Predicted LC-MS/MS Spectrum - 40V, Negative (HMDB0040407)
Spectrum Details
HMDB ID: | HMDB0040407 |
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Compound name: | (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid |
Spectrum type: | Predicted LC-MS/MS Spectrum - 40V, Negative |
Splash Key: | splash10-002f-6910000000-931d08ad3d1a89f27d4e |
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: | 40 eV |
Instrument Type: | QTOF (generic), spectrum predicted by CFM-ID |
Mass Resolution: | 0.0001 Da |
Molecular Formula: | C12H12O5 |
Molecular Weight (Monoisotopic Mass): | 236.0685 Da |
Documentation
Document Description | Download | |
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List of m/z values for the spectrum (TXT) | Download file | 738 Bytes |
Generated list of m/z values for the spectrum (TXT-20190109-20465-TR9IJO) | Download file | 738 Bytes |
mzML formatted file (MZML) | Download file | 4.57 KB |
References
- Allen F, Greiner R, Wishart D: Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification. Metabolomics. 2015 11(1):98–110. doi: 10.1007/s11306-014-0676-4.