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2,3:9,10-bis(methylenedioxy)-7-methyl-7,13a-secoberbin-13a-one
SpectraBase Compound ID 37lF5b2ygvZ
InChI InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3
InChIKey GPTFURBXHJWNHR-UHFFFAOYSA-N
Mol Weight 353.37 g/mol
Molecular Formula C20H19NO5
Exact Mass 353.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID hOh60iFk
Name Protopine
CAS Registry Number 130-86-9
Classification Alkaloid
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Exact Mass 353.126322711 u
Formula C20H19NO5
InChI InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3
InChIKey GPTFURBXHJWNHR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 353.374 g/mol
SMILES c12c3c(OCO3)ccc1CC(c1cc3OCOc3cc1CCN(C2)C)=O
SPLASH splash10-0002-5900000000-45a6656050afaab95125
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_5776