Processed databases
Atom-Mass pairs
Outputs for Thiamine monophosphate; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO004195
Synonyms: Thiamine monophosphate, Thiamin phosphate, Thiamine phosphate, Thiamin monophosphate, TMP
Total mass: 345.3338
Formula: C12 H18 O4 N4 P1 S1
Experimental information
MS type: MS2
Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 68.9, 81.2, 98.0, 99.2,
Processing time: 0:00:03.728068
Results for the quried mass "85.3"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C3O1P1 | 0.279 | 2 | 0 | C3,C4,C11,O20,P21 |
| C6N1 | 0.237 | 1 | 0 | C3,C5,C6,C8,C10,C11,N16 |
| C6N1 | 0.237 | 1 | 0 | C3,C6,C8,C10,C11,C12,N16 |
| C6N1 | 0.237 | 1 | 0 | C3,C4,C6,C8,C10,C11,N16 |
| C6N1 | 0.237 | 1 | 0 | C3,C6,C7,C8,C10,C11,N16 |
| C6N1 | 0.237 | 1 | 0 | C3,C4,C6,C7,C8,C11,N16 |
| C6N1 | 0.237 | 1 | 0 | C5,C6,C7,C8,C10,C11,N16 |
| C6N1 | 0.237 | 1 | 0 | C5,C6,C8,C10,C11,C12,N16 |
| C6N1 | 0.237 | 1 | 0 | C6,C7,C8,C10,C11,C12,N16 |
| C6N1 | 0.237 | 1 | 0 | C1,C6,C8,C10,C11,C12,N16 |
| C2O2P1 | 0.322 | 2 | 0 | C3,C4,O17,O20,P21 |
| C2O2P1 | 0.322 | 2 | 0 | C3,C4,O18,O20,P21 |
| C2O2P1 | 0.322 | 2 | 0 | C3,C4,O19,O20,P21 |
| C3N1S1 | 0.172 | 3 | 0 | C3,C7,C11,N16,S22 |
| C3N1S1 | 0.172 | 3 | 1 | C3,C8,C11,N16,S22 |
| C3N1S1 | 0.172 | 3 | 0 | C6,C7,C11,N16,S22 |
| C3N1S1 | 0.172 | 3 | 1 | C6,C8,C11,N16,S22 |
| C3N1S1 | 0.172 | 3 | 0 | C6,C7,C8,N16,S22 |
| C3N1S1 | 0.172 | 3 | 0 | C6,C7,C10,N16,S22 |
| C3N1S1 | 0.172 | 3 | 0 | C1,C7,C8,N16,S22 |
| C3N1S1 | 0.172 | 3 | 0 | C1,C8,C11,N16,S22 |
| C3O1S1 | 0.196 | 1 | 0 | C3,C4,C11,O20,S22 |
| C4S1 | 0.153 | 5 | 0 | C3,C4,C7,C11,S22 |
| C4S1 | 0.153 | 5 | 1 | C3,C4,C8,C11,S22 |