Dataset

Diclofenac; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-

This MassBank record with Accession MSBNK-UFZ-UF409354 contains the MS2 mass spectrum of Diclofenac with the InChIkey DCOPUUMXTXDBNB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
SMILES OC(=O)CC1=CC=CC=C1NC1=C(Cl)C=CC=C1Cl
InChI Key DCOPUUMXTXDBNB-UHFFFAOYSA-N
Molecular Formula C14H11Cl2NO2
Exact Mass 295.017 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-UFZ-UF409354
Version
Author
Maintainer
Language
MetadataPublished 2017-01-05
Related Molecule
  • 2-[2-(2,6-dichloroanilino)phenyl]acetic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00586 drugbank
    DIF rcsb_pdb
    CHEMBL139 chembl
    2799 surechembl
    29354260 surechembl
    3033 pubchem
    144O8QL0L1 fdasrs
    2714 gtopdb
    PD009905 probes_and_drugs
    SIKLIH CCDC
    153432 brenda
    154422 brenda
    69451 brenda
    HMDB0014724 hmdb
    1169595 bindingdb
    1218799 bindingdb
    1218800 bindingdb
    1336953 bindingdb
    1336954 bindingdb
    23553 bindingdb
    23558 bindingdb
    23563 bindingdb
    23568 bindingdb
    294328 bindingdb
    408604 bindingdb
    408624 bindingdb
    408642 bindingdb
    50095709 bindingdb
    50095719 bindingdb
    50097337 bindingdb
    50097343 bindingdb
    50141096 bindingdb
    50146486 bindingdb
    50146963 bindingdb
    50149595 bindingdb
    50153823 bindingdb
    50236400 bindingdb
    50236406 bindingdb
    50310067 bindingdb
    50310124 bindingdb
    50316355 bindingdb
    50316361 bindingdb
    50325894 bindingdb
    50325897 bindingdb
    50326051 bindingdb
    50343533 bindingdb
    50358782 bindingdb
    50371129 bindingdb
    50376040 bindingdb
    50377785 bindingdb
    50377800 bindingdb
    50389021 bindingdb
    50389030 bindingdb
    50445540 bindingdb
    50445565 bindingdb
    50498059 bindingdb
    50498083 bindingdb
    50510712 bindingdb
    50510739 bindingdb
    50598965 bindingdb
    50612118 bindingdb
    50665902 bindingdb
    50665903 bindingdb
    50665905 bindingdb
    50665906 bindingdb
    50665907 bindingdb
    50677025 bindingdb
    50677052 bindingdb
    50729223 bindingdb
    50729242 bindingdb
    50739701 bindingdb
    50753964 bindingdb
    50832314 bindingdb
    50832315 bindingdb
    50864742 bindingdb
    50864746 bindingdb
    50864754 bindingdb
    50864767 bindingdb
    50874431 bindingdb
    50874458 bindingdb
    50937505 bindingdb
    50937511 bindingdb
    50937521 bindingdb
    51020925 bindingdb
    51026329 bindingdb
    51036137 bindingdb
    51040679 bindingdb
    51141820 bindingdb
    51141825 bindingdb
    51160359 bindingdb
    51199989 bindingdb
    51199998 bindingdb
    51204098 bindingdb
    51204110 bindingdb
    51245750 bindingdb
    51245805 bindingdb
    51252315 bindingdb
    51252338 bindingdb
    51252386 bindingdb
    51296642 bindingdb
    51296643 bindingdb
    51332156 bindingdb
    51332179 bindingdb
    51341578 bindingdb
    51375690 bindingdb
    51383297 bindingdb
    51383317 bindingdb
    51437438 bindingdb
    51437462 bindingdb
    51503015 bindingdb
    51512205 bindingdb
    51512221 bindingdb
    51512222 bindingdb
    51527320 bindingdb
    51527323 bindingdb
    51566022 bindingdb
    51566025 bindingdb
    51566047 bindingdb
    51566068 bindingdb
    Molport-000-003-072 molport
    865 drugcentral
    The data in this table is sourced from UniChem at EBI.