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Protopine-M (demethylene-) MS2
SpectraBase Compound ID 9Jy6qjD7vnD
InChI InChI=1S/C19H19NO5/c1-20-5-4-12-7-17-18(25-10-24-17)8-13(12)16(22)6-11-2-3-15(21)19(23)14(11)9-20/h2-3,7-8,21,23H,4-6,9-10H2,1H3
InChIKey OKIAKBOJQLISPE-UHFFFAOYSA-N
Mol Weight 341.36 g/mol
Molecular Formula C19H19NO5
Exact Mass 341.126323 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID LcA3DSkbNZR
Name Protopine-M (demethylene-glucuronide) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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Formula C19H19NO5
InChI InChI=1S/C19H19NO5/c1-20-5-4-12-7-17-18(25-10-24-17)8-13(12)16(22)6-11-2-3-15(21)19(23)14(11)9-20/h2-3,7-8,21,23H,4-6,9-10H2,1H3
InChIKey OKIAKBOJQLISPE-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC1=CC=C2CC(C=3C(CCN(CC2=C1O)C)=CC=1OCOC1C3)=O
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS