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Spectrum EAD000039 for Paeonol_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
Chemical Names
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Compound Metadata
Name
Value
SMILES
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COc1ccc(C(C)=O)c(O)c1
Mass Spectral Metadata
Name
Value
retentiontime
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1.6174984825137448
spectrum type
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MS2
precursormz
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167.0702706
formula
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C9H10O3
exactmass
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166.0629942
precursor type
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[M+H]+
ion mode
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P
spectrum entropy
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3.288208
normalized entropy
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0.2194914086302642
origin
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ead_pfp.msp