Dataset

Cellobiose

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80906 contains the MS mass spectrum of Cellobiose with the InChIkey GUBGYTABKSRVRQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2
SMILES C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O
InChI Key GUBGYTABKSRVRQ-UHFFFAOYSA-N
Molecular Formula C12H22O11
Exact Mass 342.116 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-BML80906
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:25:54.621212
MetadataModified 2024-01-11T22:25:54.790671
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
294 PubChem
63-42-3 ACToR
528-50-7 ACToR
14641-93-1 ACToR
13360-52-6 ACToR
PD055406 ProbesDrugs
60023341 NMRShiftDB
SCHEMBL24202679 SureChEMBL
590728 eMolecules
5965-66-2 ACToR
6363-53-7 ACToR
69-79-4 ACToR
SCHEMBL20276017 SureChEMBL
BLACTO CCDC
HMDB0246552 Human Metabolome Database
SCHEMBL23708014 SureChEMBL
MCULE-2333127533 Mcule
SCHEMBL684118 SureChEMBL
The data in this table is sourced from UniChem at EBI.