Predicted LC-MS/MS Spectrum - 20V, Negative (HMDB0249983)
Spectrum Details
HMDB ID: | HMDB0249983 |
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Compound name: | 2-[(1S,2S,4R)-2-Hydroxy-7,7-dimethyl-1-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]acetic acid |
Spectrum type: | Predicted LC-MS/MS Spectrum - 20V, Negative |
Splash Key: | splash10-0a4i-2200900000-08d9caee881c95e922a9 |
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: | Negative |
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Collision Energy: | 20 eV |
Instrument Type: | QTOF (generic), spectrum predicted by CFM-ID |
Mass Resolution: | 0.0001 Da |
Molecular Formula: | C25H33NO5S |
Molecular Weight (Monoisotopic Mass): | 459.2079 Da |
Documentation
Not Available
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 ]