Dataset

Oct-1-en-3-yl Ara (1-6)Glu (NMR)

This MassBank record with Accession MSBNK-BS-BS001010 contains the MS2 mass spectrum of Oct-1-en-3-yl Ara (1-6)Glu (NMR) with the InChIkey VXNMHZVTDWLWRX-GNRUMFBNSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H34O10/c1-3-5-6-7-10(4-2)28-19-17(25)15(23)14(22)12(29-19)9-27-18-16(24)13(21)11(20)8-26-18/h4,10-25H,2-3,5-9H2,1H3/t10-,11-,12+,13-,14+,15-,16+,17+,18-,19+/m0/s1
SMILES CCCCC[C@@H](O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]2[C@@H]([C@H]([C@H](CO2)O)O)O)C=C
InChI Key VXNMHZVTDWLWRX-GNRUMFBNSA-N
Molecular Formula C19H34O10
Exact Mass 422.215 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-BS-BS001010
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:39:28.233518
MetadataModified 2024-01-11T12:39:28.399350
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
101401716 PubChem
J2.352.206C Nikkaji
70004478 NMRShiftDB
ZINC000038512976 ZINC
The data in this table is sourced from UniChem at EBI.