Processed databases
Atom-Mass pairs
Related entries (identical compound):
KO009297
KO009298
KO009299
PR100609
PR100204
KO001940
KO001941
KO001942
KO009300
KO001939
KO004195
KO004191
KO004192
KO004193
KO004194
KO001938
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
Structure file (with ALATIS unique atom labels)
Experimental information
MS type: MS2Instrument: 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
Queried mass list: ['97.000', '99.100', '105.100', '120.900', '123.100', '126.000', '134.100', '138.100', '149.000', '161.100', '164.100', '167.100', '175.000', '189.000', '206.100', '218.200', '223.300', '230.100', '241.200', '245.100', '248.100', '252.900', '265.200', '269.000', '274.200', '304.200', '308.100', '312.400', '324.500', '327.200', '336.900', '343.400']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 97.0 (link to fragments) | 9 | 34 |
| 99.1 (link to fragments) | 8 | 53 |
| 105.1 (link to fragments) | 9 | 80 |
| 120.9 (link to fragments) | 13 | 77 |
| 123.1 (link to fragments) | 13 | 80 |
| 126.0 (link to fragments) | 14 | 91 |
| 134.1 (link to fragments) | 15 | 107 |
| 138.1 (link to fragments) | 15 | 111 |
| 149.0 (link to fragments) | 16 | 110 |
| 161.1 (link to fragments) | 22 | 144 |
| 164.1 (link to fragments) | 24 | 151 |
| 167.1 (link to fragments) | 22 | 116 |
| 175.0 (link to fragments) | 3 | 3 |
| 189.0 | No match found! | No match found! |
| 206.1 (link to fragments) | 1 | 1 |
| 218.2 | No match found! | No match found! |
| 223.3 | No match found! | No match found! |
| 230.1 | No match found! | No match found! |
| 241.2 | No match found! | No match found! |
| 245.1 | No match found! | No match found! |
| 248.1 | No match found! | No match found! |
| 252.9 | No match found! | No match found! |
| 265.2 | No match found! | No match found! |
| 269.0 | No match found! | No match found! |
| 274.2 | No match found! | No match found! |
| 304.2 (link to fragments) | 1 | 1 |
| 308.1 (link to fragments) | 1 | 1 |
| 312.4 (link to fragments) | 3 | 5 |
| 324.5 (link to fragments) | 3 | 6 |
| 327.2 (link to fragments) | 4 | 7 |
| 336.9 (link to fragments) | 1 | 1 |
| 343.4 (link to fragments) | 1 | 1 |