Processed databases
Atom-Mass pairs
Outputs for Thiamine monophosphate; LC-ESI-IT; MS2; m/z: 345; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO009297
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: 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:
Replicated queried mass peaks: 98.0, 122.1, 124.1, 127.1, 206.9, 220.0, 224.0, 225.1, 231.2, 247.1, 328.1, 329.2, 344.2, 345.1,
Processing time: 0:00:05.739573
Results for the quried mass "161.1"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C9N1S1 | 0.123 | 7 | 0 | C3,C4,C5,C6,C7,C8,C10,C11,C12,N16,S22 |
| C7O1N2S1 | 0.061 | 1 | 0 | C3,C4,C5,C6,C7,C10,C11,N14,N16,O20,S22 |
| C7O1N2S1 | 0.061 | 1 | 0 | C3,C4,C6,C7,C10,C11,C12,N13,N16,O20,S22 |
| C7O1N2S1 | 0.061 | 1 | 0 | C3,C4,C6,C7,C10,C11,C12,N15,N16,O20,S22 |
| C7O1N2S1 | 0.061 | 1 | 0 | C3,C4,C5,C6,C8,C10,C11,N14,N16,O20,S22 |
| C7O1N2S1 | 0.061 | 1 | 0 | C3,C4,C6,C8,C10,C11,C12,N13,N16,O20,S22 |
| C7O1N2S1 | 0.061 | 1 | 0 | C3,C4,C6,C8,C10,C11,C12,N15,N16,O20,S22 |
| C8O1N1P1 | 0.003 | 4 | 0 | C3,C4,C5,C6,C7,C8,C10,C11,N16,O20,P21 |
| C8O1N1P1 | 0.003 | 4 | 0 | C3,C4,C5,C6,C8,C10,C11,C12,N16,O20,P21 |
| C8O1N1P1 | 0.003 | 4 | 0 | C3,C4,C6,C7,C8,C10,C11,C12,N16,O20,P21 |
| C8O1N1P1 | 0.003 | 4 | 0 | C1,C3,C4,C6,C8,C10,C11,C12,N16,O20,P21 |
| C5O2P1S1 | 0.038 | 6 | 0 | C3,C4,C7,C8,C11,O17,O20,P21,S22 |
| C5O2P1S1 | 0.038 | 6 | 0 | C3,C4,C7,C8,C11,O18,O20,P21,S22 |
| C5O2P1S1 | 0.038 | 6 | 1 | C3,C4,C7,C8,C11,O19,O20,P21,S22 |
| C5O2P1S1 | 0.038 | 6 | 0 | C1,C3,C4,C8,C11,O17,O20,P21,S22 |
| C5O2P1S1 | 0.038 | 6 | 0 | C1,C3,C4,C8,C11,O18,O20,P21,S22 |
| C5O2P1S1 | 0.038 | 6 | 0 | C1,C3,C4,C8,C11,O19,O20,P21,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C3,C4,C6,C7,C10,C11,C12,N13,N15,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C6,C7,C8,C9,C10,C11,C12,N14,N15,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C5,C6,C7,C8,C9,C10,C11,N14,N15,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C5,C6,C7,C8,C10,C11,C12,N13,N14,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C5,C6,C7,C8,C10,C11,C12,N14,N15,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C5,C6,C7,C9,C10,C11,C12,N14,N15,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C6,C7,C8,C9,C10,C11,C12,N13,N15,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C5,C6,C7,C9,C10,C11,C12,N13,N14,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C5,C6,C7,C8,C9,C10,C12,N14,N15,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C5,C6,C7,C8,C9,C10,C12,N13,N14,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C5,C6,C8,C9,C10,C11,C12,N14,N15,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C5,C6,C8,C9,C10,C11,C12,N13,N14,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C2,C5,C6,C