Dataset

Glc(beta1-4)Glc(beta1-4)Glc, D-(+)-Cellotriose, O-beta-D-Glucopyranosyl-(1-4)-O-beta-D-Glucopyranosyl-(1-4)-D-Glucose

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS053603 contains the MS2 mass spectrum of Glc(beta1-4)Glc(beta1-4)Glc, D-(+)-Cellotriose, O-beta-D-Glucopyranosyl-(1-4)-O-beta-D-Glucopyranosyl-(1-4)-D-Glucose with the InChIkey FYGDTMLNYKFZSV-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2
SMILES	C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O
InChI Key	FYGDTMLNYKFZSV-UHFFFAOYSA-N
Molecular Formula	C18H32O16
Exact Mass	504.438 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS053603
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:06:59.968979
MetadataModified	2024-01-11T21:07:00.150192
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
29541382	eMolecules
871	PubChem
SCHEMBL1097722	SureChEMBL
60068493	NMRShiftDB
PD068912	ProbesDrugs
HMDB0038852	Human Metabolome Database
DTXSID40859579	EPA CompTox Dashboard
C00420	KEGG Ligand
173277	ChEBI
COFMEP	CCDC
9004-53-9	ACToR
The data in this table is sourced from UniChem at EBI.