Spectrum Details
T3DB ID:T3D2712
Compound Name:Caffeine
Derivative IUPAC Name:Not Available
Derivative SMILES:Not Available
Derivative InChIKey:Not Available
Spectrum Type:GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (0 TMS)
Splash Key:splash10-0536-3900000000-a9e112713ffae6dabdaa View in MoNA
Spectrum View
Experimental Conditions
Instrument Type:GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies)
Ionization Mode:Positive
Chromatography Type:GC
Base Peak:109
Retention Index:2379.4
Retention Time:1063.86
Column Type:DB-17MS
Derivative Type:0 TMS
Notes
Documentation
Document DescriptionDownloadFile Size
MassBank Record (TXT)Download file1.52 KB
Generated list of m/z values for the spectrum (TXT)Download file892 Bytes
mzML formatted file (MZML)Download file5.19 KB
References
  1. Horai H, Arita M, Kanaya S, Nihei Y, Ikeda T, Suwa K, Ojima Y, Tanaka K, Tanaka S, Aoshima K, Oda Y, Kakazu Y, Kusano M, Tohge T, Matsuda F, Sawada Y, Hirai MY, Nakanishi H, Ikeda K, Akimoto N, Maoka T, Takahashi H, Ara T, Sakurai N, Suzuki H, Shibata D, Neumann S, Iida T, Tanaka K, Funatsu K, Matsuura F, Soga T, Taguchi R, Saito K, Nishioka T: MassBank: a public repository for sharing mass spectral data for life sciences. J Mass Spectrom. 2010 Jul;45(7):703-14. doi: 10.1002/jms.1777. [PubMed: 20623627 ] [KZ000017 ]