7,C9,C10,C12,N14,N15,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C2,C5,C6,C7,C9,C10,C12,N13,N14,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C2,C6,C7,C9,C10,C11,C12,N13,N15,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C2,C6,C8,C9,C10,C11,C12,N13,N15,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C2,C6,C7,C9,C10,C11,C12,N14,N15,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C2,C6,C8,C9,C10,C11,C12,N14,N15,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C2,C5,C6,C7,C9,C10,C11,N14,N15,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C2,C5,C6,C8,C9,C10,C11,N14,N15,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C5,C6,C7,C9,C10,C11,C12,N13,N15,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C5,C6,C8,C9,C10,C11,C12,N13,N15,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C5,C6,C7,C8,C10,C11,C12,N13,N15,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C5,C6,C7,C8,C9,C10,C12,N13,N15,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C1,C5,C6,C7,C8,C9,C10,N14,N15,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C1,C5,C6,C8,C9,C10,C11,N14,N15,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C1,C6,C7,C8,C9,C10,C12,N14,N15,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C1,C6,C8,C9,C10,C11,C12,N14,N15,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C1,C6,C7,C8,C10,C11,C12,N13,N15,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C1,C5,C6,C7,C8,C10,C12,N13,N14,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C1,C5,C6,C8,C10,C11,C12,N13,N14,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C1,C5,C6,C7,C8,C10,C12,N14,N15,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C1,C5,C6,C8,C10,C11,C12,N14,N15,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C1,C6,C7,C8,C9,C10,C12,N13,N15,N16,S22 |
| C7N3S1 | 0.084 | 3 | 0 | C1,C6,C8,C9,C10,C11,C12,N13,N15,N16,S22 |
| C8O1N3 | 0.060 | 7 | 0 | C3,C4,C5,C6,C8,C9,C10,C11,N14,N15,N16,O20 |
| C8O1N3 | 0.060 | 7 | 0 | C3,C4,C6,C8,C9,C10,C11,C12,N14,N15,N16,O20 |
| C8O1N3 | 0.060 | 7 | 0 | C3,C4,C6,C7,C8,C10,C11,C12,N13,N15,N16,O20 |
| C8O1N3 | 0.060 | 7 | 0 | C3,C4,C6,C8,C9,C10,C11,C12,N13,N15,N16,O20 |
| C8O1N3 | 0.060 | 7 | 0 | C3,C4,C5,C6,C8,C10,C11,C12,N13,N14,N16,O20 |
| C8O1N3 | 0.060 | 7 | 0 | C3,C4,C5,C6,C8,C10,C11,C12,N14,N15,N16,O20 |
| C8O1N3 | 0.060 | 7 | 0 | C3,C4,C5,C6,C8,C10,C11,C12,N13,N15,N16,O20 |
| C8O1N3 | 0.060 | 7 | 0 | C1,C3,C4,C6,C8,C10,C11,C12,N13,N15,N16,O20 |
| C10N3 | 0.019 | 1 | 0 | C3,C4,C5,C6,C7,C8,C9,C10,C11,C12,N14,N15,N16 |
| C8N4 | 0.083 | 9 | 0 | C1,C2,C5,C6,C8,C9,C10,C12,N13,N14,N15,N16 |
| C5O4P1 | 0.028 | 6 | 0 | C1,C3,C4,C8,C11,O17,O18,O19,O20,P21 |
| C9N3 | 0.103 | 11 | 2 | C3,C4,C5,C6,C7,C8,C9,C10,C11,N14,N15,N16 |
