Processed databases
Atom-Mass pairs
Outputs for Thiamine monophosphate; LC-ESI-QQ; MS2; CE:50 V; [M-2H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001942
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: NEGATIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 80.3, 97.1,
Processing time: 0:00:03.766833
Results for the quried mass "138.5"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C8N3 | 0.394 | 0 | 0 | C3,C5,C6,C8,C9,C10,C11,C12,N14,N15,N16 |
| C8N3 | 0.394 | 0 | 0 | C3,C4,C5,C6,C8,C9,C10,C11,N14,N15,N16 |
| C8N3 | 0.394 | 0 | 0 | C3,C4,C6,C8,C9,C10,C11,C12,N14,N15,N16 |
| C8N3 | 0.394 | 0 | 0 | C3,C5,C6,C7,C8,C9,C10,C11,N14,N15,N16 |
| C8N3 | 0.394 | 0 | 0 | C3,C5,C6,C8,C9,C10,C11,C12,N13,N14,N16 |
| C8N3 | 0.394 | 0 | 0 | C3,C6,C7,C8,C9,C10,C11,C12,N14,N15,N16 |
| C8N3 | 0.394 | 0 | 0 | C3,C4,C5,C6,C8,C10,C11,C12,N13,N14,N16 |
| C8N3 | 0.394 | 0 | 0 | C3,C4,C5,C6,C8,C10,C11,C12,N14,N15,N16 |
| C8N3 | 0.394 | 0 | 0 | C3,C4,C6,C8,C9,C10,C11,C12,N13,N15,N16 |
| C8N3 | 0.394 | 0 | 0 | C5,C6,C7,C8,C9,C10,C11,C12,N14,N15,N16 |
| C8N3 | 0.394 | 0 | 0 | C5,C6,C7,C8,C9,C10,C11,C12,N13,N14,N16 |
| C8N3 | 0.394 | 0 | 0 | C1,C5,C6,C8,C9,C10,C11,C12,N14,N15,N16 |
| C8N3 | 0.394 | 0 | 0 | C1,C5,C6,C8,C9,C10,C11,C12,N13,N14,N16 |
| C8N3 | 0.394 | 0 | 0 | C2,C5,C6,C8,C9,C10,C11,C12,N14,N15,N16 |
| C8N3 | 0.394 | 0 | 0 | C2,C5,C6,C8,C9,C10,C11,C12,N13,N14,N16 |
| C6N2S1 | 0.310 | 6 | 0 | C3,C6,C7,C10,C11,C12,N13,N16,S22 |
| C6N2S1 | 0.310 | 6 | 0 | C3,C5,C6,C7,C10,C11,N14,N16,S22 |
| C6N2S1 | 0.310 | 6 | 0 | C3,C6,C7,C10,C11,C12,N15,N16,S22 |
| C6N2S1 | 0.310 | 6 | 1 | C3,C5,C6,C8,C10,C11,N14,N16,S22 |
| C6N2S1 | 0.310 | 6 | 1 | C3,C6,C8,C10,C11,C12,N13,N16,S22 |
| C6N2S1 | 0.310 | 6 | 1 | C3,C6,C8,C10,C11,C12,N15,N16,S22 |
| C6N2S1 | 0.310 | 6 | 1 | C5,C6,C7,C10,C11,C12,N13,N16,S22 |
| C6N2S1 | 0.310 | 6 | 1 | C5,C6,C7,C10,C11,C12,N15,N16,S22 |
