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Spectrum EAD001591 for isorhapontin_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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as MOL file
as MoNA JSON Record
Compound Metadata
Name
Value
SMILES
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COc1cc(C=Cc2cc(O)cc(OC3OC(CO)C(O)C(O)C3O)c2)ccc1O
Mass Spectral Metadata
Name
Value
retentiontime
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1.0864468598042714
spectrum type
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MS2
precursormz
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438.1758553
formula
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C21H24O9
exactmass
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420.1420323
precursor type
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[M+NH4]+
ion mode
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P
spectrum entropy
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4.14137
normalized entropy
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0.295548769727218
origin
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ead_pfp.msp