Quantitative Systems Pharmacology (QSP)
Clear, authoritative overview from PK/PD & mechanistic models to AI and regulatory use. A landmark resource for QSP, PK/PD, and translational modeling Erica Bradshaw & @Mary_Spilker

Amazon: a.co/d/fZfZBSW
link.springer.com/book/10.1007...

In response to the multiple requests on how MRM generation works (without standards) from the MS/MS data, here it is step by step.
Analytical Chemistry (open access article)
doi.org/10.1021/acs....

MRM generation using adaptive modeling of tandem MS data. A simple concept that allows for MRM analysis without the need for standards.
• Especially useful for preclinical metabolites, that have no standards.
Analytical Chemistry (open access article)
pubs.acs.org/doi/10.1021/...

Lipidomics (& #METLIN) reveal a metabolic vulnerability in tumors @Nature doi.org/10.1038/s415...

Tumors don’t just synthesize their own lipids—they scavenge antioxidant-rich lipoproteins. @JaviGBermudez with our lab's lipidomics uncover how this can be used to impair tumor growth

An AI BioSync rendition of METLIN 960K as a dot matrix. Celebrating the creation of METLIN with 960,000 molecular standards, and going live in its original classic form - reengineered.

🔗 Sign in for access: metlin.scripps.edu/auth-login.h...

📖 Read more: DOI: 10.1002/ansa.70012

Unexpected growth on the #METLIN front, now reaching 960K molecular standards with MS/MS natural product additions. 960K METLIN currently available online via XCMS-METLIN. xcmsonline.scripps.edu
@Molsystbio doi.org/10.1038/s443...

“Because they wouldn’t let me give it away”

my answer when people ask why did I not publish AMMS with a publishing house.

Free PDF at Scripps Research:
masspec.scripps.edu/about/mass-s...

Royalty-free print version at Amazon ($15.08):
a.co/d/8dEWO8a

The central message behind our two recent papers in @NatMetabolism @MolSystBiol

•• If you can’t identify it with XCMS-METLIN,
highly likely it is ISF (in-source fragmentation) ••

Both papers are open access
www.nature.com/articles/s42...
www.embopress.org/doi/full/10....

The simplicity of precursor ion filtering combined with MS/MS matching to deconvolve data on XCMS-METLIN's 935K+ molecular standards @MolSystBiol doi.org/10.1038/s443...
XCMS-METLIN local now available at massconsortium.com

Twenty years in the making, the #XCMS-METLIN integrated platform is now available with the complete #METLIN MS/MS 935K+ molecular standards database.
Available as a local version on your own personal computer.
For information visit massconsortium.com