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Orciprenaline
SpectraBase Compound ID A5lM15FXPxb
InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3
InChIKey LMOINURANNBYCM-UHFFFAOYSA-N
Mol Weight 211.26 g/mol
Molecular Formula C11H17NO3
Exact Mass 211.120843 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID FWefTyx1VG1
Name Orciprenaline
CAS Registry Number 586-06-1
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-235.00]
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Formula C11H17NO3
InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3
InChIKey LMOINURANNBYCM-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES OC1=CC(=CC(C(CNC(C)C)O)=C1)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