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) (Non-derivatized)
Splash Key:splash10-05nf-6900000000-8670a644cee5d9de78d4 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:194
Retention Index:1872.2
Retention Time:457.516
Notes
Documentation
Document DescriptionDownloadFile Size
MassBank Record (TXT)Download file1.69 KB
Generated list of m/z values for the spectrum (TXT)Download file1.12 KB
mzML formatted file (MZML)Download file5.51 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 ] [PR010011 ]