]GalNAc
958.56,29.39,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-3)[Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)]Gal(b1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)]GalNAc
958.56,31.79,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-3)[Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)]Gal(b1-3)[Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)]GalNAc
963.04,24.93,-1,GlcNAc(a1-4)Gal(b1-4)GlcNAc(b1-3)[GlcNAc(a1-4)Gal(b1-4)GlcNAc(b1-6)]Gal(b1-3)[GalNAc(b1-4)GlcNAc(b1-6)]GalNAc
975.3,22.15,-1,Fuc(a1-2)Gal(b1-4)GlcNAc6S(b1-3)Gal(b1-3)GalNAc
987.06,29.5,-1,
987.06,30.82,-1,
993.5,20.13,-1,GlcNAc(a1-4)Gal(b1-3)[GalNAc(b1-4)GlcNAc(b1-6)]GalNAc
1007.53,21.45,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc(b1-3)[Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc(b1-6)]Gal(b1-3)[GlcNAc(b1-6)]GalNAc
1015.57,27.85,-1,
1016.4,24.4,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3)[GlcNAc6S(b1-6)]GalNAc
1040.38,22.78,-1,Gal(b1-4)GlcNAc(b1-3)Gal(b1-3)[Neu5Ac(a2-6)]GalNAc
1041.5,31.58,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)[Fuc(a1-2)Gal(b1-3)]GalNAc
1044.09,25.88,-1,GlcNAc(a1-4)Gal(b1-4)GlcNAc(b1-3)[GlcNAc(a1-4)Gal(b1-4)GlcNAc(b1-6)]Gal(b1-3)[GlcNAc(a1-4)Gal(b1-4)GlcNAc(b1-6)]GalNAc
1098.42,17.99,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc(b1-3)Gal(b1-3)GalNAc
1098.42,25.88,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)[GlcNAc(a1-4)Gal(b1-3)]GalNAc
1098.42,29.95,-1,GlcNAc(a1-4)Gal(b1-4)GlcNAc(b1-6)[Fuc(a1-2)Gal(b1-3)]GalNAc
1117.12,25.4,-1,
1121.49,34.12,-1,Fuc(a1-2)Gal(b1-4)GlcNAc6S(b1-6)[Fuc(a1-2)Gal(b1-3)]GalNAc
1155.6,21.99,-1,GlcNAc(a1-4)Gal(b1-4)GlcNAc(b1-6)[GlcNAc(a1-4)Gal(b1-3)]GalNAc
1155.6,23.29,-1,GlcNAc(a1-4)Gal(b1-4)GlcNAc(b1-6)[GlcNAc(a1-4)Gal(b1-3)]GalNAc
1178.38,20.24,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc6S(b1-3)Gal(b1-3)GalNAc
1178.38,24.18,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc6S(b1-6)GalNAc
1186.44,28.65,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)[Neu5Ac(a2-3)Gal(b1-3)]GalNAc
1190.14,23.68,-1,
1243.46,25.77,-1,GlcNAc(a1-4)Gal(b1-4)GlcNAc(b1-6)[Neu5Ac(a2-3)Gal(b1-3)]GalNAc
1244.6,29.76,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc(b1-6)[Fuc(a1-2)Gal(b1-3)]GalNAc
1260.47,25.59,-1,
1263.17,22.94,-1,
1301.5,23.47,-1,GlcNAc(a1-4)Gal(b1-4)GlcNAc(b1-6)[Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3)]GalNAc
1301.5,21.23,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc(b1-6)[GlcNAc(a1-4)Gal(b1-3)]GalNAc
1317.49,23.74,-1,GlcNAc(a1-4)Gal(b1-4)GlcNAc(b1-3)[GlcNAc(a1-4)Gal(b1-4)GlcNAc(b1-6)]Gal
1447.67,23.08,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc(b1-6)[Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3)]GalNAc
1520.64,24.1,-1,
1520.8,24.93,-1,
41 changes: 41 additions & 0 deletions submissions/Metformin-121/public/JC_171002Y1_submission.csv
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m/z,RT,charge,top1_pred
384.1,6.75,-1,Gal(b1-3)GalNAc
