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Spectrum CCMSLIB00000578075 for PTERIN
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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2236-60-4
pubmed id
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7300
SMILES
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O=C2\N=C(/Nc1nccnc12)N
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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164.06
exactmass
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163.049
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