Dataset

trans-3-Hydroxycotinine

This MassBank record with Accession MSBNK-Athens_Univ-AU227503 contains the MS2 mass spectrum of trans-3-Hydroxycotinine with the InChIkey XOKCJXZZNAUIQN-DTWKUNHWSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9+/m0/s1
SMILES CN1[C@@H](C[C@H](C1=O)O)c2cccnc2
InChI Key XOKCJXZZNAUIQN-DTWKUNHWSA-N
Molecular Formula C10H12N2O2
Exact Mass 192.090 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU227503
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:42:35.515203
MetadataModified 2025-02-08T19:11:44.281168
MetadataPublished 2018-12-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
107963 PubChem
PD101975 ProbesDrugs
16899521 PubChem: Thomson Pharma
71182 ChEBI
108450-02-8 ACToR
31226308 eMolecules
SCHEMBL10893109 SureChEMBL
DTXSID30873224 EPA CompTox Dashboard
MTBLC71182 Metabolights
H7LH47Y29A FDA SRS
CHEMBL1614639 ChEMBL
ZINC000095908875 ZINC
HY-113239 MedChemExpress
J109.375D Nikkaji
CB51236009 ChemicalBook
The data in this table is sourced from UniChem at EBI.