Dataset

Hexose + C13H21O2 (isomer of 1145)

This MassBank record with Accession MSBNK-RIKEN-PR308948 contains the MS2 mass spectrum of Hexose + C13H21O2 (isomer of 1145) with the InChIkey ZZFQYZCZBBRLTI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H32O8/c1-10(26-18-17(25)16(24)15(23)14(9-21)27-18)4-5-13-11(8-20)6-12(22)7-19(13,2)3/h6,10,13-18,20-21,23-25H,4-5,7-9H2,1-3H3
SMILES O=C2C=C(CO)C(CCC(OC1OC(CO)C(O)C(O)C1(O))C)C(C)(C)C2
InChI Key ZZFQYZCZBBRLTI-UHFFFAOYSA-N
Molecular Formula C19H32O8
Exact Mass 388.457 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-RIKEN-PR308948
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:42:37.972137
MetadataModified 2024-01-11T20:42:38.126183
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
175106 ChEBI
HMDB0036318 Human Metabolome Database
70092774 NMRShiftDB
72791584 PubChem
The data in this table is sourced from UniChem at EBI.