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Spectrum EAD000065 for 3-Methylorsellinic 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
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Compound Metadata
Name
Value
SMILES
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Cc1cc(O)c(C)c(O)c1C(=O)O
Mass Spectral Metadata
Name
Value
retentiontime
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1.30100745960582
spectrum type
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MS2
precursormz
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183.0651853
formula
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C9H10O4
exactmass
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182.0579088
precursor type
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[M+H]+
ion mode
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P
spectrum entropy
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2.769977
normalized entropy
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0.0834768092944329
origin
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ead_pfp.msp