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DALT-M (N-deallyl-HO-aryl-) MS2
SpectraBase Compound ID 3ODPplQoPH2
InChI InChI=1S/C13H16N2O/c1-2-6-14-7-5-10-9-15-13-4-3-11(16)8-12(10)13/h2-4,8-9,14-16H,1,5-7H2
InChIKey JEYVGKSZJWDTAH-UHFFFAOYSA-N
Mol Weight 216.28 g/mol
Molecular Formula C13H16N2O
Exact Mass 216.126263 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID AwnFojNbZ1J
Name 5-MeO-DALT-M (O-demethyl-N-dealkyl-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-240.00]
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Formula C13H16N2O
InChI InChI=1S/C13H16N2O/c1-2-6-14-7-5-10-9-15-13-4-3-11(16)8-12(10)13/h2-4,8-9,14-16H,1,5-7H2
InChIKey JEYVGKSZJWDTAH-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES N1C=C(C=2C1=CC=C(C2)O)CCNCC=C
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