Dataset

Lansoprazole; LC-ESI-FT; MS2; CE: 20,40,130%; R=30000; [M+H]+

This MassBank record with Accession MSBNK-UoB-XB000400 contains the MS2 mass spectrum of Lansoprazole with the InChIkey MJIHNNLFOKEZEW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
SMILES CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F
InChI Key MJIHNNLFOKEZEW-UHFFFAOYSA-N
Molecular Formula C16H14F3N3O2S
Exact Mass 369.076 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-XB000400
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MetadataPublished 2022-11-08
Related Molecule
  • 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    0K5C5T2QPG FDA SRS
    1547 DrugCentral
    J126.212B Nikkaji
    7208 Guide to Pharmacology
    HY-13662 MedChemExpress
    ZOTON clinicaltrials
    OGAST clinicaltrials
    AG-1749 clinicaltrials
    TAKEPRON clinicaltrials
    PREVACID clinicaltrials
    AGOPTON clinicaltrials
    LANZOR clinicaltrials
    LANSOX clinicaltrials
    LANSOPRAZOLE clinicaltrials
    PREVACID rxnorm
    LANSOPRAZOLE rxnorm
    LANSOPRAZOLE DailyMed
    47032 BindingDB
    DTXSID4023200 EPA CompTox Dashboard
    SAM001246544 NIH Clinical Collection
    DB00448 DrugBank
    CHEMBL480 ChEMBL
    6375 ChEBI
    12013895 PubChem: Drugs of the Future
    lansoprazole DailyMed
    4413 Brenda
    HMDB0005008 Human Metabolome Database
    CB6396972 ChemicalBook
    MCULE-8446262134 Mcule
    103577-45-3 ACToR
    60061656 NMRShiftDB
    SCHEMBL22365 SureChEMBL
    PA450180 PharmGKB
    3883 PubChem
    Lansoprazole Selleck
    PD000804 ProbesDrugs
    14852955 PubChem: Thomson Pharma
    LSM-5064 LINCS
    902018 eMolecules
    The data in this table is sourced from UniChem at EBI.