Spectrum CCMSLIB00005436025 for deoxycommendamide (putative) or in source fragment -H2O observed in AGP sample

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
InChI=1S/C18H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22/h14-15H,2-13,16H2,1H3,(H,19,20)(H,21,22)/b15-14+
C18H33NO3
311.24604391599996
O=C(O)CN=C(O)C=CCCCCCCCCCCCCC
XPLOWAHHERZGRC-CCEZHUSRSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Crude
qTof
0.0
1
f.lfnothias/TEMP/CCMSLIB_addition.mgf;
MS2
GNPS-LIBRARY
Dorrestein, lfnothias
positive
1.6248556283343167
0.9068491927849861
312.254
[M+H]+
0.04456628239667819 ppm
-1.3915999943492352E-5 Da