Dataset

Niacin

This MassBank record with Accession MSBNK-Fiocruz-FIO00519 contains the MS2 mass spectrum of Niacin with the InChIkey PVNIIMVLHYAWGP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
SMILES OC(=O)c(c1)cncc1
InChI Key PVNIIMVLHYAWGP-UHFFFAOYSA-N
Molecular Formula C6H5NO2
Exact Mass 123.032 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00519
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MetadataCreated 2024-01-11T16:42:19.186464
MetadataModified 2025-02-09T13:01:13.251296
MetadataPublished 2016-01-19
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