| C6N2S1 | 0.310 | 6 | 1 | C5,C6,C7,C9,C10,C12,N15,N16,S22 |
| C6N2S1 | 0.310 | 6 | 1 | C5,C6,C7,C8,C10,C12,N13,N16,S22 |
| C6N2S1 | 0.310 | 6 | 1 | C5,C6,C7,C8,C10,C12,N15,N16,S22 |
| C6N2S1 | 0.310 | 6 | 0 | C1,C5,C6,C7,C8,C10,N14,N16,S22 |
| C6N2S1 | 0.310 | 6 | 0 | C1,C5,C6,C8,C10,C11,N14,N16,S22 |
| C6N2S1 | 0.310 | 6 | 0 | C1,C6,C7,C8,C10,C12,N13,N16,S22 |
| C6N2S1 | 0.310 | 6 | 0 | C1,C6,C8,C10,C11,C12,N13,N16,S22 |
| C6N2S1 | 0.310 | 6 | 0 | C1,C6,C7,C8,C10,C12,N15,N16,S22 |
| C6N2S1 | 0.310 | 6 | 0 | C1,C6,C8,C10,C11,C12,N15,N16,S22 |
| C6N2S1 | 0.310 | 6 | 0 | C2,C5,C6,C7,C9,C10,N14,N16,S22 |
| C6N2S1 | 0.310 | 6 | 0 | C2,C6,C7,C9,C10,C12,N15,N16,S22 |
| C5O1P1S1 | 0.416 | 1 | 0 | C3,C4,C7,C8,C11,O20,P21,S22 |
| C5O1P1S1 | 0.416 | 1 | 0 | C1,C3,C4,C8,C11,O20,P21,S22 |
| C6O1N1P1 | 0.416 | 5 | 0 | C3,C4,C6,C8,C10,C11,N16,O20,P21 |
| C6O1N1P1 | 0.416 | 5 | 0 | C3,C4,C6,C7,C8,C11,N16,O20,P21 |
| C7N1S1 | 0.290 | 8 | 0 | C3,C4,C5,C6,C7,C10,C11,N16,S22 |
| C7N1S1 | 0.290 | 8 | 1 | C3,C4,C6,C7,C10,C11,C12,N16,S22 |
| C7N1S1 | 0.290 | 8 | 1 | C3,C4,C5,C6,C8,C10,C11,N16,S22 |
| C7N1S1 | 0.290 | 8 | 1 | C3,C4,C6,C7,C8,C10,C11,N16,S22 |
| C9N2 | 0.374 | 2 | 0 | C3,C4,C5,C6,C8,C9,C10,C11,C12,N15,N16 |
| C9N2 | 0.374 | 2 | 0 | C3,C4,C5,C6,C8,C9,C10,C11,C12,N14,N16 |
| C9N2 | 0.374 | 2 | 0 | C3,C4,C5,C6,C7,C8,C9,C10,C11,N14,N16 |
| C9N2 | 0.374 | 2 | 0 | C3,C4,C6,C7,C8,C9,C10,C11,C12,N15,N16 |
| C9N2 | 0.374 | 2 | 0 | C3,C5,C6,C7,C8,C9,C10,C11,C12,N15,N16 |
| C9N2 | 0.374 | 2 | 0 | C3,C5,C6,C7,C8,C9,C10,C11,C12,N14,N16 |
| C5O2N1P1 | 0.459 | 1 | 0 | C3,C4,C6,C8,C11,N16,O17,O20,P21 |
| C5O2N1P1 | 0.459 | 1 | 0 | C3,C4,C7,C8,C11,N16,O17,O20,P21 |
| C5O2N1P1 | 0.459 | 1 | 0 | C3,C4,C6,C8,C11,N16,O18,O20,P21 |
| C5O2N1P1 | 0.459 | 1 | 0 | C3,C4,C7,C8,C11,N16,O18,O20,P21 |
| C5O2N1P1 | 0.459 | 1 | 0 | C3,C4,C6,C8,C11,N16,O19,O20,P21 |
| C5O2N1P1 | 0.459 | 1 | 0 | C3,C4,C7,C8,C11,N16,O19,O20,P21 |
