Spectrum KO001386 for Myristate

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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/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
C14H28O2
228.208930136
O=C(O)CCCCCCCCCCCCC

Mass Spectral Metadata

NameValue
KO001386
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 M041
228.20893
API3000, Applied Biosystems
LC-ESI-QQ
MS2
30 V
negative
1.1342128468996857
0.4297795406608464
227
[M-H]-
888.3442114537529 ppm
-0.20165413600000193 Da