Dataset

Glycohyocholic acid

This MassBank record with Accession MSBNK-BGC_Munich-RP007402 contains the MS2 mass spectrum of Glycohyocholic acid with the InChIkey ZQYUKJFJPJDMMR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C26H43NO6/c1-14(4-7-20(29)27-13-21(30)31)16-5-6-17-22-18(9-11-25(16,17)2)26(3)10-8-15(28)12-19(26)23(32)24(22)33/h14-19,22-24,28,32-33H,4-13H2,1-3H3,(H,27,29)(H,30,31)
SMILES CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2C(C(C4C3(CCC(C4)O)C)O)O)C
InChI Key ZQYUKJFJPJDMMR-UHFFFAOYSA-N
Molecular Formula C26H43NO6
Exact Mass 465.309 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-RP007402
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:31:43.751914
MetadataModified 2025-02-09T08:44:45.659625
MetadataPublished 2017-10-21
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
181089 ChEBI
PD076308 ProbesDrugs
13955647 PubChem
The data in this table is sourced from UniChem at EBI.