Dataset

7-amino-8-(2,4-dihydroxy-6-methylphenyl)-1,9-dimethyl-3H-phenoxazin-3-one

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00753 contains the MS2 mass spectrum of 7-amino-8-(2,4-dihydroxy-6-methylphenyl)-1,9-dimethyl-3H-phenoxazin-3-one with the InChIkey NNZHGEUZKBYASA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H18N2O4/c1-9-4-12(24)6-15(26)18(9)19-11(3)21-17(8-14(19)22)27-16-7-13(25)5-10(2)20(16)23-21/h4-8,24,26H,22H2,1-3H3
SMILES CC1=CC(=CC(=C1C2=C(C3=C(C=C2N)OC4=CC(=O)C=C(C4=N3)C)C)O)O
InChI Key NNZHGEUZKBYASA-UHFFFAOYSA-N
Molecular Formula C21H18N2O4
Exact Mass 362.127 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-BML00753
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:26:56.876754
MetadataModified 2024-01-11T22:26:57.045213
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1314469 ChEMBL
5036900 PubChem
16305421 PubChem: Thomson Pharma
SCHEMBL54692 SureChEMBL
1400-62-0 ACToR
ZINC000004521758 ZINC
90306 ChEBI
24ME8Z95KB FDA SRS
MTBLC90306 Metabolights
The data in this table is sourced from UniChem at EBI.