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Naltrexone MS3_1
SpectraBase Compound ID 6REERKrPlas
InChI InChI=1S/C18H19NO2/c20-16-6-5-12-8-15-13(14-10-21-18(16)17(12)14)2-1-7-19(15)9-11-3-4-11/h5-6,10-11,15H,1-4,7-9H2/p+1
InChIKey HRFNCOGSODKVMY-UHFFFAOYSA-O
Mol Weight 282.36 g/mol
Molecular Formula C18H20NO2
Exact Mass 282.149404 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 7fYw08k21g
Name Naltrexone MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C18H19NO2/c20-16-6-5-12-8-15-13(14-10-21-18(16)17(12)14)2-1-7-19(15)9-11-3-4-11/h5-6,10-11,15H,1-4,7-9H2/p+1
InChIKey HRFNCOGSODKVMY-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC1=C2C3=C(CC4[C+](C3=CO2)CCCN4CC2CC2)C=C1
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