Processed databases
Atom-Mass pairs
Outputs for Creatinine; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
Database: Critical Assessment of Small Molecule Identification 2016, Mass Spectrometry Society of Japan
Entry ID: SM868004
Synonyms: Creatinine, 2-Amino-3-methyl-4H-imidazol-5-one
Total mass: 113.1176
Formula: H7 C4 O1 N3
Experimental information
MS type: MS2
Instrument: Q Exactive Plus Orbitrap Thermo Scientific
Instrument type: LC-ESI-QFT
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 58.0653, 72.0445,
Processing time: 0:00:01.101418
Results for the quried mass "114.0662"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C4O1N3 | 0.059 | 8 | 1 | C1,C2,C3,C4,N5,N6,N7,O8 |