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Spectrum EAD000177 for N-acetyl-O-methyltyrosine_major
Originally submitted to the
EAD PFP NP lib
as PFP NP library
PFP NP library
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as JSON (Internal MoNA Format)
as MSP (NIST-compatible)
Submitter:
Fanzhou Kong
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Mass Spectrum
Ion Table / Peak Table
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Compound Information
biological
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Compound Metadata
Name
Value
SMILES
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COc1ccc(CC(NC(C)=O)C(=O)O)cc1
Mass Spectral Metadata
Name
Value
retentiontime
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0.8656925518785218
spectrum type
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MS2
precursormz
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238.1073844
formula
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C12H15NO4
exactmass
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237.100108
precursor type
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[M+H]+
ion mode
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P
origin
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ead_pfp.msp
spectrum entropy
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2.9876323
normalized entropy
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0.1022631431607456