Processed databases
Atom-Mass pairs
Outputs for Creatinine; LC-ESI-IT; MS2; m/z: 227.0; [2M+H]+
Database: Metabolon Inc.
Entry ID: MT000127
Synonyms: Creatinine
Total mass: 113.1176
Formula: H7 C4 O1 N3
Experimental information
MS type: MS2
Instrument: LTQ XL, Thermo Finnigan
Instrument type: LC-ESI-IT
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 114.9,
Processing time: 0:00:00.804391
Results for the quried mass "86.1"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C3O1N2 | 0.008 | 6 | 0 | C1,C2,C3,N6,N7,O8 |
| C3N3 | 0.015 | 8 | 2 | C1,C2,C4,N5,N6,N7 |