title: Structural determination of hexadecanoic lysophosphatidylcholine regioisomers by fast atom bombardment tandem mass spectrometry.
abstract: The structural determination of sn-1 and sn-2 hexadecanoic lysophosphatidylcholine (LPC) regioisomers was carried out using fast atom bombardment tandem mass spectrometry (FAB-MS/MS). The collision-induced dissociation (CID) of protonated and sodiated molecules produced diverse product ions due mainly to charge remote fragmentations. Based on the information obtained from the CID spectra of protonated and sodiated molecules, sn-1 and sn-2 hexadecanoic LPC isomers could be discriminated. Especially, the abundance ratio of the diagnostic ion pair [m/z 224/226] in the CID spectra of [M + H](+) ions was shown to be greatly different. Moreover, the CID-MS/MS spectra of sodium-adducted molecules for hexadecanoic LPC isomers showed characteristic product ions such as [M + Na - 103](+), [M + Na - 85](+), and [M + Na - 59](+), by which their regio-specificity can be differentiated.
authors.affiliation: Hazardous Substance Research Team, Korea Basic Science Institute, Seoul 136-701, Korea. jongki@kbsi.re.kr
authors.forename: Jongki
authors.initials: J
authors.lastname: Hong
authors.forename: Young Hwan
authors.initials: YH
authors.lastname: Kim
authors.forename: Ji Hye
authors.initials: JH
authors.lastname: Gil
authors.forename: Kun
authors.initials: K
authors.lastname: Cho
authors.forename: Jee H
authors.initials: JH
authors.lastname: Jung
authors.forename: So-Yeop
authors.initials: SY
authors.lastname: Han
mesh_terms: D008244:Lysophosphatidylcholines / Q000138:chemical synthesis / Q000737:chemistry*; D015394:Molecular Structure; D016339:Spectrometry, Mass, Fast Atom Bombardment / Q000379:methods*
chemical_list: C470482:1-hydroxy-2-hexadecanoyl-sn-glycero-3-phosphocholine; D008244:Lysophosphatidylcholines