Agroclavine

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Systematic / IUPAC Name: 6,8-Dimethyl-8,9-didehydroergoline

ID: Reference6157

Other Names: Agroclavin;
Indolo[4,3-fg]quinoline, 4,6,6a,7,8,10a-hexahydro-7, 9-dimethyl-

Formula: C16H18N2

Class: Natural Toxins

Spectral Data

Agroclavine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 3457
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/12/2016 7:10:19 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C16H18N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8,13,15,17H,7,9H2,1-2H3
InChI Key XJOOMMHNYOJWCZ-UHFFFAOYSA-N
Canonical SMILES CC1=CC2C(CC3=CNC4=CC=CC2=C34)N(C1)C
CAS
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Other Names Agroclavin;
Indolo[4,3-fg]quinoline, 4,6,6a,7,8,10a-hexahydro-7, 9-dimethyl-

In Other Databases

ChEMBL CHEMBL1999620
PubChem 287403
ChemSpider 253418
Wikipedia Agroclavine