Spectrum Details
MiMe ID:MMDBc0000395
Compound name:3-Methylxanthine
Spectrum type:LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)
Splash Key:splash10-0006-9100000000-e21e77b88dfb9995efdd View in MoNA
Spectrum View
Experimental Conditions
Sample Assessment:Excellent
Spectrum Assessment:Excellent
Instrument Type:Quattro_QQQ
Collision Energy Level:high
Collision Energy Voltage:40
Ionization Mode:Positive
Documentation
Document DescriptionDownload
Spectra image with peak assignments (PNG)Download file18.4 KB
List of m/z values for the spectrum (TXT)Download file3.17 KB
Generated list of m/z values for the spectrum (TXT-20190109-20465-SI0X72)Download file1.42 KB
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 file4.59 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 ]