Spectrum LipidBlast031772 for DAG 34:2

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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
DAG
C37H68O5
592.506675276
O=C(OCC(OC(=O)CCCCCCCCCCCC=CCC=CCCCCC)CO)CCCCCCCCCCC
InChI=1S/C37H68O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-12-10-8-6-4-2/h11,13,15-16,35,38H,3-10,12,14,17-34H2,1-2H3/b13-11-,16-15-
SVNZLXUMQGBAGT-DURLKXOLSA-N

Mass Spectral Metadata

NameValue
6.29 min
45 V
15 V
in-silico QTOF
SCIEX 5600
MS2
positive
Tobias Kind, Hiroshi Tsugawa
1.2290922600051624
0.763677958938033
610.54105
[M+NH4]+
6.8877858417436775 ppm
-0.004205275999993319 Da