Spectrum CCMSLIB00000479724 for Palmitic 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
57-10-3
985
InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
IPCSVZSSVZVIGE-UHFFFAOYSA-N
C16H32O2
256.240230264
O=C(O)CCCCCCCCCCCCCCC

Mass Spectral Metadata

NameValue
DI-ESI
Commercial
Orbitrap
256.24
1
Palmitic_acid_neg2.mzXML
MS2
GNPS-EMBL-MCF
Alexandrov Theodore, pphapale, Prasad
negative
1.2693941160622613
0.4578371490441634
255.25
[M-H]-
66.78055239960837 ppm
0.017045736000000034 Da