Dataset

Alternaric acid

This MassBank record with Accession MSBNK-AAFC-AC000649 contains the MS2 mass spectrum of Alternaric acid with the InChIkey OFVHHCDOMZQVQV-ZICDYRIUSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H30O8/c1-5-13(3)18(24)21(28,20(26)27)10-6-7-12(2)8-9-15(22)17-16(23)11-14(4)29-19(17)25/h6,10,13-14,17-18,24,28H,2,5,7-9,11H2,1,3-4H3,(H,26,27)/b10-6+/t13-,14+,17?,18+,21-/m0/s1
SMILES CC[C@H](C)[C@H]([C@@](/C=C/CC(=C)CCC(=O)C1C(=O)C[C@H](OC1=O)C)(C(=O)O)O)O
InChI Key OFVHHCDOMZQVQV-ZICDYRIUSA-N
Molecular Formula C21H30O8
Exact Mass 410.194 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000649
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:24:15.682731
MetadataModified 2024-01-11T09:24:15.828533
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
101297698 PubChem
J16.654E Nikkaji
70109810 NMRShiftDB
The data in this table is sourced from UniChem at EBI.