Processed databases
Atom-Mass pairs
Outputs for 4-Aminoantipyrine; LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
Database: Department of Environmental Chemistry, Eawag
Entry ID: EA084513
Synonyms: 4-Aminoantipyrine, 4-amino-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one
Total mass: 203.2399
Formula: H13 C11 O1 N3
Experimental information
MS type: MS2
Instrument: LTQ Orbitrap XL Thermo Scientific
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 58.0651, 85.076, 92.0495, 93.0573, 95.0491, 104.0495, 105.0447, 117.0572, 130.0651, 132.0807, 146.0601, 160.0869,
Processing time: 0:00:02.512627
Results for the quried mass "53.0385"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C2O1N1 | 0.019 | 1 | 1 | C9,C11,N14,O15 |
| C2O1N1 | 0.019 | 1 | 1 | C10,C11,N14,O15 |
| C2O1N1 | 0.019 | 1 | 0 | C10,C11,N12,O15 |
| C2N2 | 0.004 | 1 | 0 | C6,C9,N13,N14 |
| C2N2 | 0.004 | 1 | 0 | C7,C9,N13,N14 |
| C2N2 | 0.004 | 1 | 1 | C8,C9,N13,N14 |
| C2N2 | 0.004 | 1 | 1 | C8,C11,N13,N14 |
| C2N2 | 0.004 | 1 | 0 | C1,C8,N13,N14 |
| C2N2 | 0.004 | 1 | 1 | C8,C10,N13,N14 |
| C2N2 | 0.004 | 1 | 0 | C8,C10,N12,N13 |
| C2N2 | 0.004 | 1 | 1 | C9,C11,N13,N14 |
| C2N2 | 0.004 | 1 | 1 | C10,C11,N13,N14 |
| C2N2 | 0.004 | 1 | 0 | C10,C11,N12,N14 |
| C3N1 | 0.024 | 3 | 1 | C4,C6,C9,N14 |
| C3N1 | 0.024 | 3 | 1 | C5,C7,C9,N14 |
| C3N1 | 0.024 | 3 | 2 | C6,C9,C11,N14 |
| C3N1 | 0.024 | 3 | 1 | C6,C7,C9,N14 |
| C3N1 | 0.024 | 3 | 2 | C7,C9,C11,N14 |
| C3N1 | 0.024 | 3 | 0 | C1,C8,C10,N12 |
| C3N1 | 0.024 | 3 | 1 | C8,C10,C11,N12 |
| C3N1 | 0.024 | 3 | 0 | C1,C8,C10,N13 |
| C3O1 | 0.001 | 1 | 1 | C8,C10,C11,O15 |
| C4 | 0.044 | 5 | 2 | C3,C4,C6,C9 |
| C4 | 0.044 | 5 | 2 | C3,C5,C7,C9 |
| C4 | 0.044 | 5 | 1 | C3,C4,C5,C7 |
| C4 | 0.044 | 5 | 1 | C3,C4,C5,C6 |
| C4 | 0.044 | 5 | 2 | C4,C6,C7,C9 |
| C4 | 0.044 | 5 | 2 | C5,C6,C7,C9 |
| C4 | 0.044 | 5 | 2 | C1,C8,C10,C11 |