Processed databases
Atom-Mass pairs
Outputs for Thiamine monophosphate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO004193
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: 81.1, 122.2,
Processing time: 0:00:04.772711
Results for the quried mass "168.2"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C7O1N2S1 | 0.016 | 8 | 0 | C3,C4,C5,C6,C7,C10,C11,N14,N16,O20,S22 |
| C7O1N2S1 | 0.016 | 8 | 0 | C3,C4,C6,C7,C10,C11,C12,N13,N16,O20,S22 |
| C7O1N2S1 | 0.016 | 8 | 0 | C3,C4,C6,C7,C10,C11,C12,N15,N16,O20,S22 |
| C7O1N2S1 | 0.016 | 8 | 1 | C3,C4,C5,C6,C8,C10,C11,N14,N16,O20,S22 |
| C7O1N2S1 | 0.016 | 8 | 1 | C3,C4,C6,C8,C10,C11,C12,N13,N16,O20,S22 |
| C7O1N2S1 | 0.016 | 8 | 1 | C3,C4,C6,C8,C10,C11,C12,N15,N16,O20,S22 |
| C6O1N1P1S1 | 0.067 | 3 | 0 | C3,C4,C6,C7,C10,C11,N16,O20,P21,S22 |
| C6O1N1P1S1 | 0.067 | 3 | 0 | C3,C4,C6,C7,C8,C11,N16,O20,P21,S22 |
| C6O1N1P1S1 | 0.067 | 3 | 0 | C3,C4,C6,C8,C10,C11,N16,O20,P21,S22 |
| C10N3 | 0.026 | 6 | 0 | C3,C4,C5,C6,C7,C8,C9,C10,C11,C12,N14,N15,N16 |
| C8O1N1S1 | 0.036 | 10 | 2 | C3,C4,C5,C6,C7,C8,C10,C11,N16,O20,S22 |
| C6N4S1 | 0.019 | 8 | 2 | C5,C6,C7,C9,C10,C12,N13,N14,N15,N16,S22 |
| C6N4S1 | 0.019 | 8 | 2 | C5,C6,C7,C10,C11,C12,N13,N14,N15,N16,S22 |
| C8N3S1 | 0.045 | 2 | 0 | C3,C5,C6,C7,C9,C10,C11,C12,N14,N15,N16,S22 |
| C8N3S1 | 0.045 | 2 | 0 | C3,C4,C5,C6,C7,C9,C10,C11,N14,N15,N16,S22 |
| C8N3S1 | 0.045 | 2 | 0 | C3,C4,C6,C7,C9,C10,C11,C12,N14,N15,N16,S22 |
| C8N3S1 | 0.045 | 2 | 0 | C3,C5,C6,C7,C8,C9,C10,C11,N14,N15,N16,S22 |
| C8N3S1 | 0.045 | 2 | 0 | C3,C5,C6,C7,C9,C10,C11,C12,N13,N14,N16,S22 |
| C8N3S1 | 0.045 | 2 | 0 | C3,C5,C6,C7,C8,C10,C11,C12,N13,N14,N16,S22 |
| C8N3S1 | 0.045 | 2 | 0 | C3,C5,C6,C7,C8,C10,C11,C12,N14,N15,N16,S22 |
| C8N3S1 | 0.045 | 2 | 0 | C3,C5,C6,C8,C9,C10,C11,C12,N14,N15,N16,S22 |
| C8N3S1 | 0.045 | 2 | 0 | C3,C6,C7,C8,C9,C10,C11,C12,N14,N15,N16,S22 |
| C8N3S1 | 0.045 | 2 | 0 | C3,C6,C7,C8,C9,C10,C11,C12,N13,N15,N16,S22 |
| C8N3S1 | 0.045 | 2 | 0 | C3,C4,C5,C6,C8,C9,C10,C11,N14,N15,N16,S22 |
| C8N3S1 | 0.045 | 2 | 0 | C3,C4,C6,C8,C9,C10,C11,C12,N14,N15,N16,S22 |
| C9O1N3 | 0.068 | 2 | 0 | C3,C4,C5,C6,C8,C9,C10,C11,C12,N14,N15,N16,O20 |
| C9O1N3 | 0.068 | 2 | 0 | C3,C4,C5,C6,C7,C8,C9,C10,C11,N14,N15,N16,O20 |
