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Carbamazepine-M (10.11-epoxide-HO-ring) MS2
SpectraBase Compound ID 8vYhdqkQ0KO
InChI InChI=1S/C15H12N2O3/c16-15(19)17-11-4-2-1-3-9(11)13-14(20-13)10-7-8(18)5-6-12(10)17/h1-7,13-14,18H,(H2,16,19)
InChIKey NYFKJANLMLVARE-UHFFFAOYSA-N
Mol Weight 268.27 g/mol
Molecular Formula C15H12N2O3
Exact Mass 268.084792 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID G4g40BdG3U6
Name Carbamazepine-M (10.11-epoxide-HO-ring)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-295.00]
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Formula C15H12N2O3
InChI InChI=1S/C15H12N2O3/c16-15(19)17-11-4-2-1-3-9(11)13-14(20-13)10-7-8(18)5-6-12(10)17/h1-7,13-14,18H,(H2,16,19)
InChIKey NYFKJANLMLVARE-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES NC(N1C=2C(C3C(C4=C1C=CC(=C4)O)O3)=CC=CC2)=O
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge 1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD