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 "126.0392"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C4O1P1S1 | 0.034 | 1 | 0 | C3,C4,C7,C11,O20,P21,S22 |
| C4O1P1S1 | 0.034 | 1 | 0 | C3,C4,C8,C11,O20,P21,S22 |
| C8N2 | 0.076 | 2 | 0 | C3,C4,C5,C6,C8,C9,C10,C11,N14,N16 |
| C8N2 | 0.076 | 2 | 0 | C3,C4,C6,C8,C9,C10,C11,C12,N15,N16 |
| C8N2 | 0.076 | 2 | 0 | C3,C5,C6,C8,C9,C10,C11,C12,N14,N16 |
| C8N2 | 0.076 | 2 | 0 | C3,C5,C6,C7,C8,C9,C10,C11,N14,N16 |
| C8N2 | 0.076 | 2 | 0 | C3,C5,C6,C8,C9,C10,C11,C12,N15,N16 |
| C8N2 | 0.076 | 2 | 0 | C3,C6,C7,C8,C9,C10,C11,C12,N15,N16 |
| C8N2 | 0.076 | 2 | 0 | C3,C4,C5,C6,C8,C10,C11,C12,N13,N16 |
| C8N2 | 0.076 | 2 | 0 | C3,C4,C5,C6,C8,C10,C11,C12,N15,N16 |
| C8N2 | 0.076 | 2 | 0 | C3,C4,C5,C6,C8,C10,C11,C12,N14,N16 |
| C8N2 | 0.076 | 2 | 0 | C3,C4,C5,C6,C7,C8,C10,C11,N14,N16 |
| C8N2 | 0.076 | 2 | 0 | C3,C4,C6,C7,C8,C10,C11,C12,N13,N16 |
| C8N2 | 0.076 | 2 | 0 | C3,C4,C6,C7,C8,C10,C11,C12,N15,N16 |
| C8N2 | 0.076 | 2 | 0 | C3,C5,C6,C7,C8,C10,C11,C12,N13,N16 |
| C8N2 | 0.076 | 2 | 0 | C3,C5,C6,C7,C8,C10,C11,C12,N15,N16 |
| C8N2 | 0.076 | 2 | 0 | C3,C5,C6,C7,C8,C10,C11,C12,N14,N16 |
| C8N2 | 0.076 | 2 | 0 | C5,C6,C7,C8,C9,C10,C11,C12,N15,N16 |
| C8N2 | 0.076 | 2 | 0 | C5,C6,C7,C8,C9,C10,C11,C12,N14,N16 |
| C8N2 | 0.076 | 2 | 0 | C1,C5,C6,C8,C9,C10,C11,C12,N14,N16 |
| C8N2 | 0.076 | 2 | 0 | C2,C5,C6,C8,C9,C10,C11,C12,N14,N16 |
| C5N2S1 | 0.140 | 6 | 2 | C5,C6,C7,C10,C11,N14,N16,S22 |
| C5N2S1 | 0.140 | 6 | 2 | C5,C6,C7,C9,C10,N14,N16,S22 |
| C5N2S1 | 0.140 | 6 | 1 | C5,C6,C7,C10,C12,N13,N16,S22 |
| C5N2S1 | 0.140 | 6 | 1 | C5,C6,C7,C10,C12,N15,N16,S22 |
| C5N2S1 | 0.140 | 6 | 2 | C5,C6,C7,C8,C10,N14,N16,S22 |
| C5N2S1 | 0.140 | 6 | 2 | C5,C6,C7,C10,C12,N14,N16,S22 |
| C5N2S1 | 0.140 | 6 | 2 | C6,C7,C10,C11,C12,N13,N16,S22 |
| C5N2S1 | 0.140 | 6 | 2 | C6,C7,C10,C11,C12,N15,N16,S22 |
| C5N2S1 | 0.140 | 6 | 2 | C6,C7,C9,C10,C12,N15,N16,S22 |
| C5N2S1 | 0.140 | 6 | 2 | C6,C7,C8,C10,C12,N13,N16,S22 |
| C5N2S1 | 0.140 | 6 | 2 | C6,C7,C8,C10,C12,N15,N16,S22 |
| C4N3S1 | 0.120 | 4 | 0 | C6,C7,C10,C12,N13,N15,N16,S22 |
| C7N3 | 0.056 | 0 | 0 | C3,C6,C8,C9,C10,C11,C12,N14,N15,N16 |
| C7N3 | 0.056 | 0 | 0 | C3,C5,C6,C8,C9,C10,C11,N14,N15,N16 |
| C7N3 | 0.056 | 0 | 0 | C3,C5,C6,C8,C10,C11,C12,N13,N14,N16 |
| C7N3 | 0.056 | 0 | 0 | C3,C5,C6,C8,C10,C11,C12,N14,N15,N16 |
| C7N3 | 0.056 | 0 | 0 | C3,C6,C8,C9,C10,C11,C12,N13,N15,N16 |
| C7N3 | 0.056 | 0 | 0 | C3,C4,C6,C8,C10,C11,C12,N13,N15,N16 |
| C7N3 | 0.056 | 0 | 0 | C5,C6,C8,C9,C10,C11,C12,N14,N15,N16 |
| C7N3 | 0.056 | 0 | 0 | C5,C6,C7,C8,C9,C10,C12,N14,N15,N16 |
| C7N3 | 0.056 | 0 | 0 | C5,C6,C7,C8,C9,C10,C11,N14,N15,N16 |
| C7N3 | 0.056 | 0 | 0 | C5,C6,C8,C9,C10,C11,C12,N13,N14,N16 |
