Spectrum IA000073 for 5-HEPE

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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; Lipid Standard
InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h3-4,6-7,9-10,12-14,16,19,21H,2,5,8,11,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,13-12-,16-14+
FTAGQROYQYQRHF-FCWZHQICSA-N
C20H30O3
318.21949481999997
O=C(O)CCCC(O)C=CC=CCC=CCC=CCC=CCC

Mass Spectral Metadata

NameValue
IA000073
2018.11.21
Nils Hoffmann, Dominik Kopczynski, Bing Peng
CC BY-SA
Copyright (C) 2019, Leibniz Institut fuer Analytische Wissenschaften - ISAS - e.V., Dortmund, Germany
318.21949
Q-Exactive HF, Thermo Scientific [MS:1002523]
LC-ESI-QFT
MS2
ESI
HCD
20.0 NCE
30.0
negative
1.8008959634559358
0.7821191794107532
317.2122
[M-H]-