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Spectrum EAD002350 for 4-[(E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid_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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O=C(C=Cc1ccc(O)c2c1C(C(=O)O)C(c1ccc(O)c(O)c1)O2)OC(Cc1ccc(O)c(O)c1)C(=O)O
Mass Spectral Metadata
Name
Value
retentiontime
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1.4087165747638974
spectrum type
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MS2
precursormz
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556.1449491
formula
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C27H22O12
exactmass
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538.1111261
precursor type
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[M+NH4]+
ion mode
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P
spectrum entropy
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3.9943664
normalized entropy
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0.2787632328840475
origin
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ead_pfp.msp