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PHYSOSTIGMIN
SpectraBase Compound ID 4mm5FI4tjcD
InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)
InChIKey PIJVFDBKTWXHHD-UHFFFAOYSA-N
Mol Weight 275.35 g/mol
Molecular Formula C15H21N3O2
Exact Mass 275.163377 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID KSekJvxfKSb
Name Physostigmine
CAS Registry Number 57-47-6
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-300.00]
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Formula C15H21N3O2
InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)
InChIKey PIJVFDBKTWXHHD-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES N(C(OC=1C=C2C3(C(N(CC3)C)N(C2=CC1)C)C)=O)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