Dataset

Decarestrictine F

This MassBank record with Accession MSBNK-AAFC-AC000768 contains the MS2 mass spectrum of Decarestrictine F with the InChIkey MXRJZFNJVFPSQN-NQRYBKARSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H12O4/c1-6-4-9-8(14-9)3-2-7(11)5-10(12)13-6/h2-3,6,8-9H,4-5H2,1H3/b3-2-/t6-,8-,9+/m1/s1
SMILES C[C@@H]1C[C@H]2[C@H](O2)/C=C\C(=O)CC(=O)O1
InChI Key MXRJZFNJVFPSQN-NQRYBKARSA-N
Molecular Formula C10H12O4
Exact Mass 196.074 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-AC000768
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:21:43.037193
MetadataModified 2024-01-11T09:21:43.196241
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J506.446E Nikkaji
101635652 PubChem
DTXSID20894004 EPA CompTox Dashboard
60053518 NMRShiftDB
The data in this table is sourced from UniChem at EBI.