Dataset

Cimetidine

This MassBank record with Accession MSBNK-Waters-WA001575 contains the MS mass spectrum of Cimetidine with the InChIkey AQIXAKUUQRKLND-UHFFFAOYSA-N.

Chemical Info

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

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001575
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Maintainer
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MetadataCreated 2024-01-11T22:37:21.628765
MetadataModified 2025-02-09T20:27:47.950098
MetadataPublished 2016-01-19
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