Dataset

Cimetidine; LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ372206 contains the MS2 mass spectrum of Cimetidine with the InChIkey AQIXAKUUQRKLND-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
SMILES CC1=C(N=CN1)CSCCNC(=NC)NC#N
InChI Key AQIXAKUUQRKLND-UHFFFAOYSA-N
Molecular Formula C10H16N6S
Exact Mass 252.116 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ372206
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MetadataPublished 2015-08-25
Related Molecule
  • 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.