Spectrum CCMSLIB00000479725 for Palmitoleic 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
373-49-9
445638
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-
SECPZKHBENQXJG-FPLPWBNLSA-N
C16H30O2
254.2245802
O=C(O)CCCCCCCC=CCCCCCC

Mass Spectral Metadata

NameValue
DI-ESI
Commercial
Orbitrap
254.225
1
Palmitoleic_acid_neg2.mzXML
MS2
GNPS-EMBL-MCF
Alexandrov Theodore, pphapale, Prasad
negative
0.3402633247297623
0.16363207039467303
253.24
[M-H]-
89.62170273261786 ppm
0.02269580000000815 Da