| C5O2N1P1 | 0.459 | 1 | 0 | C1,C3,C4,C8,C11,N16,O17,O20,P21 |
| C5O2N1P1 | 0.459 | 1 | 0 | C1,C3,C4,C8,C11,N16,O18,O20,P21 |
| C5O2N1P1 | 0.459 | 1 | 0 | C1,C3,C4,C8,C11,N16,O19,O20,P21 |
| C9O1N1 | 0.398 | 0 | 0 | C3,C4,C5,C6,C7,C8,C10,C11,C12,N16,O20 |
| C6O1N1S1 | 0.333 | 4 | 0 | C3,C4,C6,C7,C10,C11,N16,O20,S22 |
| C6O1N1S1 | 0.333 | 4 | 0 | C3,C4,C6,C7,C8,C11,N16,O20,S22 |
| C6O1N1S1 | 0.333 | 4 | 0 | C3,C4,C6,C8,C10,C11,N16,O20,S22 |
| C6O1N1S1 | 0.333 | 4 | 0 | C1,C3,C4,C7,C8,C11,N16,O20,S22 |
| C7N4 | 0.414 | 2 | 0 | C2,C5,C6,C7,C9,C10,C12,N13,N14,N15,N16 |
| C8O1N2 | 0.417 | 2 | 0 | C3,C4,C5,C6,C8,C9,C10,C11,N14,N16,O20 |
| C8O1N2 | 0.417 | 2 | 0 | C3,C4,C6,C8,C9,C10,C11,C12,N15,N16,O20 |
| C8O1N2 | 0.417 | 2 | 0 | C3,C4,C5,C6,C7,C8,C10,C11,N14,N16,O20 |
| C8O1N2 | 0.417 | 2 | 0 | C3,C4,C6,C7,C8,C10,C11,C12,N13,N16,O20 |
| C8O1N2 | 0.417 | 2 | 0 | C3,C4,C6,C7,C8,C10,C11,C12,N15,N16,O20 |
| C8O1N2 | 0.417 | 2 | 0 | C3,C4,C5,C6,C8,C10,C11,C12,N13,N16,O20 |
| C8O1N2 | 0.417 | 2 | 0 | C3,C4,C5,C6,C8,C10,C11,C12,N15,N16,O20 |
| C8O1N2 | 0.417 | 2 | 0 | C3,C4,C5,C6,C8,C10,C11,C12,N14,N16,O20 |
| C8O1N2 | 0.417 | 2 | 0 | C1,C3,C4,C5,C6,C8,C10,C11,N14,N16,O20 |
| C8O1N2 | 0.417 | 2 | 0 | C1,C3,C4,C6,C8,C10,C11,C12,N13,N16,O20 |
| C8O1N2 | 0.417 | 2 | 0 | C1,C3,C4,C6,C8,C10,C11,C12,N15,N16,O20 |
| C5N3S1 | 0.330 | 4 | 0 | C5,C6,C7,C9,C10,N14,N15,N16,S22 |
| C5N3S1 | 0.330 | 4 | 0 | C5,C6,C7,C10,C12,N13,N14,N16,S22 |
| C5N3S1 | 0.330 | 4 | 0 | C5,C6,C7,C10,C12,N13,N15,N16,S22 |
| C5N3S1 | 0.330 | 4 | 0 | C5,C6,C7,C10,C12,N14,N15,N16,S22 |
| C5N3S1 | 0.330 | 4 | 0 | C6,C7,C9,C10,C12,N14,N15,N16,S22 |
| C5N3S1 | 0.330 | 4 | 0 | C6,C7,C9,C10,C12,N13,N15,N16,S22 |
| C5N3S1 | 0.330 | 4 | 0 | C6,C7,C10,C11,C12,N13,N15,N16,S22 |
| C5N3S1 | 0.330 | 4 | 0 | C6,C8,C10,C11,C12,N13,N15,N16,S22 |
| C5N3S1 | 0.330 | 4 | 0 | C6,C7,C8,C10,C12,N13,N15,N16,S22 |