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Search the Metabolomics Workbench Metabolite database with a list of precursor ions
Ion adducts (choose at least one with appropriate polarity)
Positive mode:
[M+H]+
[M+H-H2O]+
[M+Na]+
[M+NH4]+
[M+K]+
[M+2H]2+
[M+2Na]2+
[M+2Na-H]+
[M+H-EtnP]+
[M+H-SerP]+
[M+H-Hexose]+
Negative mode:
[M-H]-
[M+Cl]-
[M+HCOO]-
[M+OAc]-
[M-CH3]-
[M+Na-2H]-
[M+K-2H]-
[M-2H]2-
[M-3H]3-
[M-H-Ser]-
Neutral:
Neutral
Search lipids only:
Sort by:
Exact Mass
Molecular Formula
Delta
Mass Tolerance (+/- m/z):
+/- 1.0 m/z
+/- 0.5 m/z
+/- 0.2 m/z
+/- 0.1 m/z
+/- 0.05 m/z
+/- 0.02 m/z
+/- 0.01 m/z
+/- 0.005 m/z
+/- 0.002 m/z
+/- 0.001 m/z
+/- 0.0005 m/z
+/- 0.0002 m/z
List of precursor ions :
496.4773 520.4013 522.3777 524.4802 675.6826 676.6461 689.6807 701.6923 703.6888 704.6431 705.6451 706.6284 717.7772 718.5522 729.7747
Or upload a peaklist file
Search the Metabolomics Workbench Metabolite Database with a mass (m/z) value
Search the database by entering an m/z value in the "Mass" input box and selecting an appropriate ion type and mass tolerance range.
Mass(m/z):
Ion:
[M+H]+
[M+H-H2O]+
[M+2H]2+
[M+3H]3+
[M+4H]4+
[M+K]+
[M+2K]2+
[M+Na]+
[M+2Na]2+
[M+Li]+
[M+2Li]2+
[M+NH4]+
[M+H+CH3CN]+
[M+Na+CH3CN]+
[M+NaFormate+H]+
[M+NH4Formate+H]+
[M.CH3]+
[M.TMSi]+(BSTFA)
[M.tBuDMSi]+(MTBSTFA)
[M-H]-
[M-H-H2O]-
[M+Na-2H]-
[M+K-2H]-
[M-2H]2-
[M-3H]3-
[M-4H]4-
[M+Cl]-
[M+F]-
[M+HF2]-
[M+OAc]-
[M+Formate]-
[M+NaFormate-H]-
[M+NH4Formate-H]-
M(neutral)
Mass Tolerance:
+/- 1.0 m/z
+/- 0.5 m/z
+/- 0.2 m/z
+/- 0.1 m/z
+/- 0.05 m/z
+/- 0.02 m/z
+/- 0.01 m/z
+/- 0.005 m/z
+/- 0.002 m/z
+/- 0.001 m/z
+/- 0.0005 m/z
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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