Spectrum LipidBlast068980 for PS 34:1

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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
PS
C40H76NO10P
761.5206842619999
O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCCCCCCCCC
InChI=1S/C40H76NO10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,36-37H,3-16,19-35,41H2,1-2H3,(H,44,45)(H,46,47)/b18-17-
OIWCYIUQAVBPGV-ZCXUNETKSA-N

Mass Spectral Metadata

NameValue
3.66 min
45 V
15 V
in-silico QTOF
SCIEX 5600
MS2
positive
Tobias Kind, Hiroshi Tsugawa
0.6235813495006984
0.3480273776755071
762.5285
[M+H]+
0.20230325805524255 ppm
-1.5426199990997702E-4 Da