Spectrum Details
T3DB ID:T3D2712
Compound name:Caffeine
Spectrum type:LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)
Splash Key:splash10-000i-1900000000-5e3b29de16ad91c79fe0 View in MoNA
Spectrum View
Experimental Conditions
Sample Assessment:Excellent
Spectrum Assessment:Excellent
Instrument Type:Quattro_QQQ
Collision Energy Level:med
Collision Energy Voltage:25
Ionization Mode:Positive
Documentation
Document DescriptionDownload
Spectra image with peak assignments (PNG)Download file16.3 KB
List of m/z values for the spectrum (TXT)Download file2.11 KB
Generated list of m/z values for the spectrum (TXT-20190109-20465-ZIPJAE)Download file939 Bytes
Dissolution_of_Standard_Samples_for_MSMS_Protocol_SOP_020_v1 (DOC)Download file49 KB
Conducting_MSMS_Experiments_Protocol_SOP_021_v2 (DOC)Download file49.5 KB
mzML formatted file (MZML)Download file4.41 KB
References
  1. 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 ]