Published March 8, 2023
| Version v1
Dataset
Open
Dataset associated with: "An in silico infrared spectral library of molecular ions for metabolite identification"
Creators
- 1. Radboud University
- 2. Radboud University Medical Center
- 3. University of Alberta
Description
Dataset associated with the publication: "An in silico infrared spectral library of molecular ions for metabolite identification"
Both the experimental and computational data are also available on the website of the human metabolome database (https://hmdb.ca/).
Files
ComputedIRspectra.zip
Files
(960.8 MB)
| Name | Size | Download all |
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md5:63235751eb4a4ed8cff0a7627f65a2ab
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720.9 MB | Preview Download |
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md5:bb1f9bcd60164bf990339ed71e07f142
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133.0 MB | Preview Download |
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md5:ff0bf92d8e866f5fb42395a395c67dbb
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54.5 MB | Preview Download |
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md5:cd186fb36c76b345550a4b99aad42a04
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46.2 MB | Preview Download |
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md5:920709f78a391ca992b76d97fc41ac6f
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6.2 MB | Preview Download |