Spectrum CCMSLIB00000078673 for 16:0 PA (1,2-dihexadecanoyl-sn-glycero-3-phosphate (sodium salt))

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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
169051-60-9
C35H68NaO8P
670.454950046
[Na+].O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])O)CCCCCCCCCCCCCCC
InChI=1S/C35H69O8P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h33H,3-32H2,1-2H3,(H2,38,39,40);/q;+1/p-1/t33-;/m1./s1
BMBWFDPPCSTUSZ-MGDILKBHSA-M

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
Ion Trap
647.47
0
f.jkharbush/GNPS_JenanKharbush/16.0_PhosphatidicAcid_pos.mzXML;
MS2
GNPS-LIBRARY
Jenan Kharbush, Aluwihare, l2sanchez
positive
0.7591622095639199
0.12548688552672974
666.2
[M+NH4]+
33463.71967277094 ppm
-22.293530046 Da