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 "224.0169"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C11N4S1 | 0.224 | 4 | 0 | C1,C2,C3,C5,C6,C7,C8,C9,C10,C11,C12,N13,N14,N15,N16,S22 |
| C6O4N1P1S1 | 0.177 | 11 | 1 | C1,C3,C4,C7,C8,C11,N16,O17,O18,O19,O20,P21,S22 |
| C7O4N1P1S1 | 0.093 | 1 | 0 | C1,C3,C4,C6,C7,C8,C11,N16,O17,O18,O19,O20,P21,S22 |