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Apomorphine MS3_1
SpectraBase Compound ID Dd0uwComkIP
InChI InChI=1S/C16H12O2/c1-2-10-4-3-5-13-12(10)8-6-11-7-9-14(17)16(18)15(11)13/h2-5,7-9H,1,6H2,(H-,17,18)/p+1
InChIKey PGNSKQUAZHJHLY-UHFFFAOYSA-O
Mol Weight 237.28 g/mol
Molecular Formula C16H13O2
Exact Mass 237.091555 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Ji7fSL8iDxH
Name Apomorphine MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-250.00]
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InChI InChI=1S/C16H12O2/c1-2-10-4-3-5-13-12(10)8-6-11-7-9-14(17)16(18)15(11)13/h2-5,7-9H,1,6H2,(H-,17,18)/p+1
InChIKey PGNSKQUAZHJHLY-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC1=CC=C2C[CH+]C3=C(C2=C1O)C=CC=C3C=C
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