Processed databases
Atom-Mass pairs
Outputs for Xanthine; LC-ESI-IT; MS2; m/z: 153.1; [M+H]+
Database: Metabolon Inc.
Entry ID: MT000100
Synonyms: Xanthine
Total mass: 152.1107
Formula: H4 C5 O2 N4
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: 155.1,
Replicated queried mass peaks: 83.2, 87.2, 95.2, 101.2, 102.2, 107.1, 108.1, 110.1, 111.1, 121.1, 123.1, 125.2, 126.2, 133.4, 134.2, 136.1, 137.1, 153.0, 154.1,
Processing time: 0:00:01.535014
Results for the quried mass "133.0"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5O2N3 | 0.064 | 1 | 0 | C1,C2,C3,C4,C5,N7,N8,N9,O10,O11 |
| C5O2N3 | 0.064 | 1 | 0 | C1,C2,C3,C4,C5,N6,N7,N9,O10,O11 |
| C5O2N3 | 0.064 | 1 | 0 | C1,C2,C3,C4,C5,N6,N7,N8,O10,O11 |
| C5O1N4 | 0.088 | 1 | 0 | C1,C2,C3,C4,C5,N6,N7,N8,N9,O11 |
| C5O1N4 | 0.088 | 1 | 0 | C1,C2,C3,C4,C5,N6,N7,N8,N9,O10 |