Dataset

Olanzapine; LC-ESI-Q; MS; POS; 60 V

This MassBank record with Accession MSBNK-Waters-WA002212 contains the MS mass spectrum of Olanzapine with the InChIkey KVWDHTXUZHCGIO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
SMILES CN(C4)CCN(C4)C(=N1)c(c3)c(sc(C)3)Nc(c2)c(ccc2)1
InChI Key KVWDHTXUZHCGIO-UHFFFAOYSA-N
Molecular Formula C17H20N4S
Exact Mass 312.141 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002212
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    PD000646 ProbesDrugs
    N7U69T4SZR FDA SRS
    olanzapine Atlas
    DB00334 DrugBank
    14923451 PubChem: Thomson Pharma
    SCHEMBL28763 SureChEMBL
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    132539-06-1 ACToR
    902226 eMolecules
    10021706 NMRShiftDB
    HMDB0005012 Human Metabolome Database
    7606 Brenda
    CB52743465 ChemicalBook
    olanzapine DailyMed
    ZINC000052957434 ZINC
    CB6755515 ChemicalBook
    C07322 KEGG Ligand
    12014657 PubChem: Drugs of the Future
    CHEMBL715 ChEMBL
    7735 ChEBI
    SAM001246652 NIH Clinical Collection
    CB04188690 ChemicalBook
    35254 BindingDB
    CB64188692 ChemicalBook
    OLANZAPINE DailyMed
    OLANZAPINE rxnorm
    OLANZAPINE PAMOATE rxnorm
    OLANZAPINE PAMOATE MONOHYDRATE rxnorm
    ZYPREXA rxnorm
    OLANSEK clinicaltrials
    LY170053 clinicaltrials
    OLANZAPINE clinicaltrials
    OLANZAPINE MYLAN clinicaltrials
    OLANZAPINE PAMOATE clinicaltrials
    LY-170053 clinicaltrials
    ZYPREXA clinicaltrials
    HY-14541 MedChemExpress
    DTXSID9023388 EPA CompTox Dashboard
    LSM-5359 LINCS
    1982 DrugCentral
    J489.991A Nikkaji
    UNOGIN CCDC
    CB34188691 ChemicalBook
    135398745 PubChem
    The data in this table is sourced from UniChem at EBI.