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N-ACETYL-SECO-N-METHYLLAUROTETANINE;(MAJOR-ISOMER)
SpectraBase Compound ID IpoZ7mcYo88
InChI InChI=1S/C22H25NO5/c1-13(24)23(2)9-8-15-11-20(27-4)22(28-5)21-16(15)7-6-14-10-18(25)19(26-3)12-17(14)21/h6-7,10-12,25H,8-9H2,1-5H3
InChIKey UXHXFNAMTQWXOM-UHFFFAOYSA-N
Mol Weight 383.44 g/mol
Molecular Formula C22H25NO5
Exact Mass 383.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G2gRiYcyHgu
Name Lauroscholtzine-M/artifact AC
Classification Alkaloid
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Exact Mass 383.173272904 u
Formula C22H25NO5
InChI InChI=1S/C22H25NO5/c1-13(24)23(2)9-8-15-11-20(27-4)22(28-5)21-16(15)7-6-14-10-18(25)19(26-3)12-17(14)21/h6-7,10-12,25H,8-9H2,1-5H3
InChIKey UXHXFNAMTQWXOM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 383.444 g/mol
SMILES c12c(cc(OC)c(c2c2cc(OC)c(cc2cc1)O)OC)CCN(C(C)=O)C
SPLASH splash10-03dj-0297000000-0c5b099b3306cbc4ff16
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
Synonyms Lauroscholtzine-M/artifact (seco-) AC
Technique GC/MS
Wiley ID MMPW6e_6745