Top Tweets for #Metlin
METLIN 960K is now integrated into the Mass Analytica MARS platform.
Empirical MS/MS spectra from ~960,000 authentic standards.
Not predicted. Not crowdsourced.
Experimental data at scale.
https://t.co/LNPMX8Reu7
#Metabolomics #METLIN
Publication: https://t.co/VHryTkoyHD
A new concept in MRM generation — adaptive modeling of tandem MS data using spline fitting of absolute intensities.
Now in @An_Chemistry (open access): https://t.co/m6Ej6OrA3L
Empirical MRM transitions for 960K compounds → METLIN 960K MRM.
#MassSpec #METLIN #AIinScience
@grok @venice_mind @PhysInHistory @JCPEREZCODEX '#METLIN #MS2/#METLIN-CCS/#MS2DB/#IQAMDB + QUIC + CCS Boost','#CNNs + Torque + Feedback',
'#CE/#GINv2.0+#bioSpa8 + Kyber + Auto-Align','#MetaboAnalyst6.0/#MS2MP/#Omicsformer + Torque + Quant Loop',
A free version just posted—courtesy of @Nature and @JaviGBermudez on cancer lipidomics.
https://t.co/4NR1YNwusx
Lipidomics (via #XCMS/#METLIN) reveals α-tocopherol (vitamin E) as a key player in mediating cancer cell death.
#Lipidomics #CancerResearch #Ferroptosis #VitaminE
Lipidomics (& #METLIN) reveal a metabolic vulnerability in tumors @Nature
https://t.co/T93OxcCSrf
Tumors don’t just synthesize their own lipids—they scavenge antioxidant-rich lipoproteins. @JaviGBermudez w/ our lab's lipidomics uncover how this can be used to impair tumor growth
Lipidomics (& #METLIN) reveal a metabolic vulnerability in tumors @Nature
https://t.co/T93OxcCSrf
Tumors don’t just synthesize their own lipids—they scavenge antioxidant-rich lipoproteins. @JaviGBermudez w/ our lab's lipidomics uncover how this can be used to impair tumor growth
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. https://t.co/zVdiv1eMsi
@Molsystbio https://t.co/GPuEtyAYMg
The simplistic beauty of #XCMS-#METLIN precursor ion filtering combined with MS/MS matching to deconvolve data on 935K+ molecular standards to a couple of hits
@MolSystBiol
https://t.co/GPuEtyAYMg
XCMS-METLIN local for your PC now available at https://t.co/QDQw91JRYQ
@JuliJivanisevic @tAnaSci @MartinGiera @scrippsresearch @UniLeidenNews There is a way using #METLIN but it is computationally resource intensive. Although that being said, this is only the first go round for such a solution.
@MartinGiera @Popher Numerous papers detail how #METLIN’s data is acquired @naturemethods @an_chem and also showing its consistency across platforms (@MartinGiera https://t.co/FPZmni99qL)
In early 2000s, when METLIN began, 0eV MS/MS data was incorporated into #METLIN to help address the ISF issue
Mass spectrometry data re-interpretation @NatMetabolism. #METLIN's 931K molecular stds data was mined at 0eV CE showing >70% LCMS peaks are in-source fragments (ISF). Shifting how small molecule LCMS data is deciphered #metabolomics @an_chem @MartinGiera https://t.co/SY7tFLRbVG
@guillermogoya @AlmeidaPP_ @bcarabante Eliminan a los gestores que han creado el sector, pequeñas empresas con unos 4500 trabajadores que se irán al #paro y @almeida pone a sus amiguitos #Aznsr jr, su mujer y a #metlin properties. Con el beneplácito de @bcarabante
@miradacriticat5 @AlmeidaPP_ Esto lo dice todo del problema de la vivienda. @AlmeidaPP_ concede licencias a edificios completos de uso residencial a Duque de #alba y a #Metlin properties donde trabaja su esposa. Ah, Aznar Jr gestiona los de #Alba
Feedback on #METLIN >120,000 CCS values @naturemethods @ErinBakerIMS has been very useful. https://t.co/xKkx1meBkt
Some astute users even noticed that the average CCS values of a small subset of molecules were absent.
This has been rectified https://t.co/zVdiv1eMsi
70% of LC/MS peaks being ISF fragments (determined from the #METLIN MS/MS data analysis of 930,000 molecular standards), has multiple positive outcomes for #pharma #metabolomics #lipidomics…
• Far fewer unknowns
• MS/MS of ISF is MS3
• MS/MS 0eV via #METLIN can predict ISF occurence https://t.co/ctK3FVeUSo @An_Chem
70% of the peaks in LC/MS data is noise, whether it is derived from endogenous or exogenous molecules. An interesting outcome from our recent analysis of the MS/MS data from over 930,000 endogenous and exogenous molecules in #METLIN at 0eV.
Only 30% total peaks from molecular ions and 70% from ISF, this 70% might explain the "dark matter" @naturemethods https://t.co/ic4QxrWuTx
@Lange_Lab I absolutely agree @lange_lab. And that’s how we’ve been using ISF by deciphering it w #METLIN for annotation @an_chem
https://t.co/N0seQ9vSOS
And multiple other papers.
Unfortunately most programs still treat it as intact molecular ions and therein lies the major problem.
Not so scary, if anything a relief. We are actively using #METLIN to decipher ISF of drug molecules and metabolites. Intensity does vary with source conditions but I believe the information is largely decipherable. What is really scary is all the work out there over these many years that have been deciphering the “dark matter” and treating them like real molecules
70% of the peaks in LC/MS data is noise, whether it is derived from endogenous or exogenous molecules. An interesting outcome from our recent analysis of the MS/MS data from over 930,000 endogenous and exogenous molecules in #METLIN at 0eV.
Only 30% total peaks from molecular ions and 70% from ISF, this 70% might explain the "dark matter" @naturemethods https://t.co/ic4QxrWuTx
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