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Propoxur
SpectraBase Compound ID 7K53C63OR38
InChI InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)
InChIKey ISRUGXGCCGIOQO-UHFFFAOYSA-N
Mol Weight 209.24 g/mol
Molecular Formula C11H15NO3
Exact Mass 209.105193 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID FDC8NZzEaQP
Name Propoxur
CAS Registry Number 114-26-1
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-230.00]
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Formula C11H15NO3
InChI InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)
InChIKey ISRUGXGCCGIOQO-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(OC1=C(OC(C)C)C=CC=C1)=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