| C9O1N3 | 0.068 | 2 | 0 | C3,C4,C6,C7,C8,C9,C10,C11,C12,N14,N15,N16,O20 |
| C5O2N1P1S1 | 0.110 | 1 | 0 | C3,C4,C6,C7,C11,N16,O17,O20,P21,S22 |
| C5O2N1P1S1 | 0.110 | 1 | 0 | C3,C4,C7,C8,C11,N16,O17,O20,P21,S22 |
| C5O2N1P1S1 | 0.110 | 1 | 0 | C3,C4,C6,C7,C11,N16,O18,O20,P21,S22 |
| C5O2N1P1S1 | 0.110 | 1 | 0 | C3,C4,C7,C8,C11,N16,O18,O20,P21,S22 |
| C5O2N1P1S1 | 0.110 | 1 | 0 | C3,C4,C6,C7,C11,N16,O19,O20,P21,S22 |
| C5O2N1P1S1 | 0.110 | 1 | 0 | C3,C4,C7,C8,C11,N16,O19,O20,P21,S22 |
| C5O2N1P1S1 | 0.110 | 1 | 0 | C3,C4,C6,C8,C11,N16,O17,O20,P21,S22 |
| C5O2N1P1S1 | 0.110 | 1 | 0 | C3,C4,C6,C8,C11,N16,O18,O20,P21,S22 |
| C5O2N1P1S1 | 0.110 | 1 | 0 | C3,C4,C6,C8,C11,N16,O19,O20,P21,S22 |
| C8O1N4 | 0.088 | 0 | 0 | C3,C4,C6,C8,C9,C10,C11,C12,N13,N14,N15,N16,O20 |
| C8O1N4 | 0.088 | 0 | 0 | C3,C4,C5,C6,C8,C10,C11,C12,N13,N14,N15,N16,O20 |
| C3O4P1S1 | 0.092 | 5 | 0 | C3,C4,C11,O17,O18,O19,O20,P21,S22 |
| C7O2N1P1 | 0.090 | 7 | 0 | C3,C4,C5,C6,C8,C10,C11,N16,O17,O20,P21 |
| C7O2N1P1 | 0.090 | 7 | 0 | C3,C4,C6,C8,C10,C11,C12,N16,O17,O20,P21 |
| C7O2N1P1 | 0.090 | 7 | 0 | C3,C4,C5,C6,C8,C10,C11,N16,O18,O20,P21 |
| C7O2N1P1 | 0.090 | 7 | 0 | C3,C4,C6,C8,C10,C11,C12,N16,O18,O20,P21 |
| C7O2N1P1 | 0.090 | 7 | 0 | C3,C4,C5,C6,C8,C10,C11,N16,O19,O20,P21 |
| C7O2N1P1 | 0.090 | 7 | 1 | C3,C4,C6,C8,C10,C11,C12,N16,O19,O20,P21 |
| C7O2N1P1 | 0.090 | 7 | 0 | C3,C4,C6,C7,C8,C10,C11,N16,O17,O20,P21 |
| C7O2N1P1 | 0.090 | 7 | 0 | C3,C4,C6,C7,C8,C10,C11,N16,O18,O20,P21 |
| C7O2N1P1 | 0.090 | 7 | 0 | C3,C4,C6,C7,C8,C10,C11,N16,O19,O20,P21 |
| C6O3N1P1 | 0.133 | 3 | 0 | C3,C4,C6,C8,C10,C11,N16,O17,O18,O20,P21 |
| C6O3N1P1 | 0.133 | 3 | 0 | C3,C4,C6,C8,C10,C11,N16,O17,O19,O20,P21 |
| C6O3N1P1 | 0.133 | 3 | 0 | C3,C4,C6,C8,C10,C11,N16,O18,O19,O20,P21 |
| C9N2S1 | 0.025 | 0 | 0 | C3,C5,C6,C7,C8,C9,C10,C11,C12,N14,N16,S22 |
| C9N2S1 | 0.025 | 0 | 0 | C3,C5,C6,C7,C8,C9,C10,C11,C12,N15,N16,S22 |
| C9N2S1 | 0.025 | 0 | 0 | C3,C4,C5,C6,C7,C8,C9,C10,C11,N14,N16,S22 |
| C9N2S1 | 0.025 | 0 | 0 | C3,C4,C6,C7,C8,C9,C10,C11,C12,N15,N16,S22 |
| C9N4 | 0.045 | 4 | 0 | C3,C4,C5,C6,C8,C9,C10,C11,C12,N13,N14,N15,N16 |
| C9N4 | 0.045 | 4 | 0 | C3,C5,C6,C7,C8,C9,C10,C11,C12,N13,N14,N15,N16 |