Spectrum CCMSLIB00005720920 for hexacosanoic 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
C26H52O2
396.396730904
O=C(O)CCCCCCCCCCCCCCCCCCCCCCCCC
InChI=1S/C26H52O2/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(27)28/h2-25H2,1H3,(H,27,28)
XMHIUKTWLZUKEX-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Lysate
qTof
396.397
1
ESI-_20-40eV_HCE_20M_1.mzXML
MS2
HCE-CELL-LYSATE-LIPIDS
O Laprevote, mpanitchpakdi, C-TAC
negative
2.592078361449193
0.7026736421431279
395.388
[M-H]-
3.6796867887071874 ppm
-0.0014549040000133573 Da