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DOI-M (O-demethyl-) MS2
SpectraBase Compound ID JC5kQ1Kjfrq
InChI InChI=1S/C10H14INO2/c1-6(12)3-7-4-10(14-2)8(11)5-9(7)13/h4-6,13H,3,12H2,1-2H3
InChIKey DOSVQBUJJWERKN-UHFFFAOYSA-N
Mol Weight 307.13 g/mol
Molecular Formula C10H14INO2
Exact Mass 307.006924 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID HdtXlqpt9Ih
Name DOI-M (O-demethyl-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-330.00]
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Formula C10H14INO2
InChI InChI=1S/C10H14INO2/c1-6(12)3-7-4-10(14-2)8(11)5-9(7)13/h4-6,13H,3,12H2,1-2H3
InChIKey DOSVQBUJJWERKN-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES OC=1C(CC(C)N)=CC(=C(C1)I)OC
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