Dataset

N-Acetyl-D-Mannosamine

This MassBank record with Accession MSBNK-BGC_Munich-RP014501 contains the MS2 mass spectrum of N-Acetyl-D-Mannosamine with the InChIkey MBLBDJOUHNCFQT-XAMCCFCMSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6-,7-,8-/m0/s1
SMILES CC(=O)N[C@@H](C=O)[C@H](O)[C@@H](O)[C@@H](O)CO
InChI Key MBLBDJOUHNCFQT-XAMCCFCMSA-N
Molecular Formula C8H15NO6
Exact Mass 221.090 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BGC_Munich-RP014501
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:27:44.323678
MetadataModified 2025-02-08T21:14:51.876874
MetadataPublished 2017-10-24
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL1322765 SureChEMBL
ZINC000013532465 ZINC
22952041 PubChem
60021146 NMRShiftDB
The data in this table is sourced from UniChem at EBI.