Predicted LC-MS/MS Spectrum - 10V, Positive (HMDB0242335)
Spectrum Details
HMDB ID: | HMDB0242335 |
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Compound name: | (1R,4R,4'R,5S,5'S,6R,6'S,7R,9R,11R,12R,13S,14S)-12-[(3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-4-ethyl-5,5',6,11-tetrahydroxy-4'-methoxy-4',5,6',7,9,11,13-heptamethylspiro[3,15,17-trioxabicyclo[12.4.0]octadecane-16,2'-oxane]-2,8-dione |
Spectrum type: | Predicted LC-MS/MS Spectrum - 10V, Positive |
Splash Key: | splash10-0002-0000000900-9731914ea8bc790e0ac6 |
Notes: | This is a predicted spectrum and it should only be used as a guide, further evidence is required to confirm identification. |
Spectrum View
Experimental Conditions
Ionization Mode: | Positive |
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Collision Energy: | 10 eV |
Instrument Type: | QTOF (generic), spectrum predicted by CFM-ID |
Mass Resolution: | 0.0001 Da |
Molecular Formula: | C37H65NO14 |
Molecular Weight (Monoisotopic Mass): | 747.4405 Da |
Documentation
Document Description | Download | |
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Generated list of m/z values for the spectrum (TSV) | Download file | 894 Bytes |
Peak assignments (TSV) | Download file | 5.58 KB |
mzML formatted file (MZML) | Download file | 5.16 KB |
References
- Wang F, Liigand J, Tian S, Arndt D, Greiner R, and Wishart D. CFM-ID 4.0: More Accurate ESI MS/MS Spectral Prediction and Compound Identification. Analytical Chemistry202193 (34), 11692-11700 DOI: 10.1021/acs.analchem.1c01465 [PubMed: 34403256 ]