Spectrum CCMSLIB00005720908 for tetradecanoic acid

Rating: (*)★(*)★(*)★(*)★(*)☆

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
C14H28O2
228.208930136
O=C(O)CCCCCCCCCCCCC
InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
TUNFSRHWOTWDNC-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Lysate
qTof
228.209
1
ESI-_20-40eV_HCE_20M_2.mzXML
MS2
HCE-CELL-LYSATE-LIPIDS
O Laprevote, mpanitchpakdi, C-TAC
negative
1.4147724319019894
0.4245755107712768
227.2
[M-H]-
7.280528169072603 ppm
-0.0016541360000132954 Da