| C7N3 | 0.056 | 0 | 0 | C5,C6,C8,C9,C10,C11,C12,N13,N15,N16 |
| C7N3 | 0.056 | 0 | 0 | C5,C6,C7,C8,C9,C10,C12,N13,N14,N16 |
| C7N3 | 0.056 | 0 | 0 | C5,C6,C7,C8,C10,C11,C12,N13,N14,N16 |
| C7N3 | 0.056 | 0 | 0 | C5,C6,C7,C8,C10,C11,C12,N14,N15,N16 |
| C7N3 | 0.056 | 0 | 0 | C5,C6,C7,C8,C9,C10,C12,N13,N15,N16 |
| C7N3 | 0.056 | 0 | 0 | C5,C6,C7,C8,C10,C11,C12,N13,N15,N16 |
| C7N3 | 0.056 | 0 | 0 | C6,C7,C8,C9,C10,C11,C12,N14,N15,N16 |
| C7N3 | 0.056 | 0 | 0 | C6,C7,C8,C9,C10,C11,C12,N13,N15,N16 |
| C7N3 | 0.056 | 0 | 0 | C1,C5,C6,C8,C9,C10,C12,N14,N15,N16 |
| C7N3 | 0.056 | 0 | 0 | C1,C5,C6,C8,C9,C10,C12,N13,N14,N16 |
| C7N3 | 0.056 | 0 | 0 | C1,C5,C6,C8,C9,C10,C11,N14,N15,N16 |
| C7N3 | 0.056 | 0 | 0 | C1,C6,C8,C9,C10,C11,C12,N14,N15,N16 |
| C7N3 | 0.056 | 0 | 0 | C1,C5,C6,C8,C10,C11,C12,N13,N14,N16 |
| C7N3 | 0.056 | 0 | 0 | C1,C5,C6,C8,C10,C11,C12,N14,N15,N16 |
| C7N3 | 0.056 | 0 | 0 | C1,C6,C8,C9,C10,C11,C12,N13,N15,N16 |
| C7N3 | 0.056 | 0 | 0 | C2,C6,C8,C9,C10,C11,C12,N13,N15,N16 |
| C7N3 | 0.056 | 0 | 0 | C2,C6,C8,C9,C10,C11,C12,N14,N15,N16 |
| C7N3 | 0.056 | 0 | 0 | C2,C5,C6,C8,C9,C10,C11,N14,N15,N16 |
| C8O1N1 | 0.052 | 0 | 0 | C3,C4,C5,C6,C7,C8,C10,C11,N16,O20 |
| C8O1N1 | 0.052 | 0 | 0 | C3,C4,C6,C7,C8,C10,C11,C12,N16,O20 |
| C8O1N1 | 0.052 | 0 | 0 | C3,C4,C5,C6,C8,C10,C11,C12,N16,O20 |
| C8O1N1 | 0.052 | 0 | 0 | C1,C3,C4,C6,C8,C10,C11,C12,N16,O20 |
| C4O2N1P1 | 0.009 | 1 | 0 | C3,C4,C8,C11,N16,O17,O20,P21 |
| C4O2N1P1 | 0.009 | 1 | 0 | C3,C4,C8,C11,N16,O18,O20,P21 |
| C4O2N1P1 | 0.009 | 1 | 0 | C3,C4,C8,C11,N16,O19,O20,P21 |
| C4O3P1 | 0.032 | 1 | 0 | C3,C4,C8,C11,O17,O18,O20,P21 |
| C4O3P1 | 0.032 | 1 | 0 | C3,C4,C8,C11,O17,O19,O20,P21 |
| C4O3P1 | 0.032 | 1 | 0 | C3,C4,C8,C11,O18,O19,O20,P21 |
| C6N1S1 | 0.160 | 8 | 2 | C3,C5,C6,C7,C10,C11,N16,S22 |
| C6N1S1 | 0.160 | 8 | 1 | C3,C4,C6,C7,C10,C11,N16,S22 |
| C6N1S1 | 0.160 | 8 | 2 | C3,C4,C6,C8,C10,C11,N16,S22 |
| C6N1S1 | 0.160 | 8 | 1 | C3,C4,C6,C7,C8,C11,N16,S22 |
| C6N1S1 | 0.160 | 8 | 2 | C1,C6,C7,C8,C10,C11,N16,S22 |
| C6N1S1 | 0.160 | 8 | 2 | C1,C6,C7,C8,C10,C12,N16,S22 |
| C2O4P1 | 0.009 | 7 | 1 | C3,C4,O17,O18,O19,O20,P21 |
| C5O1N1P1 | 0.034 | 5 | 0 | C3,C4,C6,C8,C11,N16,O20,P21 |
| C5O1N1P1 | 0.034 | 5 | 0 | C3,C4,C7,C8,C11,N16,O20,P21 |
| C5O1N1P1 | 0.034 | 5 | 0 | C1,C3,C4,C8,C11,N16,O20,P21 |
| C5O2P1 | 0.011 | 3 | 0 | C1,C3,C4,C8,C11,O17,O20,P21 |
| C5O2P1 | 0.011 | 3 | 0 | C1,C3,C4,C8,C11,O18,O20,P21 |
| C5O2P1 | 0.011 | 3 | 0 | C1,C3,C4,C8,C11,O19,O20,P21 |
| C5O1N1S1 | 0.117 | 4 | 0 | C3,C4,C6,C7,C11,N16,O20,S22 |
| C5O1N1S1 | 0.117 | 4 | 0 | C3,C4,C7,C8,C11,N16,O20,S22 |
| C5O1N1S1 | 0.117 | 4 | 0 | C3,C4,C6,C8,C11,N16,O20,S22 |
| C5O1N1S1 | 0.117 | 4 | 0 | C1,C3,C4,C8,C11,N16,O20,S22 |