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Oxybuprocaine MS3_1
SpectraBase Compound ID 1ZGoSCrzSJL
InChI InChI=1S/C13H17NO3/c1-3-5-8-17-12-9-10(6-7-11(12)14)13(15)16-4-2/h6-7,9H,2-5,8H2,1H3,(H-,14,15)/p+1
InChIKey PZOGOFAIEQSUKO-UHFFFAOYSA-O
Mol Weight 236.29 g/mol
Molecular Formula C13H18NO3
Exact Mass 236.128668 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID DckQ6X5UhwS
Name Oxybuprocaine MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-250.00]
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InChI InChI=1S/C13H17NO3/c1-3-5-8-17-12-9-10(6-7-11(12)14)13(15)16-4-2/h6-7,9H,2-5,8H2,1H3,(H-,14,15)/p+1
InChIKey PZOGOFAIEQSUKO-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES NC1=CC=C(C(OC[CH2+])=O)C=C1OCCCC
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