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Items tagged with "massbank" (3)
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Original Uploader |
Created: 05/06/08 @ 16:00:38 | Last updated: 16/06/08 @ 11:40:46
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License: Creative Commons Attribution-Share Alike 3.0 Unported License
uses InChI's retrieved from a MassBank peaklist query to get compound information about those compounds via querying ChemSpider for information and displaying those results with image
Rating: 0.0 / 5 (0 ratings) | Versions: 2 | Reviews: 0 | Comments: 0 | Citations: 0 Viewed: 128 times | Downloaded: 62 times Tags (8): |
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Original Uploader |
Created: 30/03/09 @ 09:30:32 | Last updated: 30/03/09 @ 09:49:13
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License: Creative Commons Attribution-Share Alike 3.0 Unported License
Workflow that queries MassBank DB to retrieve database identifiers (KEGG, PubChem, InChI) and continue search with them to retrieve pathways from KEGG for given compound identifier,searches PubChem via eutils and PUG, queries ChemSpider for compound information and image.
Note: Usage of ChemSpider web services requires a valid security token - receive one by registering at ChemSpider (look at your profile to see your token)
Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0 Viewed: 198 times | Downloaded: 0 times Tags (21): |
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Original Uploader |
Created: 10/11/09 @ 08:58:05 | Last updated: 10/11/09 @ 08:59:56
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License: Creative Commons Attribution-Share Alike 3.0 Unported License
This workflow will retrieve a peaklist from a fixed entry (Timolol) from the MassBank spectral library. Note, the API is still in alpha, as of 10.11.2009.
Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0 Viewed: 34 times | Downloaded: 29 times Tags (3): |
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