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Glaucine-M (2-O-demethyl-) MS3_1
SpectraBase Compound ID Frg7lMGr6Up
InChI InChI=1S/C19H18O4/c1-5-11-8-17(23-4)19(20)18-13(11)7-6-12-9-15(21-2)16(22-3)10-14(12)18/h6-10H,1,5H2,2-4H3/p+1
InChIKey PBONHNBRTKSLME-UHFFFAOYSA-O
Mol Weight 311.36 g/mol
Molecular Formula C19H19O4
Exact Mass 311.128334 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 9IUfEfC8sLV
Name Predicentrine MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [70.00-325.00]
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InChI InChI=1S/C19H18O4/c1-5-11-8-17(23-4)19(20)18-13(11)7-6-12-9-15(21-2)16(22-3)10-14(12)18/h6-10H,1,5H2,2-4H3/p+1
InChIKey PBONHNBRTKSLME-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC1=C2C3=CC(=C(C=C3C=CC2=C(C[CH2+])C=C1OC)OC)OC
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: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS