Dataset

Hematoxylin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01103 contains the MS2 mass spectrum of Hematoxylin with the InChIkey WZUVPPKBWHMQCE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2
SMILES C1C2=CC(=C(C=C2C3C1(COC4=C3C=CC(=C4O)O)O)O)O
InChI Key WZUVPPKBWHMQCE-UHFFFAOYSA-N
Molecular Formula C16H14O6
Exact Mass 302.079 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-BML01103
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:23:28.386312
MetadataModified 2025-02-09T20:03:41.098643
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1479103 ChEMBL
51686 ChEBI
114395 BindingDB
HMDB0242211 Human Metabolome Database
10603 PubChem
60029155 NMRShiftDB
PD002243 ProbesDrugs
163550094 PubChem: Thomson Pharma
1412-19-7 ACToR
17647-60-8 ACToR
SCHEMBL1784957 SureChEMBL
517-28-2 ACToR
729725 eMolecules
MCULE-9951584865 Mcule
MTBLC51686 Metabolights
J3.539.689F Nikkaji
CB1382426 ChemicalBook
The data in this table is sourced from UniChem at EBI.