| C4O3P1S1 | 0.004 | 2 | 0 | C3,C4,C7,C11,O17,O18,O20,P21,S22 |
| C4O3P1S1 | 0.004 | 2 | 0 | C3,C4,C7,C11,O17,O19,O20,P21,S22 |
| C4O3P1S1 | 0.004 | 2 | 0 | C3,C4,C7,C11,O18,O19,O20,P21,S22 |
| C4O4N1P1 | 0.048 | 4 | 0 | C3,C4,C8,C11,N16,O17,O18,O19,O20,P21 |
| C8N2S1 | 0.103 | 5 | 0 | C3,C4,C6,C7,C9,C10,C11,C12,N15,N16,S22 |
| C8N2S1 | 0.103 | 5 | 0 | C3,C4,C5,C6,C7,C9,C10,C11,N14,N16,S22 |
| C8N2S1 | 0.103 | 5 | 0 | C3,C4,C5,C6,C7,C8,C10,C11,N14,N16,S22 |
| C8N2S1 | 0.103 | 5 | 0 | C3,C4,C5,C6,C7,C10,C11,C12,N14,N16,S22 |
| C8N2S1 | 0.103 | 5 | 0 | C3,C4,C5,C6,C7,C10,C11,C12,N13,N16,S22 |
| C8N2S1 | 0.103 | 5 | 0 | C3,C4,C5,C6,C7,C10,C11,C12,N15,N16,S22 |
| C8N2S1 | 0.103 | 5 | 0 | C3,C4,C5,C6,C8,C9,C10,C11,N14,N16,S22 |
| C8N2S1 | 0.103 | 5 | 0 | C3,C4,C6,C7,C8,C10,C11,C12,N13,N16,S22 |
| C8N2S1 | 0.103 | 5 | 0 | C3,C4,C6,C7,C8,C10,C11,C12,N15,N16,S22 |
| C8N2S1 | 0.103 | 5 | 0 | C3,C4,C6,C8,C9,C10,C11,C12,N15,N16,S22 |
| C8N2S1 | 0.103 | 5 | 1 | C5,C6,C7,C8,C9,C10,C11,C12,N14,N16,S22 |
| C8N2S1 | 0.103 | 5 | 0 | C2,C5,C6,C7,C8,C9,C10,C11,N14,N16,S22 |
| C8N2S1 | 0.103 | 5 | 0 | C2,C5,C6,C7,C9,C10,C11,C12,N14,N16,S22 |
| C8N2S1 | 0.103 | 5 | 0 | C2,C5,C6,C8,C9,C10,C11,C12,N14,N16,S22 |
| C8N2S1 | 0.103 | 5 | 0 | C2,C6,C7,C8,C9,C10,C11,C12,N15,N16,S22 |
| C8N2S1 | 0.103 | 5 | 0 | C5,C6,C7,C8,C9,C10,C11,C12,N15,N16,S22 |
| C8N2S1 | 0.103 | 5 | 0 | C1,C5,C6,C7,C8,C9,C10,C11,N14,N16,S22 |
| C8N2S1 | 0.103 | 5 | 0 | C1,C6,C7,C8,C9,C10,C11,C12,N15,N16,S22 |
| C8N2S1 | 0.103 | 5 | 0 | C1,C5,C6,C7,C8,C10,C11,C12,N14,N16,S22 |
| C8N2S1 | 0.103 | 5 | 0 | C1,C5,C6,C7,C8,C9,C10,C12,N14,N16,S22 |
| C8N2S1 | 0.103 | 5 | 0 | C1,C5,C6,C8,C9,C10,C11,C12,N14,N16,S22 |
| C7O1N2P1 | 0.023 | 2 | 0 | C3,C4,C5,C6,C8,C10,C11,N14,N16,O20,P21 |
| C7O1N2P1 | 0.023 | 2 | 0 | C3,C4,C6,C8,C10,C11,C12,N13,N16,O20,P21 |
| C7O1N2P1 | 0.023 | 2 | 0 | C3,C4,C6,C8,C10,C11,C12,N15,N16,O20,P21 |
| C4O2N1P1S1 | 0.019 | 4 | 0 | C3,C4,C7,C11,N16,O17,O20,P21,S22 |
| C4O2N1P1S1 | 0.019 | 4 | 0 | C3,C4,C7,C11,N16,O18,O20,P21,S22 |
| C4O2N1P1S1 | 0.019 | 4 | 0 | C3,C4,C7,C11,N16,O19,O20,P21,S22 |
| C4O2N1P1S1 | 0.019 | 4 | 0 | C3,C4,C8,C11,N16,O17,O20,P21,S22 |
| C4O2N1P1S1 | 0.019 | 4 | 0 | C3,C4,C8,C11,N16,O18,O20,P21,S22 |
| C4O2N1P1S1 | 0.019 | 4 | 0 | C3,C4,C8,C11,N16,O19,O20,P21,S22 |
| C6N4S1 | 0.064 | 1 | 0 | C5,C6,C7,C9,C10,C12,N13,N14,N15,N16,S22 |
| C6N4S1 | 0.064 | 1 | 0 | C6,C7,C9,C10,C11,C12,N13,N14,N15,N16,S22 |
| C6N4S1 | 0.064 | 1 | 0 | C5,C6,C7,C10,C11,C12,N13,N14,N15,N16,S22 |
| C6N4S1 | 0.064 | 1 | 0 | C6,C7,C8,C9,C10,C12,N13,N14,N15,N16,S22 |
| C6N4S1 | 0.064 | 1 | 0 | C6,C8,C9,C10,C11,C12,N13,N14,N15,N16,S22 |
| C6N4S1 | 0.064 | 1 | 0 | C2,C6,C7,C9,C10,C12,N13,N14,N15,N16,S22 |
| C6N4S1 | 0.064 | 1 | 0 | C5,C6,C8,C10,C11,C12,N13,N14,N15,N16,S22 |
