Spectrum CCMSLIB00005720587 for OLEATE

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
112-80-1
445639
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
C18H34O2
282.255880328
O=C(O)CCCCCCCC=CCCCCCCCC
ZQPPMHVWECSIRJ-KTKRTIGZSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
qTof
282.256
1
IROATECH_MSMLS_SCIEX_5600_TripleTOF.mgf
MS2
PSU-MSMLS
Andrew D. Patterson, mpanitchpakdi, Philip Smith
positive
3.6569036654424645
0.8826417451858846
283.264
[M+H]+
0.5283834162494112 ppm
1.496720000204732E-4 Da