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Spectrum EAD000387 for skimmianine_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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COc1ccc2c(OC)c3ccoc3nc2c1OC
Mass Spectral Metadata
Name
Value
retentiontime
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1.758148739303599
spectrum type
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MS2
precursormz
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282.0736759
formula
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C14H13NO4
exactmass
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259.0844579
precursor type
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[M+Na]+
ion mode
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P
spectrum entropy
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4.584506
normalized entropy
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0.3849935939566489
origin
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ead_pfp.msp