| C6N4S1 | 0.064 | 1 | 0 | C5,C6,C7,C8,C10,C12,N13,N14,N15,N16,S22 |
| C3O4P1S1 | 0.047 | 2 | 0 | C3,C4,C11,O17,O18,O19,O20,P21,S22 |
| C8O1N1S1 | 0.080 | 3 | 0 | C3,C4,C5,C6,C7,C8,C10,C11,N16,O20,S22 |
| C8O1N1S1 | 0.080 | 3 | 0 | C3,C4,C6,C7,C8,C10,C11,C12,N16,O20,S22 |
| C8O1N1S1 | 0.080 | 3 | 0 | C3,C4,C5,C6,C7,C10,C11,C12,N16,O20,S22 |
| C8O1N1S1 | 0.080 | 3 | 0 | C3,C4,C5,C6,C8,C10,C11,C12,N16,O20,S22 |
| C8O1N1S1 | 0.080 | 3 | 0 | C1,C3,C4,C6,C7,C8,C10,C11,N16,O20,S22 |
| C8O1N1S1 | 0.080 | 3 | 0 | C1,C3,C4,C6,C8,C10,C11,C12,N16,O20,S22 |
| C7O2N1P1 | 0.046 | 0 | 0 | C3,C4,C5,C6,C8,C10,C11,N16,O17,O20,P21 |
| C7O2N1P1 | 0.046 | 0 | 0 | C3,C4,C5,C6,C8,C10,C11,N16,O18,O20,P21 |
| C7O2N1P1 | 0.046 | 0 | 0 | C3,C4,C5,C6,C8,C10,C11,N16,O19,O20,P21 |
| C7O2N1P1 | 0.046 | 0 | 0 | C3,C4,C6,C8,C10,C11,C12,N16,O17,O20,P21 |
| C7O2N1P1 | 0.046 | 0 | 0 | C3,C4,C6,C8,C10,C11,C12,N16,O18,O20,P21 |
| C7O2N1P1 | 0.046 | 0 | 0 | C3,C4,C6,C8,C10,C11,C12,N16,O19,O20,P21 |
| C7O2N1P1 | 0.046 | 0 | 0 | C3,C4,C6,C7,C8,C10,C11,N16,O17,O20,P21 |
| C7O2N1P1 | 0.046 | 0 | 0 | C3,C4,C6,C7,C8,C10,C11,N16,O18,O20,P21 |
| C7O2N1P1 | 0.046 | 0 | 0 | C3,C4,C6,C7,C8,C10,C11,N16,O19,O20,P21 |
| C7O2N1P1 | 0.046 | 0 | 0 | C1,C3,C4,C6,C8,C10,C11,N16,O17,O20,P21 |
| C7O2N1P1 | 0.046 | 0 | 0 | C1,C3,C4,C6,C8,C10,C11,N16,O18,O20,P21 |
| C7O2N1P1 | 0.046 | 0 | 0 | C1,C3,C4,C6,C8,C10,C11,N16,O19,O20,P21 |
| C5O1N1P1S1 | 0.062 | 8 | 1 | C3,C4,C6,C7,C11,N16,O20,P21,S22 |
| C5O1N1P1S1 | 0.062 | 8 | 2 | C3,C4,C6,C8,C11,N16,O20,P21,S22 |
| C5O1N1P1S1 | 0.062 | 8 | 1 | C1,C3,C4,C8,C11,N16,O20,P21,S22 |
| C5O3N1P1 | 0.005 | 8 | 0 | C3,C4,C6,C8,C11,N16,O17,O18,O20,P21 |
| C5O3N1P1 | 0.005 | 8 | 1 | C3,C4,C7,C8,C11,N16,O17,O18,O20,P21 |
| C5O3N1P1 | 0.005 | 8 | 1 | C3,C4,C6,C8,C11,N16,O17,O19,O20,P21 |
| C5O3N1P1 | 0.005 | 8 | 1 | C3,C4,C6,C8,C11,N16,O18,O19,O20,P21 |
| C9O1N2 | 0.080 | 9 | 1 | C3,C4,C5,C6,C8,C9,C10,C11,C12,N15,N16,O20 |
| C9O1N2 | 0.080 | 9 | 2 | C3,C4,C5,C6,C8,C9,C10,C11,C12,N14,N16,O20 |
| C9O1N2 | 0.080 | 9 | 1 | C3,C4,C5,C6,C7,C8,C9,C10,C11,N14,N16,O20 |
| C9O1N2 | 0.080 | 9 | 1 | C3,C4,C6,C7,C8,C9,C10,C11,C12,N15,N16,O20 |
| C9O1N2 | 0.080 | 9 | 1 | C3,C4,C5,C6,C7,C8,C10,C11,C12,N14,N16,O20 |
| C9O1N2 | 0.080 | 9 | 0 | C2,C3,C4,C5,C6,C8,C9,C10,C11,N14,N16,O20 |
| C9O1N2 | 0.080 | 9 | 0 | C2,C3,C4,C6,C8,C9,C10,C11,C12,N15,N16,O20 |
| C9O1N2 | 0.080 | 9 | 0 | C3,C4,C5,C6,C7,C8,C10,C11,C12,N13,N16,O20 |
| C9O1N2 | 0.080 | 9 | 0 | C3,C4,C5,C6,C7,C8,C10,C11,C12,N15,N16,O20 |
| C9O1N2 | 0.080 | 9 | 0 | C1,C3,C4,C5,C6,C8,C9,C10,C11,N14,N16,O20 |
| C9O1N2 | 0.080 | 9 | 0 | C1,C3,C4,C6,C8,C9,C10,C11,C12,N15,N16,O20 |
| C9O1N2 | 0.080 | 9 | 0 | C1,C3,C4,C5,C6,C8,C10,C11,C12,N14,N16,O20 |