Dataset

Pentasaccharides (Hex-Hex-Hex-Hex-Hex)

This MassBank record with Accession MSBNK-RIKEN-PR308964 contains the MS2 mass spectrum of Pentasaccharides (Hex-Hex-Hex-Hex-Hex) with the InChIkey FTNIPWXXIGNQQF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C30H52O26/c31-1-6-11(36)12(37)18(43)27(49-6)54-23-8(3-33)51-29(20(45)14(23)39)56-25-10(5-35)52-30(21(46)16(25)41)55-24-9(4-34)50-28(19(44)15(24)40)53-22-7(2-32)48-26(47)17(42)13(22)38/h6-47H,1-5H2
SMILES OCC5OC(OC1C(O)C(O)C(OC1(CO))OC2C(O)C(O)C(OC2(CO))OC3C(O)C(O)C(OC3(CO))OC4C(O)C(O)C(O)OC4(CO))C(O)C(O)C5(O)
InChI Key FTNIPWXXIGNQQF-UHFFFAOYSA-N
Molecular Formula C30H52O26
Exact Mass 828.720 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR308964
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:25:46.247887
MetadataModified 2025-02-09T18:23:05.825878
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
29541797 eMolecules
3710145 PubChem
HMDB0249794 Human Metabolome Database
MCULE-2454563676 Mcule
177692 ChEBI
The data in this table is sourced from UniChem at EBI.