Spectrum Details
MiMe ID:MMDBc0000393
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:splash10-052f-0900000000-f1084acfddb240696073 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
Retention Time:724.344
Column Type:CP-SIL 8 CB LOW BLEED/MS
Notes
Documentation
Document DescriptionDownloadFile Size
MassBank Record (TXT)Download file2.17 KB
Generated list of m/z values for the spectrum (TXT)Download file886 Bytes
mzML formatted file (MZML)Download file5.18 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 ] [OUF00133 ]