Processed databases
Atom-Mass pairs
Outputs for Thiamine monophosphate; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-2H]-
Database: Plant Science Center, RIKEN
Entry ID: PR100609
Synonyms: Thiamine monophosphate, TMP, Thiamine-P, Vitamin B1 phosphate, Monophosphothiamine, 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: NEGATIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks:
Processing time: 0:00:03.039637
Results for the quried mass "96.9714"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C4N1S1 | 0.167 | 3 | 0 | C3,C6,C7,C11,N16,S22 |
| C4N1S1 | 0.167 | 3 | 0 | C3,C7,C8,C11,N16,S22 |
| C4N1S1 | 0.167 | 3 | 0 | C3,C4,C7,C11,N16,S22 |
| C4N1S1 | 0.167 | 3 | 0 | C3,C6,C8,C11,N16,S22 |
| C4N1S1 | 0.167 | 3 | 0 | C3,C4,C8,C11,N16,S22 |
| C4N1S1 | 0.167 | 3 | 0 | C5,C6,C7,C10,N16,S22 |
| C4N1S1 | 0.167 | 3 | 0 | C6,C7,C8,C11,N16,S22 |
| C4N1S1 | 0.167 | 3 | 0 | C6,C7,C10,C11,N16,S22 |
| C4N1S1 | 0.167 | 3 | 0 | C6,C7,C10,C12,N16,S22 |
| C4N1S1 | 0.167 | 3 | 1 | C6,C8,C10,C11,N16,S22 |
| C4N1S1 | 0.167 | 3 | 0 | C6,C7,C8,C10,N16,S22 |
| C4N1S1 | 0.167 | 3 | 0 | C1,C7,C8,C11,N16,S22 |
| C5S1 | 0.187 | 5 | 0 | C3,C4,C7,C8,C11,S22 |
| C4O1P1 | 0.060 | 2 | 0 | C3,C4,C8,C11,O20,P21 |
| C7N1 | 0.102 | 1 | 0 | C3,C4,C5,C6,C8,C10,C11,N16 |
| C7N1 | 0.102 | 1 | 0 | C3,C4,C6,C8,C10,C11,C12,N16 |
| C7N1 | 0.102 | 1 | 0 | C3,C5,C6,C8,C10,C11,C12,N16 |
| C7N1 | 0.102 | 1 | 0 | C3,C5,C6,C7,C8,C10,C11,N16 |
| C7N1 | 0.102 | 1 | 0 | C3,C6,C7,C8,C10,C11,C12,N16 |
| C7N1 | 0.102 | 1 | 0 | C3,C4,C6,C7,C8,C10,C11,N16 |
| C7N1 | 0.102 | 1 | 0 | C5,C6,C7,C8,C10,C11,C12,N16 |
| C1O3P1 | 0.059 | 6 | 2 | C4,O17,O18,O20,P21 |
| C4N3 | 0.147 | 7 | 2 | C5,C6,C10,C12,N13,N15,N16 |
| C4N3 | 0.147 | 7 | 2 | C5,C6,C10,C12,N13,N14,N15 |
| C4N3 | 0.147 | 7 | 2 | C6,C7,C10,C12,N13,N15,N16 |
| C5O1N1 | 0.143 | 7 | 1 | C3,C4,C6,C8,C11,N16,O20 |
| C5O1N1 | 0.143 | 7 | 2 | C3,C4,C7,C8,C11,N16,O20 |
| C5O1N1 | 0.143 | 7 | 0 | C1,C3,C4,C8,C11,N16,O20 |
| C4O1S1 | 0.144 | 1 | 0 | C3,C4,C7,C11,O20,S22 |
| C4O1S1 | 0.144 | 1 | 0 | C3,C4,C8,C11,O20,S22 |