Dataset

Maltose; LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+Na]+

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P100734_9EE2 contains the MS2 mass spectrum of Maltose with the InChIkey GUBGYTABKSRVRQ-ASMJPISFSA-N.

Chemical Information

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/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1
SMILES C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O
InChI Key GUBGYTABKSRVRQ-ASMJPISFSA-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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P100734_9EE2
Version
Author
Maintainer
Language
MetadataPublished 2021-12-09
Related Molecule
  • (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    16403055 PubChem: Thomson Pharma
    9005-84-9 ACToR
    PD100423 ProbesDrugs
    60028230 NMRShiftDB
    439341 PubChem
    4482-75-1 ACToR
    475543 eMolecules
    86 Brenda
    173130 Brenda
    2826 Brenda
    ZINC000004095490 ZINC
    210758 Brenda
    59551 Brenda
    18167 Rhea
    HMDB0037138 Human Metabolome Database
    1168 Brenda
    MTBLC18167 Metabolights
    49190 Brenda
    59579 Brenda
    47761 Brenda
    21244 Brenda
    49191 Brenda
    SCHEMBL346806 SureChEMBL
    15SUG9AD26 FDA SRS
    J247.675D Nikkaji
    HY-N2024 MedChemExpress
    224910 Brenda
    233859 Brenda
    MALTOT CCDC
    DTXSID20196313 EPA CompTox Dashboard
    CB9965724 ChemicalBook
    18167 ChEBI
    C00897 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.