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Dihydroergotamine - GC Artefact 02
SpectraBase Compound ID 65sgDziOi3f
InChI InChI=1S/C17H16N2O4/c20-14-10-23-17-12-7-4-8-18(12)15(21)13(19(17)16(14)22)9-11-5-2-1-3-6-11/h1-3,5-6,13H,4,7-10H2
InChIKey KWCZHHKVGTVFOE-UHFFFAOYSA-N
Mol Weight 312.33 g/mol
Molecular Formula C17H16N2O4
Exact Mass 312.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gzy5BHek0fN
Name Dihydroergotamine - GC Artefact 02
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N2O4
InChI InChI=1S/C17H16N2O4/c20-14-10-23-17-12-7-4-8-18(12)15(21)13(19(17)16(14)22)9-11-5-2-1-3-6-11/h1-3,5-6,13H,4,7-10H2
InChIKey KWCZHHKVGTVFOE-UHFFFAOYSA-N
Molecular Weight 312.325 g/mol
SMILES C1=2N(C(C(N3CCCC23)=O)Cc2ccccc2)C(C(CO1)=O)=O
SPLASH splash10-0udl-2931000000-62d7a1e80366b6e20c43
Source of Spectrum CJ-0-20-3479
Synonyms Ergotamine - GC Artefact III Ergotamine-GC Artefact
Wiley ID 1313233