Spectrum MoNA016752 for LEUKOTRIENE B4

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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
VNYSSYRCGWBHLG-AMOLWHMGSA-N
C20H32O4
336.230059504
O=C(O)CCCC(O)C=CC=CC=CC(O)CC=CCCCCC
InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1

Mass Spectral Metadata

NameValue
C20H32O4
-1
5.675416
-1
LC-ESI-QTOF
XEVO-G2S
6V (MS1); Ramp 15V-30V (MSE)
MSMS-USMARCStd-Pos-V1.msp
positive
0.8518780036999927
0.40966672379345653
337.2359
[M+H]+
6.314582759372156 ppm
-0.0021295039999813525 Da