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Rizatriptan-M (deamino-HO-)
SpectraBase Compound ID 2JitWE93tQY
InChI InChI=1S/C13H14N4O/c18-4-3-11-6-15-13-2-1-10(5-12(11)13)7-17-9-14-8-16-17/h1-2,5-6,8-9,15,18H,3-4,7H2
InChIKey WXWBRTKSGCYLQS-UHFFFAOYSA-N
Mol Weight 242.28 g/mol
Molecular Formula C13H14N4O
Exact Mass 242.116761 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID GjFyTd2YHoW
Name Rizatriptan-M (deamino-HO-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-265.00]
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Formula C13H14N4O
InChI InChI=1S/C13H14N4O/c18-4-3-11-6-15-13-2-1-10(5-12(11)13)7-17-9-14-8-16-17/h1-2,5-6,8-9,15,18H,3-4,7H2
InChIKey WXWBRTKSGCYLQS-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES OCCC1=CNC2=C1C=C(C=C2)CN1N=CN=C1
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