Spectrum CCMSLIB00000479709 for Lignoceric acid

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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
557-59-5
11197
InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)
QZZGJDVWLFXDLK-UHFFFAOYSA-N
C24H48O2
368.365430776
O=C(O)CCCCCCCCCCCCCCCCCCCCCCC

Mass Spectral Metadata

NameValue
DI-ESI
Commercial
Orbitrap
368.365
1
Lignoceric_acid_Tetracosanoic_acid_neg2.mzXML
MS2
GNPS-EMBL-MCF
Alexandrov Theodore, pphapale, Prasad
negative
0.8373151761018137
0.3019976130557889
369.4
[M-H]-
5527.464060638834 ppm
2.041845223999985 Da