Dataset

Isomaltose

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81483 contains the MS mass spectrum of Isomaltose with the InChIkey DLRVVLDZNNYCBX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2
SMILES C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O
InChI Key DLRVVLDZNNYCBX-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-BML81483
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:29.553583
MetadataModified 2024-01-11T22:28:29.714704
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
60023371 NMRShiftDB
PD055404 ProbesDrugs
1939754 eMolecules
585-99-9 ACToR
SCHEMBL12253360 SureChEMBL
181906 ChEBI
SCHEMBL19730599 SureChEMBL
MCULE-6880464706 Mcule
HMDB0248216 Human Metabolome Database
MELIBM CCDC
872 PubChem
The data in this table is sourced from UniChem at EBI.