LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated) (CDB005294)
Spectrum Details
| CDB ID: | CDB005294 |
|---|---|
| Compound name: | Theobromine |
| Spectrum type: | LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated) |
| Splash Key: | splash10-014l-9000000000-55968ca3e94ce5a05cfe View in MoNA |
Spectrum View
Experimental Conditions
| Sample Concentration: | 1.0 mM |
|---|---|
| Sample Mass: | 1.0 mg |
| Sample Assessment: | Excellent |
| Spectrum Assessment: | Excellent |
| Instrument Type: | Quattro_QQQ |
| Collision Energy Level: | high |
| Collision Energy Voltage: | 40 |
| Ionization Mode: | Positive |
Documentation
| Document Description | Download | |
|---|---|---|
| Spectra image with peak assignments (PNG) | Download file | 23.9 KB |
| List of m/z values for the spectrum (TXT) | Download file | 1.02 KB |
| Generated list of m/z values for the spectrum (TXT-20190109-20465-1APODOF) | Download file | 481 Bytes |
| Dissolution_of_Standard_Samples_for_MSMS_Protocol_SOP_020_v1 (DOC) | Download file | 49 KB |
| Conducting_MSMS_Experiments_Protocol_SOP_021_v2 (DOC) | Download file | 49.5 KB |
| mzML formatted file (MZML) | Download file | 4.2 KB |
References
- Wishart DS, Knox C, Guo AC, Eisner R, Young N, Gautam B, Hau DD, Psychogios N, Dong E, Bouatra S, Mandal R, Sinelnikov I, Xia J, Jia L, Cruz JA, Lim E, Sobsey CA, Shrivastava S, Huang P, Liu P, Fang L, Peng J, Fradette R, Cheng D, Tzur D, Clements M, Lewis A, De Souza A, Zuniga A, Dawe M, Xiong Y, Clive D, Greiner R, Nazyrova A, Shaykhutdinov R, Li L, Vogel HJ, Forsythe I: HMDB: a knowledgebase for the human metabolome. Nucleic Acids Res. 2009 Jan;37(Database issue):D603-10. doi: 10.1093/nar/gkn810. Epub 2008 Oct 25. [PubMed: 18953024 ]