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Phenmedipham-M artifact (phenol)
SpectraBase Compound ID 7I5w0A37wGx
InChI InChI=1S/C8H9NO3/c1-12-8(11)9-6-2-4-7(10)5-3-6/h2-5,10H,1H3,(H,9,11)
InChIKey OHNUXXRXJBCUFT-UHFFFAOYSA-N
Mol Weight 167.16 g/mol
Molecular Formula C8H9NO3
Exact Mass 167.058243 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 2ckkQ6syXvi
Name Phenmedipham-M artifact (phenol)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-190.00]
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Formula C8H9NO3
InChI InChI=1S/C8H9NO3/c1-12-8(11)9-6-2-4-7(10)5-3-6/h2-5,10H,1H3,(H,9,11)
InChIKey OHNUXXRXJBCUFT-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(=O)OC)C=1C=CC(=CC1)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