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Spectrum EAD002157 for Catechin Pentaacetate_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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as MoNA JSON Record
Compound Metadata
Name
Value
SMILES
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CC(=O)Oc1cc(OC(C)=O)c2c(c1)OC(c1ccc(OC(C)=O)c(OC(C)=O)c1)C(OC(C)=O)C2
Mass Spectral Metadata
Name
Value
retentiontime
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2.336415464183527
spectrum type
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MS2
precursormz
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518.1656846
formula
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C25H24O11
exactmass
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500.1318616
precursor type
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[M+NH4]+
ion mode
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P
spectrum entropy
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3.7417939
normalized entropy
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0.130916105712072
origin
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ead_pfp.msp