Isotopic Profile Database (IPDBs) for selected formula lists

‪Sadjad Fakouri Baygi‬

doi:10.5281/zenodo.7065107

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Published August 31, 2022 | Version v4

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Isotopic Profile Database (IPDBs) for selected formula lists

‪Sadjad Fakouri Baygi‬¹

1. Icahn School of Medicine at Mount Sinai

Contributors

Supervisor:

Dinesh Kumar Barupal¹

1. Icahn School of Medicine at Mount Sinai

Isotopic Profile Databases (IPDBs) were generated for a list of databases using molecular formula. IDSL.UFA software was used for generating the isotope profiles for each formula.

Files

IPDB_v1.5.zip

Files (959.1 MB)

Name	Size	Download all
IPDB_v1.5.zip md5:9c66905d274c47a06489d5933fb8ea6e	76.7 MB	Preview Download
PubChem07092021.zip md5:8ef25a7867e947d84b2a9cdb6a32741f	863.6 MB	Preview Download
PubChem_MolecularFormula_Freq_Database.Rdata md5:fefb360416ce6638c8c578e423d9a57c	18.9 MB	Download

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DOI

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Dataset

Publisher

Zenodo

License: Creative Commons Attribution 4.0 International

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Technical metadata

Created: September 9, 2022
Modified: January 7, 2023

Isotopic Profile Database (IPDBs) for selected formula lists

Authors/Creators

Contributors

Supervisor:

Description

Files

IPDB_v1.5.zip

Files (959.1 MB)