Spectrum KO001399 for (Z)-Tetradec-9-enoic 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
InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5+
YWWVWXASSLXJHU-AATRIKPKSA-N
C14H26O2
226.193280072
O=C(O)CCCCCCCC=CCCCC

Mass Spectral Metadata

NameValue
KO001399
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID M044
226.19328
API3000, Applied Biosystems
LC-ESI-QQ
MS2
10 V
negative
0.07520771448138862
0.02470263104305648
225
[M-H]-
826.6847644444573 ppm
-0.1860040720000029 Da