Dataset

lansoprazole_BTP_M5

This MassBank record with Accession MSBNK-UoB-XB000404 contains the MS2 mass spectrum of lansoprazole_BTP_M5 with the InChIkey GNILTGRCVCMPFJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H10F3NO2/c1-6-7(4-14)13-3-2-8(6)15-5-9(10,11)12/h2-3,14H,4-5H2,1H3
SMILES CC1=C(C=CN=C1CO)OCC(F)(F)F
InChI Key GNILTGRCVCMPFJ-UHFFFAOYSA-N
Molecular Formula C9H10F3NO2
Exact Mass 221.066 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-UoB-XB000404
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:09:37.185029
MetadataModified 2025-02-09T19:56:14.829736
MetadataPublished 2023-04-25
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
11229760 PubChem
DTXSID50459448 EPA CompTox Dashboard
J355.023K Nikkaji
ZINC000012958690 ZINC
AJR7D4YGL7 FDA SRS
CB0401058 ChemicalBook
290137 eMolecules
16313368 PubChem: Thomson Pharma
SCHEMBL1681095 SureChEMBL
The data in this table is sourced from UniChem at EBI.