Dataset

D-Pinitol

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81145 contains the MS mass spectrum of D-Pinitol with the InChIkey DSCFFEYYQKSRSV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3
SMILES COC1C(C(C(C(C1O)O)O)O)O
InChI Key DSCFFEYYQKSRSV-UHFFFAOYSA-N
Molecular Formula C7H14O6
Exact Mass 194.079 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-Washington_State_Univ-BML81145
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:19:35.009343
MetadataModified 2025-02-09T20:04:20.212480
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL171890 ChEMBL
SCHEMBL23720629 SureChEMBL
ZZZIIO CCDC
MCULE-7951850879 Mcule
J3.334.597F Nikkaji
230881 PubChem
60074342 NMRShiftDB
PD065201 ProbesDrugs
484-68-4 ACToR
60537-25-9 ACToR
642-38-6 ACToR
10284-63-6 ACToR
SCHEMBL24537 SureChEMBL
1972348 eMolecules
The data in this table is sourced from UniChem at EBI.