Dataset

MBDB

This MassBank record with Accession MSBNK-Waters-WA002288 contains the MS mass spectrum of MBDB with the InChIkey USWVWJSAJAEEHQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H17NO2/c1-3-10(13-2)6-9-4-5-11-12(7-9)15-8-14-11/h4-5,7,10,13H,3,6,8H2,1-2H3
SMILES CCC(NC)Cc(c1)cc(O2)c(OC2)c1
InChI Key USWVWJSAJAEEHQ-UHFFFAOYSA-N
Molecular Formula C12H17NO2
Exact Mass 207.126 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-WA002288
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:36:55.927584
MetadataModified 2025-02-09T20:26:40.376160
MetadataPublished 2016-01-19
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