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Spectrum CCMSLIB00000578070 for "3,5-DIIODO-L-THYRONINE"
Originally submitted to the
Global Natural Product Social Molecular Networking Library
as GNPS
GNPS
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as JSON (Internal MoNA Format)
as MSP (NIST-compatible)
Submitter:
GNPS Team
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Mass Spectrum
Ion Table / Peak Table
Similar Spectra
Compound Information
Chemical Names
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as MOL file
as MoNA JSON Record
Compound Metadata
Name
Value
cas number
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1041-01-6
pubmed id
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92859
SMILES
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[NH3+][C@H](Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1)C([O-])=O
Mass Spectral Metadata
Name
Value
ion source
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LC-ESI
compound source
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Commercial standard
instrument
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Q-Exactive Plus
adduct
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[M+H]+
precursor mz
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525.9
exactmass
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524.893
charge
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0
ion mode
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Positive
source file
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IROA_PLATE_pos_5_G.mzXML
ms level
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2
origin
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GNPS-EMBL-MCF
authors
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Alexandrov Theodore, pphapale, Prasad