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Spectrum Details
T3DB ID:T3D4595
Compound name:Caproic acid
Spectrum type:LC-MS/MS Spectrum - Quattro_QQQ 40V, Negative (Annotated)
Splash Key:splash10-02t9-1900000000-36096ef7dfebaa193910 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:Negative
Documentation
Document DescriptionDownload
Spectra image with peak assignments (PNG)Download file13.7 KB
List of m/z values for the spectrum (TXT)Download file533 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-D0T9GL)Download file272 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 file4.26 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 ]