Dataset

Salicin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01096 contains the MS2 mass spectrum of Salicin with the InChIkey NGFMICBWJRZIBI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2
SMILES C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)CO)O)O)O
InChI Key NGFMICBWJRZIBI-UHFFFAOYSA-N
Molecular Formula C13H18O7
Exact Mass 286.105 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-BML01096
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:59.244235
MetadataModified 2024-01-11T22:28:59.400899
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
1972509 eMolecules
5145 PubChem
MolPort-004-285-477 MolPort
85510 BindingDB
10340 NMRShiftDB
SCHEMBL23623699 SureChEMBL
MCULE-1320650797 Mcule
SCHEMBL21984844 SureChEMBL
CHEMBL315895 ChEMBL
138-52-3 ACToR
PD055296 ProbesDrugs
SCHEMBL4533731 SureChEMBL
The data in this table is sourced from UniChem at EBI.