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Olsalazine
SpectraBase Compound ID HSIPQfKWq96
InChI InChI=1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)/b16-15+
InChIKey QQBDLJCYGRGAKP-FOCLMDBBSA-N
Mol Weight 302.24 g/mol
Molecular Formula C14H10N2O6
Exact Mass 302.053886 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID GsMJyTa6bBP
Name Olsalazine_neg
CAS Registry Number 15722-48-2
Collision Gas N2
Comments FTMS - p ESI d Full ms2 [email protected] [50.00-325.00]
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Formula C14H10N2O6
InChI InChI=1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)/b16-15+
InChIKey QQBDLJCYGRGAKP-FOCLMDBBSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity N
Ionization Type HESI
Precursor Ion [M-H]-
SMILES OC1=C(C=C(\N=N\C=2C=C(C(O)=O)C(=CC2)O)C=C1)C(O)=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