Processed databases
Atom-Mass pairs
Outputs for Thiamine monophosphate; LC-ESI-IT; MS3; m/z: 345/122; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO009299
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: MS3
Instrument: LC/MSD Trap XCT, Agilent Technologies
Instrument type: LC-ESI-IT
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks: 382.1,388.6,
Replicated queried mass peaks: 81.1, 342.7,
Processing time: 0:00:02.246395
Results for the quried mass "80.1"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5O1 | 0.016 | 4 | 0 | C1,C3,C4,C8,C11,O20 |
| C3N1S1 | 0.012 | 2 | 0 | C3,C7,C11,N16,S22 |
| C3N1S1 | 0.012 | 2 | 0 | C3,C8,C11,N16,S22 |
| C3N1S1 | 0.012 | 2 | 0 | C6,C7,C11,N16,S22 |
| C3N1S1 | 0.012 | 2 | 0 | C6,C8,C11,N16,S22 |
| C3N1S1 | 0.012 | 2 | 0 | C6,C7,C8,N16,S22 |
| C3N1S1 | 0.012 | 2 | 0 | C6,C7,C10,N16,S22 |
| C3N1S1 | 0.012 | 2 | 1 | C7,C8,C11,N16,S22 |
| C3N1S1 | 0.012 | 2 | 0 | C1,C7,C8,N16,S22 |
| C3N1S1 | 0.012 | 2 | 0 | C1,C8,C11,N16,S22 |
| C3N3 | 0.032 | 2 | 0 | C5,C9,C12,N13,N14,N15 |
| C3N3 | 0.032 | 2 | 0 | C5,C10,C12,N13,N14,N15 |
| C3N3 | 0.032 | 2 | 0 | C6,C10,C12,N13,N15,N16 |
| C3N3 | 0.032 | 2 | 0 | C2,C9,C12,N13,N14,N15 |
| C3N3 | 0.032 | 2 | 0 | C9,C10,C12,N13,N14,N15 |
| C4O1N1 | 0.035 | 2 | 0 | C3,C4,C8,C11,N16,O20 |
| C4S1 | 0.008 | 0 | 0 | C3,C4,C7,C11,S22 |
| C4S1 | 0.008 | 0 | 0 | C3,C7,C8,C11,S22 |
| C4S1 | 0.008 | 0 | 0 | C3,C4,C8,C11,S22 |
| C5N1 | 0.008 | 6 | 2 | C3,C6,C8,C10,C11,N16 |
| C5N1 | 0.008 | 6 | 0 | C3,C4,C6,C8,C11,N16 |
| C5N1 | 0.008 | 6 | 1 | C3,C4,C7,C8,C11,N16 |
| C5N1 | 0.008 | 6 | 1 | C3,C6,C7,C8,C11,N16 |
| C5N1 | 0.008 | 6 | 2 | C5,C6,C7,C8,C10,N16 |
| C5N1 | 0.008 | 6 | 2 | C5,C6,C7,C10,C12,N16 |
| C5N1 | 0.008 | 6 | 2 | C5,C6,C9,C10,C12,N15 |
| C5N1 | 0.008 | 6 | 1 | C1,C6,C8,C10,C12,N16 |
| C5N1 | 0.008 | 6 | 1 | C1,C6,C8,C10,C11,N16 |
| C5N1 | 0.008 | 6 | 2 | C2,C5,C9,C10,C12,N14 |
| C4N2 | 0.012 | 4 | 0 | C5,C6,C7,C10,N14,N16 |
| C4N2 | 0.012 | 4 | 1 | C5,C6,C8,C10,N14,N16 |
| C4N2 | 0.012 | 4 | 0 | C5,C6,C9,C10,N14,N15 |
| C4N2 | 0.012 | 4 | 1 | C5,C6,C9,C10,N14,N16 |
| C4N2 | 0.012 | 4 | 0 | C5,C6,C10,C12,N13,N16 |
| C4N2 | 0.012 | 4 | 0 | C5,C6,C10,C12,N15,N16 |
| C4N2 | 0.012 | 4 | 1 | C5,C9,C10,C12,N13,N15 |
| C4N2 | 0.012 | 4 | 0 | C5,C6,C10,C12,N13,N15 |
| C4N2 | 0.012 | 4 | 0 | C5,C6,C10,C12,N13,N14 |
| C4N2 | 0.012 | 4 | 0 | C5,C6,C10,C12,N14,N15 |
| C4N2 | 0.012 | 4 | 1 | C5,C6,C10,C12,N14,N16 |
| C4N2 | 0.012 | 4 | 1 | C6,C9,C10,C12,N14,N15 |
| C4N2 | 0.012 | 4 | 0 | C6,C7,C10,C12,N13,N16 |
| C4N2 | 0.012 | 4 | 0 | C6,C7,C10,C12,N15,N16 |
| C4N2 | 0.012 | 4 | 1 | C6,C8,C10,C12,N13,N16 |
| C4N2 | 0.012 | 4 | 1 | C6,C8,C10,C12,N15,N16 |
| C4N2 | 0.012 | 4 | 0 | C6,C9,C10,C12,N13,N15 |
| C4N2 | 0.012 | 4 | 1 | C6,C9,C10,C12,N15,N16 |
| C4N2 | 0.012 | 4 | 0 | C2,C5,C9,C10,N14,N15 |
| C4N2 | 0.012 | 4 | 0 | C2,C9,C10,C12,N13,N15 |
| C4N2 | 0.012 | 4 | 0 | C2,C9,C10,C12,N14,N15 |