Processed databases
Atom-Mass pairs
Outputs for Creatinine; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
Database: Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research - UFZ GmbH, Leipzig, Germany
Entry ID: UF412504
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: LTQ Orbitrap XL Thermo Scientific
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 58.0652,
Processing time: 0:00:00.763516
Results for the quried mass "57.0335"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C2O1N1 | 0.018 | 3 | 0 | C2,C3,N6,O8 |
| C2N2 | 0.041 | 5 | 1 | C1,C4,N5,N7 |