Spectrum RP002501 for Docosahexaenoyl Ethanolamide

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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/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h3-4,6-7,9-10,12-13,15-16,18-19,26H,2,5,8,11,14,17,20-23H2,1H3,(H,25,27)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
GEEHOLRSGZPBSM-KUBAVDMBSA-N
C24H37NO2
371.28242942400004
OC(=NCCO)CCC=CCC=CCC=CCC=CCC=CCC=CCC

Mass Spectral Metadata

NameValue
RP002501
2017.10.20
BGC, Helmholtz Zentrum Muenchen
CC BY
Copyright (C) 2017
371.28243
maXis plus UHR-ToF-MS, Bruker Daltonics
LC-ESI-QTOF
MS2
ESI
CID
10
BEH C18 1.7um, 2.1x100mm, Waters
95/5 at 0 min, 95/5 at 1.12 min, 0.5/99.5 at 6.41 min, 0.5/99.5 at 10.01 min
400 uL/min
6.335 min
Water with 0.1% formic acid
ACN with 0.1% formic acid
Peaks with additional N2/O included
RMassBank 2.4.0
positive
2.8178178752993746
0.6678072590891901
372.2897
[M+H]+
1.878708973309883 ppm
-6.994240000608443E-4 Da