Spectrum MT000110 for Dihomolinoleic acid (20:2(n-6))

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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
Natural Product; Fatty Acyls; Fatty Acids and Conjugates; Unsaturated fatty acids
InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22)/b7-6-,10-9-
XSXIVVZCUAHUJO-HZJYTTRNSA-N
C20H36O2
308.271530392
O=C(O)CCCCCCCCCC=CCC=CCCCCC

Mass Spectral Metadata

NameValue
MT000110
2016.01.19 (Created 2009.08.07, modified 2012.10.30)
Evans A M, Mitchell M, DeHaven C D, Barrett T, Milgram E, Metabolon Inc.
CC BY-NC-ND
Copyright (C) 2003-2009 Metabolon, Inc.
308.27153
LTQ XL, Thermo Finnigan
LC-ESI-IT
MS2
40
ESI
MLIMS VERSION 5
negative
0.8200547446458375
0.5915444566790075
307.3
[M-H]-
116.32153595839037 ppm
0.03574560800001336 Da