Processed databases
Atom-Mass pairs
Outputs for 4-Aminoantipyrine; LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
Database: Department of Environmental Chemistry, Eawag
Entry ID: EA084504
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, 130.0652, 146.0599, 159.0916, 189.0896,
Processing time: 0:00:02.623628
Results for the quried mass "68.0495"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C2O1N2 | 0.015 | 0 | 0 | C8,C11,N13,N14,O15 |
| C2O1N2 | 0.015 | 0 | 0 | C9,C11,N13,N14,O15 |
| C2O1N2 | 0.015 | 0 | 0 | C10,C11,N13,N14,O15 |
| C2O1N2 | 0.015 | 0 | 0 | C10,C11,N12,N14,O15 |
| C2O1N2 | 0.015 | 0 | 0 | C2,C11,N13,N14,O15 |
| C2N3 | 0.008 | 2 | 0 | C8,C10,N12,N13,N14 |
| C2N3 | 0.008 | 2 | 0 | C10,C11,N12,N13,N14 |
| C4O1 | 0.024 | 4 | 1 | C1,C8,C10,C11,O15 |
| C3N2 | 0.028 | 4 | 2 | C4,C6,C9,N13,N14 |
| C3N2 | 0.028 | 4 | 2 | C5,C7,C9,N13,N14 |
| C3N2 | 0.028 | 4 | 2 | C6,C7,C9,N13,N14 |
| C3N2 | 0.028 | 4 | 1 | C1,C8,C9,N13,N14 |
| C3N2 | 0.028 | 4 | 1 | C1,C8,C11,N13,N14 |
| C3N2 | 0.028 | 4 | 2 | C8,C10,C11,N12,N14 |
| C3N2 | 0.028 | 4 | 1 | C1,C8,C10,N13,N14 |
| C3N2 | 0.028 | 4 | 0 | C1,C8,C10,N12,N13 |
| C3N2 | 0.028 | 4 | 2 | C9,C10,C11,N12,N14 |
| C3N2 | 0.028 | 4 | 2 | C8,C10,C11,N12,N13 |
| C3O1N1 | 0.005 | 2 | 1 | C6,C9,C11,N14,O15 |
| C3O1N1 | 0.005 | 2 | 1 | C7,C9,C11,N14,O15 |
| C3O1N1 | 0.005 | 2 | 2 | C8,C10,C11,N14,O15 |
| C3O1N1 | 0.005 | 2 | 0 | C8,C10,C11,N12,O15 |
| C3O1N1 | 0.005 | 2 | 2 | C8,C10,C11,N13,O15 |
| C3O1N1 | 0.005 | 2 | 2 | C9,C10,C11,N14,O15 |