Dataset

Diprogulic Acid

This MassBank record with Accession MSBNK-Eawag-EQ01123005 contains the MS2 mass spectrum of Diprogulic Acid with the InChIkey FWCBATIDXGJRMF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H18O7/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8/h6-8H,5H2,1-4H3,(H,13,14)
SMILES CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)C(=O)O)C
InChI Key FWCBATIDXGJRMF-UHFFFAOYSA-N
Molecular Formula C12H18O7
Exact Mass 274.105 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-Eawag-EQ01123005
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:40:27.705071
MetadataModified 2025-02-09T10:05:04.790177
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J152.146B Nikkaji
MCULE-9072720762 Mcule
72085 PubChem
18467-77-1 ACToR
129607-69-8 ACToR
PD014504 ProbesDrugs
SCHEMBL5933443 SureChEMBL
The data in this table is sourced from UniChem at EBI.