Dataset

Shikimic acid

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01061 contains the MS2 mass spectrum of Shikimic acid with the InChIkey JXOHGGNKMLTUBP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)
SMILES C1C(C(C(C=C1C(=O)O)O)O)O
InChI Key JXOHGGNKMLTUBP-UHFFFAOYSA-N
Molecular Formula C7H10O5
Exact Mass 174.053 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-Washington_State_Univ-BML01061
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:26:14.270968
MetadataModified 2024-01-11T22:26:14.425709
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
29549772 eMolecules
SCHEMBL43376 SureChEMBL
PD056193 ProbesDrugs
60025567 NMRShiftDB
132329 ChEBI
MTBLC132329 Metabolights
MCULE-2599314177 Mcule
CB01032624 ChemicalBook
J23.532F Nikkaji
1094 PubChem
The data in this table is sourced from UniChem at EBI.