Dataset

10,11-trans-Dihydroxy-10,11-dihydrocarbamazepine

This MassBank record with Accession MSBNK-Athens_Univ-AU203902 contains the MS2 mass spectrum of 10,11-trans-Dihydroxy-10,11-dihydrocarbamazepine with the InChIkey PRGQOPPDPVELEG-KBPBESRZSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20)/t13-,14-/m0/s1
SMILES c1ccc2c(c1)[C@@H]([C@H](c3ccccc3N2C(=N)O)O)O
InChI Key PRGQOPPDPVELEG-KBPBESRZSA-N
Molecular Formula C15H14N2O3
Exact Mass 270.100 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-Athens_Univ-AU203902
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:47:40.805242
MetadataModified 2024-01-11T09:47:40.954074
MetadataPublished 2015-12-11
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
58955-93-4 ACToR
15417630 PubChem: Thomson Pharma
J346.629I Nikkaji
83815 ChEBI
ZINC000000896945 ZINC
9WR2Y6JJ6A FDA SRS
DTXSID10891461 EPA CompTox Dashboard
MTBLC83815 Metabolights
HMDB0060568 Human Metabolome Database
114725 PubChem
The data in this table is sourced from UniChem at EBI.