Processed databases
Atom-Mass pairs
Outputs for 4-Aminoantipyrine; LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
Database: Department of Environmental Chemistry, Eawag
Entry ID: EA084514
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: 85.076, 131.0605, 132.0444, 146.0601, 159.0918, 186.1026, 189.0897,
Processing time: 0:00:02.197846
Results for the quried mass "169.0759"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C10N3 | 0.106 | 7 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,N12,N13,N14 |
| C9O1N3 | 0.064 | 3 | 0 | C1,C2,C5,C6,C7,C8,C9,C10,C11,N12,N13,N14,O15 |
| C9O1N3 | 0.064 | 3 | 0 | C1,C2,C4,C6,C7,C8,C9,C10,C11,N12,N13,N14,O15 |
| C9O1N3 | 0.064 | 3 | 0 | C1,C2,C3,C5,C7,C8,C9,C10,C11,N12,N13,N14,O15 |
| C9O1N3 | 0.064 | 3 | 0 | C1,C2,C3,C4,C6,C8,C9,C10,C11,N12,N13,N14,O15 |
| C9O1N3 | 0.064 | 3 | 0 | C2,C3,C4,C5,C6,C7,C9,C10,C11,N12,N13,N14,O15 |
| C10O1N2 | 0.083 | 5 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,C11,N13,N14,O15 |
| C10O1N2 | 0.083 | 5 | 0 | C1,C3,C4,C5,C6,C7,C8,C9,C10,C11,N12,N14,O15 |