Dataset

1,2,3,4,7-PENTAMETHYLINDOLE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004336 contains the MS mass spectrum of 1,2,3,4,7-PENTAMETHYLINDOLE with the InChIkey BXFCMODFVWLTAT-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H17N/c1-8-6-7-9(2)13-12(8)10(3)11(4)14(13)5/h6-7H,1-5H3
SMILES Cc(c2)c(c(C)1)c(c(C)c2)n(C)c(C)1
InChI Key BXFCMODFVWLTAT-UHFFFAOYSA-N
Molecular Formula C13H17N
Exact Mass 187.136 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP004336
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:51.313730
MetadataModified 2024-01-11T15:56:51.489784
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
604503 PubChem
SCHEMBL13297908 SureChEMBL
J46.790A Nikkaji
The data in this table is sourced from UniChem at EBI.