Alternate identifier:
-
Related identifier:
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Creator/Author:
Bräse, Stefan https://orcid.org/0000-0003-4845-3191 [Karlsruhe Institute of Technology]

Jung, Nicole https://orcid.org/0000-0001-9513-2468 [Jung, Nicole]

Huang, Pei-Chi https://orcid.org/0000-0002-9976-4507 [Huang, Pei-Chi]

Lin, Chia-Lin https://orcid.org/0000-0002-9772-0455 [Lin, Chia-Lin]
Contributors:
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Title:
Chemotion Repository - Data collection: mass spectrometry data
Additional titles:
-
Description:
(Abstract) This collection contains mass spectrometry data that were collected in the research data repository Chemotion from 2019-2023. The scientists who contributed to this collection are given as additional information (-> Other) to this dataset. The dataset was collected to enable the systematic re-use of...

(Method) The dataset was gained as a subset of information from Chemotion repository after (1) filtering for mass spectrometry data with a precision of 0.001 Da, and (2) removal of duplicates

(Other) The collection was gained from contributions of the following scientists: Alexander B. Braun, André Jung, Angela Wandler, Arnaud Westeel, Chloé Liagre, Christoph Zippel, Cornelia Mattern, Daniel Knoll, Danny Wagner, Eduard Spuling, Florian Mohr, Georg Manolikakes, Hannes Kühner, Harald Kelm, Helena...

(Technical Info) The provided zip folder includes 599 datasets including at least one *.jdx file each and one metadata file "msei_final" with metadata describing the 599 datasets

(Technical Info) The metadata file "msei_final" contains the following metadata per dataset: sample_id, molfile, ontology term, analysis_id, instruments, authors, content, molfile_id
Keywords:
mass spectrometry
analytical chemistry
Chemotion repository
Related information:
(Reference to Chemotion repository) https://chemotion-repository.net/
Language:
-
Publishers:
Karlsruhe Institute of Technology (KIT)
Production year:
Subject areas:
Chemistry
Resource type:
(Collection) Collection of measurement data - mass spectrometry data
Data source:
(Other) Chemotion Repository
Software used:
Resource production
Software:
Chemotion Repository - v1.0-v1.2
Alternative software:
-
Software used:
Resource viewing
Software:
ChemSpectra - v0.9-v0.12
Alternative software:
-
Data processing:
-
Publication year:
Rights holders:
Karlsruhe Institute of Technology (KIT)
Funding:
German Research Foundation (DFG) - (NFDI4Chem)(441958208)
Ministry of Science, Research and Arts Baden-Württemberg - (Science Data Center MoMaF)
Name Storage Metadata Upload Action
Status:
Published
Uploaded by:
4ec1dc4999facd5756ede6023e5c0564
Created on:
Archiving date:
2023-09-28
Archive size:
83.1 MB
Archive creator:
4ec1dc4999facd5756ede6023e5c0564
Archive checksum:
7969a1bae6f010cbf88311f6737db263 (MD5)
Embargo period:
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