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Dihydroergotamine - GC Artefact 03
SpectraBase Compound ID 3kH5zAKmfXR
InChI InChI=1S/C16H16N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,9-10,15,17H,6,8H2,1H3
InChIKey SZQOFVJTHVUNDO-UHFFFAOYSA-N
Mol Weight 252.32 g/mol
Molecular Formula C16H16N2O
Exact Mass 252.126263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dr04ZFBFTX9
Name Dihydroergotamine - GC Artefact 03
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O
InChI InChI=1S/C16H16N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,9-10,15,17H,6,8H2,1H3
InChIKey SZQOFVJTHVUNDO-UHFFFAOYSA-N
Molecular Weight 252.317 g/mol
SMILES [nH]1cc2c3c1cccc3C=1C(C2)N(CC(C1)C=O)C
SPLASH splash10-0udi-1690000000-aa43221453fe26d06359
Source of Spectrum CJ-0-19-3480
Synonyms Ergotamine - GC Artefact IV 6-Methyl-6,11-diazatetracyclo[7.6.1.0(2,7).0(12,16)]hexadeca- 1(15),2,9,12(16),13-pentaene-4-carbaldehyde
Wiley ID 1256086