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Spectrum EAD000872 for (1R,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-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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Compound Metadata
Name
Value
SMILES
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CC(C)(O)c1ccc2c(c1)C(=O)CC1C(C)(C(=O)O)CCCC21C
Mass Spectral Metadata
Name
Value
retentiontime
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1.9555362672667844
spectrum type
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MS2
precursormz
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348.2169323
formula
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C20H26O4
exactmass
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330.1831093
precursor type
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[M+NH4]+
ion mode
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P
spectrum entropy
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4.0443964
normalized entropy
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0.3079107863905014
origin
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ead_pfp.msp