Predicted LC-MS/MS Spectrum - 20V, Positive (M2MDB001076)

Spectrum Details
ECMDB ID:ECMDB20231
Compound name:3-Hydroxyadipyl-CoA
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Positive
Splash Key:splash10-004i-1000400291-82d0d2cd53ed14c77b50 View in MoNA
Notes:This is a predicted spectrum and it should only be used as a guide, further evidence is required to confirm identification.
Spectrum View
Image
Relative Intensity
20406080100
20406080100050100150200250300350400450500550600650700750800850900
050100150200250300350400450500550600650700750800850900
m/z
Experimental Conditions
Ionization Mode:Positive
Collision Energy:20 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C27H44N7O20P3S
Molecular Weight (Monoisotopic Mass):911.1575 Da
Molecular Weight (Avergae Mass):911.659 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrumDownload file
Peak assignmentsDownload file
mzML formatted fileDownload file
References
  1. 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 ]