Processed databases
Atom-Mass pairs
Outputs for 4-Aminoantipyrine; LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
Database: Department of Environmental Chemistry, Eawag
Entry ID: EA084501
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: 85.0762, 146.0602, 159.0919, 187.087,
Processing time: 0:00:02.237223
Results for the quried mass "173.0712"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C10N3 | 0.143 | 11 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,N12,N13,N14 |
| C9O1N3 | 0.100 | 7 | 0 | C1,C2,C5,C6,C7,C8,C9,C10,C11,N12,N13,N14,O15 |
| C9O1N3 | 0.100 | 7 | 0 | C1,C2,C4,C6,C7,C8,C9,C10,C11,N12,N13,N14,O15 |
| C9O1N3 | 0.100 | 7 | 0 | C1,C2,C3,C5,C7,C8,C9,C10,C11,N12,N13,N14,O15 |
| C9O1N3 | 0.100 | 7 | 0 | C1,C2,C3,C4,C6,C8,C9,C10,C11,N12,N13,N14,O15 |
| C9O1N3 | 0.100 | 7 | 0 | C2,C3,C4,C5,C6,C7,C9,C10,C11,N12,N13,N14,O15 |
| C10O1N2 | 0.120 | 9 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,C11,N13,N14,O15 |
| C10O1N2 | 0.120 | 9 | 0 | C1,C3,C4,C5,C6,C7,C8,C9,C10,C11,N12,N14,O15 |
| C11N3 | 0.059 | 1 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,C11,N12,N13,N14 |