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DOM-M (HO-glucuronide) MS3_1
SpectraBase Compound ID KMmnOUG18vp
InChI InChI=1S/C12H19NO3/c1-7(13)5-9-6-10(15-3)8(2)11(14)12(9)16-4/h6-7,14H,5,13H2,1-4H3
InChIKey UVUKQWVPMUVONG-UHFFFAOYSA-N
Mol Weight 225.29 g/mol
Molecular Formula C12H19NO3
Exact Mass 225.136493 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 2gKnCvkM7QK
Name DOM-M (HO-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-250.00]
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Formula C12H19NO3
InChI InChI=1S/C12H19NO3/c1-7(13)5-9-6-10(15-3)8(2)11(14)12(9)16-4/h6-7,14H,5,13H2,1-4H3
InChIKey UVUKQWVPMUVONG-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(=C(CC(N)C)C=C(C1C)OC)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