Spectrum MT000070 for Myristoleic acid (14:1(n-5))

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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 acid
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-WAYWQWQTSA-N
C14H26O2
226.193280072
O=C(O)CCCCCCCC=CCCCC

Mass Spectral Metadata

NameValue
MT000070
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.
226.19328
LTQ XL, Thermo Finnigan
LC-ESI-IT
MS2
40
ESI
MLIMS VERSION 5
negative
1.0772455285184221
0.37270137503091455
225.3
[M-H]-
505.97393697296246 ppm
0.11399592800000846 Da