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added dataset dataset_43
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Stanstrup, J., Gerlich, M., Dragsted, L.O. et al authored and Stanstrup, J., Gerlich, M., Dragsted, L.O. et al committed Oct 12, 2024
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5 changes: 5 additions & 0 deletions raw_data/draft_01362/draft_01362_gradient.tsv
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t [min] flow rate [ml/min] A [%] B [%]
0 -1 95 5
1 -1 95 5
16 -1 5 95
18 -1 5 95
3 changes: 3 additions & 0 deletions raw_data/draft_01362/draft_01362_info.tsv
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id url source comment authors name missing information mail
draft_01362 10.1007/s00216-013-6954-6 Stanstrup, J., Gerlich, M., Dragsted, L.O. et al dataset_43 missing information:coloumn temperature and flowrate.
Submitted by Fangyuan Sun.
30 changes: 30 additions & 0 deletions raw_data/draft_01362/draft_01362_metadata.yaml
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column:
name: Waters ACQUITY UPLC HSS T3
id: 2.1
temperature: -1
flowrate: -1
usp.code: L1
length: 150
particle.size: '1.8'
eluent:
A:
h2o:
value: 100
unit: '%'
acn:
value: 0
unit: '%'
formic:
value: 0.1
unit: '%'
B:
h2o:
value: 0
unit: '%'
acn:
value: 100
unit: '%'
formic:
value: 0.1
unit: '%'
id: draft_01362
83 changes: 83 additions & 0 deletions raw_data/draft_01362/draft_01362_rtdata.tsv
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rt comment id pubchem.cid pubchem.smiles.isomeric
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11.9967 draft_01362_00082 5280634 CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O

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