Deciphering the Microbiome: Targeted LC/MS/MS Analysis of Bi

[Lesovik985]

Dear Forum members,
I have a project for bile acids analysis and I come upon the app note from Agilent: Deciphering the Microbiome: Targeted LC/MS/MS Analysis of Bile Acids in
Biological Samples



I have a hard time getting MRM list from the localc distributor. Could you please help me?

Thanks!

[JMB]

An on-line search brings up the Agilent application note, and on Page 4 you will find Table 1.

Columns 8 & 9 of this Table show the precursor and fragment ion, respectively, for each bile acid!!

[S_G]

You can also search some online databases for specific molecules and their spectra under different ionization and fragmentation conditions to select specific precursor and product ions. The example below is taurocholic acid.

Massbank.eu
https://massbank.eu/MassBank/search?com ... olic+acid

GNPS
https://library.gnps2.org/
taurocholic acid SMILES
C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

Keep in mind you'll need to optimize fragmentor voltage for sensitivity of the precursor ion, then optimize the collision energy for each fragment.