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Spectrum EAD001935 for (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol_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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CC1OC(OC2C(O)C(CO)OC(OCCc3ccc(O)c(O)c3)C2O)C(O)C(O)C1O
Mass Spectral Metadata
Name
Value
retentiontime
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0.2117274592998458
spectrum type
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MS2
precursormz
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485.1629444
formula
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C20H30O12
exactmass
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462.1737264
precursor type
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[M+Na]+
ion mode
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P
spectrum entropy
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4.788252
normalized entropy
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0.4032302846508572
origin
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ead_pfp.msp