Processed databases
Atom-Mass pairs
Outputs for Thiamine monophosphate; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M]+
Database: Plant Science Center, RIKEN
Entry ID: PR100204
Synonyms: Thiamine monophosphate, TMP, Thiamine-P, Vitamin B1 phosphate, Aneurine monophosphate
Total mass: 345.3338
Formula: C12 H18 O4 N4 P1 S1
Experimental information
MS type: MS2
Instrument: UPLC Q-Tof Premier, Waters
Instrument type: LC-ESI-QTOF
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks:
Processing time: 0:00:01.737670
Results for the quried mass "81.0459"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5O1 | 0.046 | 5 | 0 | C1,C3,C4,C8,C11,O20 |
| C3O1P1 | 0.056 | 2 | 0 | C3,C4,C11,O20,P21 |
| C3N3 | 0.030 | 3 | 0 | C5,C9,C12,N13,N14,N15 |
| C3N3 | 0.030 | 3 | 0 | C2,C9,C12,N13,N14,N15 |
| C3N3 | 0.030 | 3 | 1 | C9,C10,C12,N13,N14,N15 |
| C3N3 | 0.030 | 3 | 0 | C5,C10,C12,N13,N14,N15 |
| C3N3 | 0.030 | 3 | 0 | C6,C10,C12,N13,N15,N16 |
| C3N1S1 | 0.050 | 1 | 0 | C3,C7,C11,N16,S22 |
| C3N1S1 | 0.050 | 1 | 0 | C3,C8,C11,N16,S22 |
| C3N1S1 | 0.050 | 1 | 0 | C6,C7,C11,N16,S22 |
| C3N1S1 | 0.050 | 1 | 0 | C6,C8,C11,N16,S22 |
| C3N1S1 | 0.050 | 1 | 0 | C6,C7,C8,N16,S22 |
| C3N1S1 | 0.050 | 1 | 0 | C6,C7,C10,N16,S22 |
| C3N1S1 | 0.050 | 1 | 0 | C7,C8,C11,N16,S22 |
| C3N1S1 | 0.050 | 1 | 0 | C1,C7,C8,N16,S22 |
| C3N1S1 | 0.050 | 1 | 0 | C1,C8,C11,N16,S22 |
| C4O1N1 | 0.027 | 3 | 0 | C3,C4,C8,C11,N16,O20 |
| C4S1 | 0.070 | 1 | 0 | C3,C4,C7,C11,S22 |
| C4S1 | 0.070 | 1 | 0 | C3,C7,C8,C11,S22 |
| C4S1 | 0.070 | 1 | 0 | C3,C4,C8,C11,S22 |
| C5N1 | 0.070 | 7 | 1 | C3,C4,C6,C8,C11,N16 |
| C5N1 | 0.070 | 7 | 2 | C3,C4,C7,C8,C11,N16 |
| C5N1 | 0.070 | 7 | 2 | C3,C6,C7,C8,C11,N16 |
| C5N1 | 0.070 | 7 | 2 | C1,C6,C8,C10,C12,N16 |
| C5N1 | 0.070 | 7 | 2 | C1,C6,C8,C10,C11,N16 |
| C4N2 | 0.050 | 5 | 1 | C5,C6,C7,C10,N14,N16 |
| C4N2 | 0.050 | 5 | 2 | C5,C6,C8,C10,N14,N16 |
| C4N2 | 0.050 | 5 | 1 | C5,C6,C9,C10,N14,N15 |
| C4N2 | 0.050 | 5 | 2 | C5,C6,C9,C10,N14,N16 |
| C4N2 | 0.050 | 5 | 1 | C5,C6,C10,C12,N13,N16 |
| C4N2 | 0.050 | 5 | 1 | C5,C6,C10,C12,N15,N16 |
| C4N2 | 0.050 | 5 | 2 | C5,C9,C10,C12,N13,N15 |
| C4N2 | 0.050 | 5 | 1 | C5,C6,C10,C12,N13,N14 |
| C4N2 | 0.050 | 5 | 1 | C5,C6,C10,C12,N14,N15 |
| C4N2 | 0.050 | 5 | 2 | C5,C6,C10,C12,N14,N16 |
| C4N2 | 0.050 | 5 | 2 | C6,C9,C10,C12,N14,N15 |
| C4N2 | 0.050 | 5 | 1 | C6,C7,C10,C12,N13,N16 |
| C4N2 | 0.050 | 5 | 1 | C6,C7,C10,C12,N15,N16 |
| C4N2 | 0.050 | 5 | 2 | C6,C8,C10,C12,N13,N16 |
| C4N2 | 0.050 | 5 | 2 | C6,C8,C10,C12,N15,N16 |
| C4N2 | 0.050 | 5 | 1 | C6,C9,C10,C12,N13,N15 |
| C4N2 | 0.050 | 5 | 2 | C6,C9,C10,C12,N15,N16 |
| C4N2 | 0.050 | 5 | 1 | C2,C9,C10,C12,N14,N15 |
| C4N2 | 0.050 | 5 | 0 | C2,C5,C9,C10,N14,N15 |