Spectrum MoNA033632 for 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE

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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
MLKLDGSYMHFAOC-AREMUKBSSA-N
C28H56NO8P
565.374354382
O=C(OCC(OC(=O)CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCC
InChI=1S/C28H56NO8P/c1-6-8-10-12-14-16-18-20-27(30)34-24-26(25-36-38(32,33)35-23-22-29(3,4)5)37-28(31)21-19-17-15-13-11-9-7-2/h26H,6-25H2,1-5H3/t26-/m1/s1

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent qTOF 6545
C28H56NO8P
positive
20 eV
Sonnenburg Lab MS2 Library C18 positive method
Sonnenburg_Lab_qTOF_MS2_Spectra.msp
0.4022177474523641
0.2901387748035276
566.3816304
[M+H]+
1.2252904451362154 ppm
-6.939820000297914E-4 Da