GC-MS Spectrum - Caffeine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (0 TMS) (HMDB0001847)
Spectrum Details
| HMDB ID: | HMDB0001847 |
|---|---|
| Compound Name: | Caffeine |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | Not Available |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | GC-MS Spectrum - Caffeine 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 Description | Download | File Size |
|---|---|---|
| MassBank Record (TXT) | Download file | 1.52 KB |
| Generated list of m/z values for the spectrum (TXT) | Download file | 892 Bytes |
| mzML formatted file (MZML) | Download file | 5.18 KB |
References
- 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 ]