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Spectrum EAD000956 for (Z)-3-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic 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 MoNA JSON Record
Compound Metadata
Name
Value
SMILES
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COc1ccc(C=CC(=O)O)c(OC2OC(CO)C(O)C(O)C2O)c1
Mass Spectral Metadata
Name
Value
retentiontime
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0.5163087628525739
spectrum type
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MS2
precursormz
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357.1180087
formula
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C16H20O9
exactmass
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356.1107322
precursor type
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[M+H]+
ion mode
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P
spectrum entropy
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4.645366
normalized entropy
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0.6270171152234222
origin
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ead_pfp.msp