Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C23H27N3O2S/c27-22(25-14-6-7-15-25)13-8-16-26-21-12-5-4-11-20(21)24-23(26)29-18-17-28-19-9-2-1-3-10-19/h1-5,9-12H,6-8,13-18H2
SMILES O=C(N1CCCC1)CCCn1c(SCCOc2ccccc2)nc2c1cccc2
InChI Key ZXNPVDOMPCBEFA-UHFFFAOYSA-N
Molecular Formula C23H27N3O2S
Exact Mass 409.544 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZXNPVDOMPCBEFA-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/ZXNPVDOMPCBEFA-UHFFFAOYSA-N/Mass/EI.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:35:04.001531
MetadataModified 2024-09-07T14:09:28.047529
MetadataPublished 2015-10-30
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
92042807 PubChem
The data in this table is sourced from UniChem at EBI.