Dataset

Diltiazem; LC-ESI-Q; MS; POS; 30 V

This MassBank record with Accession MSBNK-Waters-WA000851 contains the MS mass spectrum of Diltiazem with the InChIkey HSUGRBWQSSZJOP-RTWAWAEBSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1
SMILES CN(C)CCN(C(=O)1)c(c3)c(ccc3)SC(c(c2)ccc(OC)c2)C(OC(C)=O)1
InChI Key HSUGRBWQSSZJOP-RTWAWAEBSA-N
Molecular Formula C22H26N2O4S
Exact Mass 414.161 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-WA000851
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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