519.67,15.78,-1,Neu5Ac(a2-3)Gal(b1-3)[Gal(b1-4)GlcNAc(b1-6)]GalNAc
530.1,12.56,-1,Gal(b1-4)GlcNAc(b1-3)Fuc
530.1,19.91,-1,Fuc(a1-2)Gal(b1-3)GalNAc
587.1,9.42,-1,Gal(b1-3)[GlcNAc(b1-6)]GalNAc
587.1,9.65,-1,GlcNAc(a1-4)Gal(b1-3)GalNAc
675.2,9.76,-1,Gal(b1-3)[Neu5Ac(a2-6)]GalNAc
675.2,11.46,-1,Neu5Ac(a2-3)Gal(b1-3)GalNAc
733.2,12.82,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3)GalNAc
733.2,20.47,-1,Fuc(a1-2)Gal(b1-3)[GlcNAc(b1-6)]GalNAc
749.2,11.46,-1,Gal(b1-4)GlcNAc(b1-6)[Gal(b1-3)]GalNAc
790.2,11.12,-1,GlcNAc(a1-4)Gal(b1-3)[GlcNAc(b1-6)]GalNAc
813.1,23.31,-1,Fuc(a1-2)Gal(b1-3)[GlcNAc6S(b1-6)]GalNAc
848.5,15.01,-1,Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-6)[Neu5Ac(a2-3)Gal(b1-3)]GalNAc
878.2,13.51,-1,Neu5Ac(a2-3)Gal(b1-3)[GlcNAc(b1-6)]GalNAc
895.2,10.44,-1,Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)[Gal(b1-3)]GalNAc
895.2,20.69,-1,Fuc(a1-2)Gal(b1-3)[Gal(b1-4)GlcNAc(b1-6)]GalNAc
966.1,12.97,-1,Neu5Ac(a2-3)Gal(b1-3)[Neu5Ac(a2-6)]GalNAc
1040.3,15.78,-1,Neu5Ac(a2-3)Gal(b1-3)[Gal(b1-4)GlcNAc(b1-6)]GalNAc
1040.3,18.6,-1,Neu5Ac(a2-3)Gal(b1-4)GlcNAc(b1-6)[Gal(b1-3)]GalNAc
1041.4,20.69,-1,Fuc(a1-2)Gal(b1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)]GalNAc
1041.4,22.69,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)[Fuc(a1-2)Gal(b1-3)]GalNAc
1056.3,15.59,-1,Neu5Gc(a2-3)Gal(b1-3)[Gal(b1-4)GlcNAc(b1-6)]GalNAc
1098.3,17.38,-1,GlcNAc(a1-4)Gal(b1-3)[Fuc(a1-3/4)[Gal(b1-3/4)]GlcNAc(b1-6)]GalNAc
1120.3,18.2,-1,Neu5Ac(a2-3)Gal(b1-3)[Gal(b1-4)GlcNAc6S(b1-6)]GalNAc
1155.3,13.89,-1,GlcNAc(a1-4)Gal(b1-4)GlcNAc(b1-6)[GlcNAc(a1-4)Gal(b1-3)]GalNAc
1186.3,14.2,-1,Neu5Ac(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-6)[Gal(b1-3)]GalNAc
1186.3,19.37,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)[Neu5Ac(a2-3)Gal(b1-3)]GalNAc
1186.3,24.06,-1,Neu5Ac(a2-3)Gal(b1-4)GlcNAc(b1-6)[Fuc(a1-2)Gal(b1-3)]GalNAc
1187.4,22.74,-1,Fuc(a1-2)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-6)[Fuc(a1-2)Gal(b1-3)]GalNAc
1202.3,13.96,-1,Neu5Gc(a2-3)Gal(b1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)]GalNAc
1235.19,17.63,-1,Man(a1-3)[Man(a1-6)]Man(a1-6)[Man(a1-3)]Man(b1-4)GlcNAc(b1-4)GlcNAc
1301.3,13.29,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc(b1-6)[GlcNAc(a1-4)Gal(b1-3)]GalNAc
1331.3,21.88,-1,Neu5Ac(a2-3)Gal(b1-4)GlcNAc(b1-6)[Neu5Ac(a2-3)Gal(b1-3)]GalNAc
1332.3,19.05,-1,Fuc(a1-2)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-6)[Neu5Ac(a2-3)Gal(b1-3)]GalNAc
1347.3,21.54,-1,Neu5Gc(a2-3)Gal(b1-4)GlcNAc(b1-6)[Neu5Ac(a2-3)Gal(b1-3)]GalNAc
1405.4,20.97,-1,Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)[Neu5Ac(a2-3)Gal(b1-3)]GalNAc
1411.4,21.97,-1,Neu5Ac(a2-3)Gal(b1-3)GlcNAc6S(b1-6)[Neu5Ac(a2-3)Gal(b1-3)]GalNAc
1477.3,17.55,-1,Neu5Ac(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-6)[Neu5Ac(a2-3)Gal(b1-3)]GalNAc
1551.5,17.81,-1,Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)[Neu5Ac(a2-3)Gal(b1-3)]GalNAc
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