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IAKHMKGGTNLKSZ-UHFFFAOYSA-N
SpectraBase Compound ID FF3tbClQhZO
InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)
InChIKey IAKHMKGGTNLKSZ-UHFFFAOYSA-N
Mol Weight 399.44 g/mol
Molecular Formula C22H25NO6
Exact Mass 399.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4lQBouTZ5oZ
Name Colchicine
CAS Registry Number 64-86-8
Classification Alkaloid Uricosuric
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 399.168187523 u
Formula C22H25NO6
InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)
InChIKey IAKHMKGGTNLKSZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 399.443 g/mol
SMILES COC1=CC=C2c3c(OC)c(OC)c(OC)cc3CCC(C2=CC1=O)NC(C)=O
SPLASH splash10-03dj-0289000000-2b8509ee5362f6a43ada
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_2852