Spectrum CCMSLIB00005463498 for N-dodecanoyl-S-homoserine lactone

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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
45266530
InChI=1S/C16H29NO3/c1-2-3-4-5-6-7-8-9-10-11-15(18)17-14-12-13-20-16(14)19/h14H,2-13H2,1H3,(H,17,18)/t14-/m1/s1
C16H29NO3
283.21474378799996
O=C1OCCC1N=C(O)CCCCCCCCCCC
WILLZMOKUUPJSL-CQSZACIVSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Other
Orbitrap
283.215
1
f.tikzo/260819/carve/6_carve_26_08_19.mzXML;
MS2
GNPS-LIBRARY
tikzo, Michael M. Meijler, Zohar Tik
positive
3.113893421716486
0.7379755268361392
284.221
[M+H]+
6.029772606390499 ppm
-0.001713787999960914 Da