Isotopic Profile Database (IPDBs) for selected formula lists

‪Sadjad Fakouri Baygi‬

doi:10.5281/zenodo.7512923

Published January 7, 2023 | Version v5

Dataset Open

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_PubChem_v1.8.zip

Files (1.2 GB)

Name	Size	Download all
IPDB_PubChem_v1.8.zip md5:203636af18feb9f770d22f48e5829b8d	1.1 GB	Preview Download
IPDB_v1.8.zip md5:469ebf476b3126098357b5856c7e3cc6	81.4 MB	Preview Download
PubChem_Molecular_Formula_Freq.Rdata md5:c0567d41999e87e0872a120923bb56b5	28.8 MB	Download

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DOI

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Dataset

Publisher

Zenodo

License: Creative Commons Attribution 4.0 International

The Creative Commons Attribution license allows re-distribution and re-use of a licensed work on the condition that the creator is appropriately credited. Read more

Technical metadata

Created: January 7, 2023
Modified: January 8, 2023

Isotopic Profile Database (IPDBs) for selected formula lists

Authors/Creators

Contributors

Supervisor:

Description

Files

IPDB_PubChem_v1.8.zip

Files (1.2 GB)