Spectrum RP004102 for Arachidonoyl 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/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
LGEQQWMQCRIYKG-DOFZRALJSA-N
C22H37NO2
347.28242942400004
OC(=NCCO)CCCC=CCC=CCC=CCC=CCCCCC

Mass Spectral Metadata

NameValue
RP004102
2017.10.20
BGC, Helmholtz Zentrum Muenchen
CC BY
Copyright (C) 2017
347.28243
maXis plus UHR-ToF-MS, Bruker Daltonics
LC-ESI-QTOF
MS2
ESI
CID
20
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
6.390 min
Water with 0.1% formic acid
ACN with 0.1% formic acid
Peaks with additional N2/O included
RMassBank 2.4.0
positive
3.2261491456671476
0.706814863883042
348.2897
[M+H]+
2.008167339030825 ppm
-6.994240000608443E-4 Da