Dataset

L-Iditol

This MassBank record with Accession MSBNK-RIKEN-PR010085 contains the MS mass spectrum of L-Iditol with the InChIkey FBPFZTCFMRRESA-UNTFVMJOSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5+,6+/m0/s1
SMILES OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO
InChI Key FBPFZTCFMRRESA-UNTFVMJOSA-N
Molecular Formula C6H14O6
Exact Mass 182.079 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-RIKEN-PR010085
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:03:19.879585
MetadataModified 2025-02-09T18:23:41.887864
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
IDITOL CCDC
J92.811I Nikkaji
CB6293558 ChemicalBook
18202 ChEBI
5460044 PubChem
1Q2H9GC12E FDA SRS
16106229 PubChem: Thomson Pharma
60021122 NMRShiftDB
C01507 Recon
488-45-9 ACToR
8321773 eMolecules
SCHEMBL435775 SureChEMBL
MTBLC18202 Metabolights
18202 Rhea
HMDB0011632 Human Metabolome Database
9198 Brenda
ZINC000005178945 ZINC
The data in this table is sourced from UniChem at EBI.